smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000547937697 837716719 /nfs/dbraw/zinc/71/67/19/837716719.db2.gz CUBGJSXTNXIZGO-WDEREUQCSA-N -2 3 387.885 3.952 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)ccc1OC(C)C ZINC000326709771 836914261 /nfs/dbraw/zinc/91/42/61/836914261.db2.gz YQCAKJNYAVYQRT-UHFFFAOYSA-N -2 3 383.853 3.935 20 0 GHADHL O=C(N=c1[n-]nc([C@@H]2CCCc3ccccc32)s1)c1cc(-c2ccco2)[n-]n1 ZINC000432598069 843252652 /nfs/dbraw/zinc/25/26/52/843252652.db2.gz AAXWEKLPDSDUBU-CQSZACIVSA-N -2 3 391.456 3.664 20 0 GHADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)ccc1[O-] ZINC000481466986 861448970 /nfs/dbraw/zinc/44/89/70/861448970.db2.gz ROIUXRQBOGTCPL-UHFFFAOYSA-N -2 3 398.440 3.944 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(Br)c(C)c(C(=O)[O-])c2)cc1 ZINC000317716760 843834951 /nfs/dbraw/zinc/83/49/51/843834951.db2.gz UIOLVURKDBIHPJ-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1nc(C=Cc2cn(-c3ccccc3)nc2C(C)(C)C)[n-]c(=O)c1CC(=O)[O-] ZINC000504729759 850277279 /nfs/dbraw/zinc/27/72/79/850277279.db2.gz KMAKCRNYRRLCHG-KHPPLWFESA-N -2 3 392.459 3.771 20 0 GHADHL Cc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)c([O-])c1 ZINC000436535757 852026653 /nfs/dbraw/zinc/02/66/53/852026653.db2.gz ODQZPDMRXOSZSW-UHFFFAOYSA-N -2 3 382.441 3.754 20 0 GHADHL COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c(Cl)cc1C(=O)[O-] ZINC000485278852 856317107 /nfs/dbraw/zinc/31/71/07/856317107.db2.gz UXYFRQILHNTONF-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)O[C@@](C)(CC)O3)cc1C(=O)[O-] ZINC000442831398 858170916 /nfs/dbraw/zinc/17/09/16/858170916.db2.gz AALCLKHPLPFTNM-IBGZPJMESA-N -2 3 391.445 3.645 20 0 GHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c1C(=O)[O-] ZINC000761281147 860379745 /nfs/dbraw/zinc/37/97/45/860379745.db2.gz IOZGQQSJFSJYQH-UHFFFAOYSA-N -2 3 393.436 3.862 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000484944631 860526098 /nfs/dbraw/zinc/52/60/98/860526098.db2.gz XBOJDEDWRWFBMY-UHFFFAOYSA-N -2 3 389.351 3.603 20 0 GHADHL CC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000192634395 863350231 /nfs/dbraw/zinc/35/02/31/863350231.db2.gz LKMIYXNOOPISTE-LBPRGKRZSA-N -2 3 396.896 3.717 20 0 GHADHL COc1ccc(C(=O)N2CCC([C@@H](CC(=O)[O-])c3ccccc3)CC2)c([O-])c1 ZINC000622000685 864681660 /nfs/dbraw/zinc/68/16/60/864681660.db2.gz XMEGRIRYVPAXEA-IBGZPJMESA-N -2 3 383.444 3.512 20 0 GHADHL CCOC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c([O-])c1 ZINC000736420065 865202296 /nfs/dbraw/zinc/20/22/96/865202296.db2.gz DQMNZEOCSZSVSO-MDZDMXLPSA-N -2 3 381.837 3.635 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c(C)c1C(=O)[O-] ZINC000156346334 868333309 /nfs/dbraw/zinc/33/33/09/868333309.db2.gz UPSJHIPLYRWXMF-UHFFFAOYSA-N -2 3 387.379 3.907 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(Cl)n1 ZINC001192401874 870373059 /nfs/dbraw/zinc/37/30/59/870373059.db2.gz JRFKTYHQRPGLAX-UHFFFAOYSA-N -2 3 395.651 3.849 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)ccc1[S-] ZINC001194502196 871753542 /nfs/dbraw/zinc/75/35/42/871753542.db2.gz ZZVZJPJZXRYIMJ-UHFFFAOYSA-N -2 3 380.878 3.986 20 0 GHADHL CSc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000463504769 871892678 /nfs/dbraw/zinc/89/26/78/871892678.db2.gz LHXOEURXNQNWBT-UHFFFAOYSA-N -2 3 375.830 3.700 20 0 GHADHL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(Cl)c1 ZINC001195235893 872244109 /nfs/dbraw/zinc/24/41/09/872244109.db2.gz DUWMTDYJSAMUAC-UHFFFAOYSA-N -2 3 375.780 3.734 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2F)c(F)cc1F ZINC001195263891 872291809 /nfs/dbraw/zinc/29/18/09/872291809.db2.gz NIOOFEIDKRSPBN-INIZCTEOSA-N -2 3 399.390 3.622 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2c(F)cc([O-])cc2F)c1Cl ZINC001195279702 872303861 /nfs/dbraw/zinc/30/38/61/872303861.db2.gz REWSIROCRHMHKP-UHFFFAOYSA-N -2 3 396.242 3.807 20 0 GHADHL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1)C(=O)[O-] ZINC000463779711 872584661 /nfs/dbraw/zinc/58/46/61/872584661.db2.gz VFPUIZBKGUROSD-MRXNPFEDSA-N -2 3 391.489 3.766 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC)c(OC3CCCC3)c2)c1 ZINC000775670028 872631718 /nfs/dbraw/zinc/63/17/18/872631718.db2.gz GYVKPODIDZLCJK-UHFFFAOYSA-N -2 3 393.461 3.532 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)ccc1OC(C)C ZINC000541808005 874328480 /nfs/dbraw/zinc/32/84/80/874328480.db2.gz ZTFVBOPAFLSGRY-HNNXBMFYSA-N -2 3 391.489 3.846 20 0 GHADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1c(O)cc(C(F)(F)F)cc1Cl ZINC001198783448 874606564 /nfs/dbraw/zinc/60/65/64/874606564.db2.gz WNNYFXTUNSTIQW-UHFFFAOYSA-N -2 3 395.742 3.563 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc(C(=O)[O-])c1F ZINC000763279139 888433736 /nfs/dbraw/zinc/43/37/36/888433736.db2.gz JQIVNSXKCYTLFB-UHFFFAOYSA-N -2 3 395.305 3.791 20 0 GHADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000325571340 895063699 /nfs/dbraw/zinc/06/36/99/895063699.db2.gz LHZWFKYCLLTJOR-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Br)c1csc2ccccc21 ZINC001186464551 914593951 /nfs/dbraw/zinc/59/39/51/914593951.db2.gz WATRFZZYNNRJMS-UHFFFAOYSA-N -2 3 385.264 3.565 20 0 GHADHL Cc1nc(C)c(CCC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c(=O)[n-]1 ZINC000127639458 902526197 /nfs/dbraw/zinc/52/61/97/902526197.db2.gz LDQKPJYGJFEOPN-UHFFFAOYSA-N -2 3 390.654 3.624 20 0 GHADHL O=C(Nc1cccc(F)c1[O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000628960014 906393286 /nfs/dbraw/zinc/39/32/86/906393286.db2.gz PKZHSRFXUMCLAO-VXGBXAGGSA-N -2 3 390.386 3.760 20 0 GHADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[S-])c1 ZINC001189229725 916480278 /nfs/dbraw/zinc/48/02/78/916480278.db2.gz ULEYOXOVIQFUST-UHFFFAOYSA-N -2 3 375.393 3.998 20 0 GHADHL Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)c2)n1 ZINC000410059519 925290600 /nfs/dbraw/zinc/29/06/00/925290600.db2.gz QNQGRFOTHQHWFB-UHFFFAOYSA-N -2 3 392.433 3.757 20 0 GHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000547548391 931107687 /nfs/dbraw/zinc/10/76/87/931107687.db2.gz GTUOQABOZNUIFF-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1 ZINC000327907497 971432965 /nfs/dbraw/zinc/43/29/65/971432965.db2.gz IVGVBFZDUIJXGW-UHFFFAOYSA-N -2 3 383.853 3.935 20 0 GHADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000319635275 970556328 /nfs/dbraw/zinc/55/63/28/970556328.db2.gz OHNKSULINLQXAO-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001595057054 979295731 /nfs/dbraw/zinc/29/57/31/979295731.db2.gz NYGBXBJXSLTANF-UHFFFAOYSA-N -2 3 387.807 3.671 20 0 GHADHL CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc([O-])cc(Br)c1 ZINC001597021825 986414231 /nfs/dbraw/zinc/41/42/31/986414231.db2.gz BOYVRDSMFGPDMD-UHFFFAOYSA-N -2 3 380.194 3.504 20 0 GHADHL CCSc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001597277590 987337116 /nfs/dbraw/zinc/33/71/16/987337116.db2.gz WDUVTFCCBZVLBV-UHFFFAOYSA-N -2 3 387.429 3.884 20 0 GHADHL CC(C)(C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC001589601404 987427433 /nfs/dbraw/zinc/42/74/33/987427433.db2.gz LRLFXUPGEAMMHS-HNNXBMFYSA-N -2 3 385.844 3.610 20 0 GHADHL C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C[C@@H](C)C1 ZINC001594223208 998860769 /nfs/dbraw/zinc/86/07/69/998860769.db2.gz QCBZRGUIBZNBKF-URLYPYJESA-N -2 3 377.865 3.528 20 0 GHADHL O=C1CCc2cc(-c3noc(-c4cc(Br)c([O-])cc4[O-])n3)ccc21 ZINC001215470807 1029224661 /nfs/dbraw/zinc/22/46/61/1029224661.db2.gz FSDRUSLWASCBGC-UHFFFAOYSA-N -2 3 387.189 3.706 20 0 GHADHL CC[C@@H]1OC(=O)C(Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)=C1C ZINC001229772126 1033701694 /nfs/dbraw/zinc/70/16/94/1033701694.db2.gz XKGOCSXBBMMIEW-HNNXBMFYSA-N -2 3 394.379 3.859 20 0 GHADHL CCC[C@H](CC(=O)OC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001229775023 1033705204 /nfs/dbraw/zinc/70/52/04/1033705204.db2.gz WYGOYGUJFQRXMY-OAHLLOKOSA-N -2 3 398.411 3.982 20 0 GHADHL O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240786693 1042954454 /nfs/dbraw/zinc/95/44/54/1042954454.db2.gz ZXDLTABAFNDUQM-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL O=S(=O)(Cc1ccc(F)cc1)[N-]c1c([O-])c(Br)ccc1Cl ZINC001259254259 1045044932 /nfs/dbraw/zinc/04/49/32/1045044932.db2.gz KQZBKRYESYEUHU-UHFFFAOYSA-N -2 3 394.649 3.889 20 0 GHADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc([O-])c(F)cc3F)s2)cs1 ZINC001259982028 1045340431 /nfs/dbraw/zinc/34/04/31/1045340431.db2.gz RGWISLIMAPUQGJ-UHFFFAOYSA-N -2 3 388.442 3.965 20 0 GHADHL COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001260777399 1045655903 /nfs/dbraw/zinc/65/59/03/1045655903.db2.gz KVFBUEOQDARIGA-UHFFFAOYSA-N -2 3 384.866 3.773 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1c(F)cc(F)cc1Br ZINC001260908600 1045765032 /nfs/dbraw/zinc/76/50/32/1045765032.db2.gz BGNIFRSVYXRSLE-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000549722205 450602114 /nfs/dbraw/zinc/60/21/14/450602114.db2.gz PGJQWFVNVUBLFQ-UHFFFAOYSA-N -2 3 395.893 3.731 20 0 GHADHL O=S(=O)([N-]c1ccc(-n2cccn2)c(Cl)c1)c1cccc(Cl)c1[O-] ZINC000436477290 450602856 /nfs/dbraw/zinc/60/28/56/450602856.db2.gz LSRXKKHLHYTPCK-UHFFFAOYSA-N -2 3 384.244 3.686 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000505306842 600258777 /nfs/dbraw/zinc/25/87/77/600258777.db2.gz XSWYNURVVNVFNC-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000547560237 600520348 /nfs/dbraw/zinc/52/03/48/600520348.db2.gz HUOWQDGIAXDIJE-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000737231844 600896912 /nfs/dbraw/zinc/89/69/12/600896912.db2.gz VMKDLXVEHDDQRQ-UHFFFAOYSA-N -2 3 395.502 3.594 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)cc1C ZINC000827444423 603403007 /nfs/dbraw/zinc/40/30/07/603403007.db2.gz IAZJCVKSTJTKRA-ZDUSSCGKSA-N -2 3 378.450 3.523 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000547937696 837717346 /nfs/dbraw/zinc/71/73/46/837717346.db2.gz CUBGJSXTNXIZGO-QWRGUYRKSA-N -2 3 387.885 3.952 20 0 GHADHL Cc1nc(-c2ccc(NC(=O)N[C@H](CC3CCCCC3)C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000580751671 840127644 /nfs/dbraw/zinc/12/76/44/840127644.db2.gz LYYITBRDEMAXCV-GOSISDBHSA-N -2 3 398.463 3.703 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1C(=O)[O-] ZINC000511688035 840522773 /nfs/dbraw/zinc/52/27/73/840522773.db2.gz PMBSUYZXYRDLLG-UHFFFAOYSA-N -2 3 377.462 3.727 20 0 GHADHL Cc1cc([C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C(=O)[O-])ccc1Cl ZINC000548260562 842320303 /nfs/dbraw/zinc/32/03/03/842320303.db2.gz HWGMGVTYNUWMRL-ZDUSSCGKSA-N -2 3 392.235 3.545 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000504704292 850246681 /nfs/dbraw/zinc/24/66/81/850246681.db2.gz VIHNSPHMNXSLTE-AWEZNQCLSA-N -2 3 379.503 3.978 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(C)cc1Br ZINC000438735518 852786297 /nfs/dbraw/zinc/78/62/97/852786297.db2.gz ZOQQYAOCTRULFP-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cc1 ZINC000509570630 852956584 /nfs/dbraw/zinc/95/65/84/852956584.db2.gz PKUUNZSCJFEWHE-UHFFFAOYSA-N -2 3 389.454 3.679 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](CC)C(=O)[O-])cc2)cc1C ZINC000521949124 858465110 /nfs/dbraw/zinc/46/51/10/858465110.db2.gz KALNZLVVDPXKTH-MRXNPFEDSA-N -2 3 391.489 3.848 20 0 GHADHL Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)c2)cs1 ZINC000466349757 859190653 /nfs/dbraw/zinc/19/06/53/859190653.db2.gz KEZQNBBZASHQCO-UHFFFAOYSA-N -2 3 388.470 3.926 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)ccc1OCCCC(=O)[O-] ZINC000522400089 859355317 /nfs/dbraw/zinc/35/53/17/859355317.db2.gz KUMJFRUMBGNRTE-UHFFFAOYSA-N -2 3 399.415 3.977 20 0 GHADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000509632139 865981557 /nfs/dbraw/zinc/98/15/57/865981557.db2.gz HZYNRWRACLHIIQ-UHFFFAOYSA-N -2 3 383.853 3.693 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c(C)c1OCC(=O)[O-] ZINC000523590374 867591793 /nfs/dbraw/zinc/59/17/93/867591793.db2.gz IJZDPJBYFSSJFX-UHFFFAOYSA-N -2 3 383.853 3.529 20 0 GHADHL Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1Cl ZINC000743250640 868016611 /nfs/dbraw/zinc/01/66/11/868016611.db2.gz GVZSIEXNDCUKDN-UHFFFAOYSA-N -2 3 395.651 3.728 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000793409917 882151343 /nfs/dbraw/zinc/15/13/43/882151343.db2.gz CLALCOUMFHTDHZ-UHFFFAOYSA-N -2 3 391.342 3.960 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)ccc1OC(C)C ZINC000793400487 882176370 /nfs/dbraw/zinc/17/63/70/882176370.db2.gz KDAHFHRPKVDTQC-UHFFFAOYSA-N -2 3 381.425 3.729 20 0 GHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1C ZINC000524380928 868980237 /nfs/dbraw/zinc/98/02/37/868980237.db2.gz FGZQHZZYKVBOJI-UHFFFAOYSA-N -2 3 391.342 3.960 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c(Cl)cc1F ZINC000535594628 869040230 /nfs/dbraw/zinc/04/02/30/869040230.db2.gz RULUNVSKYQAUDL-UHFFFAOYSA-N -2 3 375.780 3.734 20 0 GHADHL CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CCC(F)(F)CC1 ZINC001194040860 871457218 /nfs/dbraw/zinc/45/72/18/871457218.db2.gz RXYGWCJOWAUWIM-UHFFFAOYSA-N -2 3 399.818 3.814 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1C ZINC000808116178 886028527 /nfs/dbraw/zinc/02/85/27/886028527.db2.gz KCKNNCJJMOZNMD-UHFFFAOYSA-N -2 3 383.853 3.773 20 0 GHADHL CS(=O)(=O)c1ccc(C(=O)[N-]c2c([O-])c(Cl)cc(Cl)c2Cl)o1 ZINC000497156822 890236811 /nfs/dbraw/zinc/23/68/11/890236811.db2.gz BUZPAVHXFXOUPT-UHFFFAOYSA-N -2 3 384.624 3.601 20 0 GHADHL CCC1CCC(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)(C(=O)[O-])CC1 ZINC000574705929 900974342 /nfs/dbraw/zinc/97/43/42/900974342.db2.gz SEMKGULPGNFJJF-UHFFFAOYSA-N -2 3 398.463 3.703 20 0 GHADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2[S-])c1 ZINC001189235729 916484265 /nfs/dbraw/zinc/48/42/65/916484265.db2.gz RPFGYPHYZHOMPE-UHFFFAOYSA-N -2 3 386.292 3.741 20 0 GHADHL O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1nc2c(cccc2[O-])s1 ZINC001189491254 916674622 /nfs/dbraw/zinc/67/46/22/916674622.db2.gz NUMTWLIDCVSWIL-UHFFFAOYSA-N -2 3 388.392 3.963 20 0 GHADHL O=C(Nc1c([O-])cccc1F)c1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000678799333 924928924 /nfs/dbraw/zinc/92/89/24/924928924.db2.gz VBZPNABKAMSXDJ-UHFFFAOYSA-N -2 3 384.338 3.881 20 0 GHADHL CCOc1ccccc1N=c1[n-]nc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000469804452 930171947 /nfs/dbraw/zinc/17/19/47/930171947.db2.gz ODYKIVUPRRJMDV-NSHDSACASA-N -2 3 389.506 3.760 20 0 GHADHL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C\c1ccccc1F ZINC000799922881 933170362 /nfs/dbraw/zinc/17/03/62/933170362.db2.gz UWZCLRCJFTZBQT-KTKRTIGZSA-N -2 3 379.409 3.724 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000562319319 934821064 /nfs/dbraw/zinc/82/10/64/934821064.db2.gz NAQBGSCVIFPHBI-OAHLLOKOSA-N -2 3 397.811 3.638 20 0 GHADHL CC[C@@]1(C(=O)[O-])CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC001589606279 949279244 /nfs/dbraw/zinc/27/92/44/949279244.db2.gz HSOMPPHHHRNJSD-LJQANCHMSA-N -2 3 387.461 3.734 20 0 GHADHL CC[C@@H](C)c1ccc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C(C)C)cc1 ZINC001595010629 982942675 /nfs/dbraw/zinc/94/26/75/982942675.db2.gz VLMOQHLYSGHVJU-SJKOYZFVSA-N -2 3 380.466 3.562 20 0 GHADHL CCCc1c(C(=O)Nc2ccc(Br)cc2[O-])[nH]c(C)c1C(=O)[O-] ZINC001596045504 983334090 /nfs/dbraw/zinc/33/40/90/983334090.db2.gz PZVHMUIJKKAOIU-UHFFFAOYSA-N -2 3 381.226 3.694 20 0 GHADHL CC(C)(CCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001590694115 990410644 /nfs/dbraw/zinc/41/06/44/990410644.db2.gz DPVCLGVZFRNYBU-UHFFFAOYSA-N -2 3 399.871 3.867 20 0 GHADHL CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H](c2ccccc2)C1 ZINC001593882350 996713394 /nfs/dbraw/zinc/71/33/94/996713394.db2.gz SFQWWPHOAJXZQT-GJZGRUSLSA-N -2 3 377.462 3.619 20 0 GHADHL C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1)CC(F)(F)F ZINC000840899096 1027932382 /nfs/dbraw/zinc/93/23/82/1027932382.db2.gz NPCQVNGLXXAAFB-LURJTMIESA-N -2 3 394.198 3.558 20 0 GHADHL [O-]c1cc([O-])c(-c2nc(-c3cc(F)c(F)c(F)c3)no2)cc1Br ZINC001215470900 1029224605 /nfs/dbraw/zinc/22/46/05/1029224605.db2.gz HZUSBKIYAORJHQ-UHFFFAOYSA-N -2 3 387.111 3.995 20 0 GHADHL [O-]c1cc([O-])c(-c2nc(-c3ccc(-n4cccn4)cc3)no2)cc1Br ZINC001215470969 1029224987 /nfs/dbraw/zinc/22/49/87/1029224987.db2.gz JMMRZNWHSVURBO-UHFFFAOYSA-N -2 3 399.204 3.763 20 0 GHADHL COc1cccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1OC ZINC001215471012 1029226639 /nfs/dbraw/zinc/22/66/39/1029226639.db2.gz LHEMKFIUYDWSBV-UHFFFAOYSA-N -2 3 393.193 3.595 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccc(=O)[n-]3)cc2)c(C)cc1Cl ZINC001256205880 1041647806 /nfs/dbraw/zinc/64/78/06/1041647806.db2.gz JDOZDBPRBCLSFZ-UHFFFAOYSA-N -2 3 377.853 3.649 20 0 GHADHL COc1ccc(OCCCS(=O)(=O)[N-]c2c([O-])ccc3ccccc32)cc1 ZINC001259648112 1045258622 /nfs/dbraw/zinc/25/86/22/1045258622.db2.gz BNGVMQIVJTWKQX-UHFFFAOYSA-N -2 3 387.457 3.765 20 0 GHADHL CC(C)CS(=O)(=O)[N-]c1cc(Br)c(C(F)(F)F)cc1[O-] ZINC001259887326 1045328232 /nfs/dbraw/zinc/32/82/32/1045328232.db2.gz WRIBVRDRFKEDRP-UHFFFAOYSA-N -2 3 376.194 3.571 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1-c1ccccc1 ZINC001260189652 1045405278 /nfs/dbraw/zinc/40/52/78/1045405278.db2.gz UEOVNSNXTXUNBQ-UHFFFAOYSA-N -2 3 383.425 3.861 20 0 GHADHL O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875068 1045730863 /nfs/dbraw/zinc/73/08/63/1045730863.db2.gz KNMLZSZTJGHLRJ-UHFFFAOYSA-N -2 3 398.271 3.745 20 0 GHADHL O=S(=O)([N-]c1cccc(Cn2ccnc2)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875269 1045731745 /nfs/dbraw/zinc/73/17/45/1045731745.db2.gz OKLIAZCCUZVDNQ-UHFFFAOYSA-N -2 3 398.271 3.745 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1Cl)c1c(F)cc(F)cc1Br ZINC001260908654 1045763791 /nfs/dbraw/zinc/76/37/91/1045763791.db2.gz FETJSQNWYVJEDZ-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccc(F)cc1C(F)(F)F ZINC001261004635 1045821398 /nfs/dbraw/zinc/82/13/98/1045821398.db2.gz YDYYNDJJUZCHPT-UHFFFAOYSA-N -2 3 392.355 3.961 20 0 GHADHL O=C([N-][C@H](c1nn[n-]n1)c1ccccc1)C(F)(F)c1cccc(Cl)c1Cl ZINC001454256550 1061670026 /nfs/dbraw/zinc/67/00/26/1061670026.db2.gz VICCVVLWLKZLMO-ZDUSSCGKSA-N -2 3 398.200 3.504 20 0 GHADHL O=C([N-][C@H](c1nnn[n-]1)c1ccccc1)C(F)(F)c1cccc(Cl)c1Cl ZINC001454256550 1061670045 /nfs/dbraw/zinc/67/00/45/1061670045.db2.gz VICCVVLWLKZLMO-ZDUSSCGKSA-N -2 3 398.200 3.504 20 0 GHADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000740135587 599802297 /nfs/dbraw/zinc/80/22/97/599802297.db2.gz PTFAGFPVFVOHLJ-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL CC1CCN(c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])cc2)CC1 ZINC000736803148 600094440 /nfs/dbraw/zinc/09/44/40/600094440.db2.gz SXNXIQXXKRWBCF-UHFFFAOYSA-N -2 3 392.452 3.561 20 0 GHADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)c1C(=O)[O-] ZINC000738743900 600105675 /nfs/dbraw/zinc/10/56/75/600105675.db2.gz GBZKQVJVXLFZOV-UHFFFAOYSA-N -2 3 388.489 3.874 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1C(=O)[O-] ZINC000042793616 600542368 /nfs/dbraw/zinc/54/23/68/600542368.db2.gz RCRHSXUGKXNEGJ-UHFFFAOYSA-N -2 3 391.445 3.516 20 0 GHADHL COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000524966990 600783923 /nfs/dbraw/zinc/78/39/23/600783923.db2.gz BZBOBPSNCLANLT-UHFFFAOYSA-N -2 3 399.424 3.987 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1C(=O)[O-] ZINC000031721534 600810161 /nfs/dbraw/zinc/81/01/61/600810161.db2.gz QWBSFBGRXUMPJA-UHFFFAOYSA-N -2 3 383.853 3.935 20 0 GHADHL C[C@@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000547940957 601128398 /nfs/dbraw/zinc/12/83/98/601128398.db2.gz GDDYLLZDEXXQOC-PRHODGIISA-N -2 3 394.301 3.795 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)ccc1F ZINC000036447065 601317533 /nfs/dbraw/zinc/31/75/33/601317533.db2.gz FURNUVYTDLYSMI-UHFFFAOYSA-N -2 3 395.742 3.580 20 0 GHADHL O=C([O-])CCC1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000833225915 601844481 /nfs/dbraw/zinc/84/44/81/601844481.db2.gz TUJBWQRIIBZGCB-UHFFFAOYSA-N -2 3 387.461 3.734 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000547613720 602161626 /nfs/dbraw/zinc/16/16/26/602161626.db2.gz QNMNOISHGMIQAC-YVEFUNNKSA-N -2 3 391.420 3.621 20 0 GHADHL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cc1 ZINC000824048621 603240540 /nfs/dbraw/zinc/24/05/40/603240540.db2.gz CRJDCLAAVOMYDR-UHFFFAOYSA-N -2 3 380.397 3.555 20 0 GHADHL C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000825246570 604299174 /nfs/dbraw/zinc/29/91/74/604299174.db2.gz SKTVXIAQYKTWKY-GJZGRUSLSA-N -2 3 384.432 3.693 20 0 GHADHL Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3ccccc3C(=O)[O-])nc(=O)c2c1C ZINC000833758845 604497784 /nfs/dbraw/zinc/49/77/84/604497784.db2.gz VDUBERUTVKUDHK-SNVBAGLBSA-N -2 3 386.429 3.559 20 0 GHADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000829566304 604808262 /nfs/dbraw/zinc/80/82/62/604808262.db2.gz HZYKQUNECOPOBO-UHFFFAOYSA-N -2 3 383.853 3.557 20 0 GHADHL C[C@](CC(=O)[O-])(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCCC1 ZINC000820226024 607120884 /nfs/dbraw/zinc/12/08/84/607120884.db2.gz RZYCXINKFXZYTB-GOSISDBHSA-N -2 3 391.859 3.520 20 0 GHADHL C[C@](CC(=O)[O-])(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCCC1 ZINC000820226024 607120886 /nfs/dbraw/zinc/12/08/86/607120886.db2.gz RZYCXINKFXZYTB-GOSISDBHSA-N -2 3 391.859 3.520 20 0 GHADHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000500325552 840120001 /nfs/dbraw/zinc/12/00/01/840120001.db2.gz HDQUSNABWYWZFW-UHFFFAOYSA-N -2 3 383.853 3.728 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1OCC ZINC000548200416 842145881 /nfs/dbraw/zinc/14/58/81/842145881.db2.gz NEWFYJWSTHJDCQ-UHFFFAOYSA-N -2 3 393.461 3.600 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1C(F)(F)F ZINC000548260453 842320633 /nfs/dbraw/zinc/32/06/33/842320633.db2.gz YIUIQLVHMFTYMM-UHFFFAOYSA-N -2 3 395.305 3.791 20 0 GHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000031665451 850047532 /nfs/dbraw/zinc/04/75/32/850047532.db2.gz UCKQKALKDPVMJY-UHFFFAOYSA-N -2 3 376.217 3.506 20 0 GHADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3csc4ccccc43)cc2)n1 ZINC000506704763 850524297 /nfs/dbraw/zinc/52/42/97/850524297.db2.gz DLAIKBBLDRCAGM-UHFFFAOYSA-N -2 3 397.481 3.761 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000516018143 852069684 /nfs/dbraw/zinc/06/96/84/852069684.db2.gz XLEOQNCDHKPMQR-UHFFFAOYSA-N -2 3 391.489 3.992 20 0 GHADHL CC(C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436761197 852280053 /nfs/dbraw/zinc/28/00/53/852280053.db2.gz IOYDUYPSFAQIKS-UHFFFAOYSA-N -2 3 396.896 3.574 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H](C)CC)cc2)cc1C(=O)[O-] ZINC000440814420 853635894 /nfs/dbraw/zinc/63/58/94/853635894.db2.gz DAXSOTDLNHBIGN-CYBMUJFWSA-N -2 3 377.462 3.925 20 0 GHADHL CC(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000520079103 853810667 /nfs/dbraw/zinc/81/06/67/853810667.db2.gz STODSWLAEBDNLY-UHFFFAOYSA-N -2 3 377.462 3.539 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1 ZINC000031721499 856185200 /nfs/dbraw/zinc/18/52/00/856185200.db2.gz LUJQWAKGQSDGDT-UHFFFAOYSA-N -2 3 383.853 3.935 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc(Cl)c1Cl ZINC000058488379 856898902 /nfs/dbraw/zinc/89/89/02/856898902.db2.gz LAGNAYFTJMMWCU-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1Br ZINC000486127551 857458099 /nfs/dbraw/zinc/45/80/99/857458099.db2.gz MCAXGKDNQGLSKY-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3C)c2)n1 ZINC000523728656 867894797 /nfs/dbraw/zinc/89/47/97/867894797.db2.gz KAWGMWDNAVQOKY-UHFFFAOYSA-N -2 3 397.456 3.568 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(O)ccc2Cl)c(Cl)cc1Cl ZINC001192430039 870358439 /nfs/dbraw/zinc/35/84/39/870358439.db2.gz AYQFJAFTJHBSLH-UHFFFAOYSA-N -2 3 396.635 3.851 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3cccnc3)cc2)cc1C(=O)[O-] ZINC001192649192 870556330 /nfs/dbraw/zinc/55/63/30/870556330.db2.gz RKRVNEOWHBPUNN-UHFFFAOYSA-N -2 3 398.440 3.646 20 0 GHADHL Cc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001192726524 870617147 /nfs/dbraw/zinc/61/71/47/870617147.db2.gz YTLGPWYYKSMINE-UHFFFAOYSA-N -2 3 397.452 3.926 20 0 GHADHL Cc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)cc2)cc1 ZINC001192726212 870643898 /nfs/dbraw/zinc/64/38/98/870643898.db2.gz PCYJYFSBHUMGRZ-UHFFFAOYSA-N -2 3 397.452 3.926 20 0 GHADHL CC(=O)c1ccc(OCc2ccccc2)c([N-]S(=O)(=O)CC2CCC2)c1[O-] ZINC001193523949 871157993 /nfs/dbraw/zinc/15/79/93/871157993.db2.gz QUHCZBICBJJDIG-UHFFFAOYSA-N -2 3 389.473 3.716 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c1 ZINC000540496630 871425091 /nfs/dbraw/zinc/42/50/91/871425091.db2.gz CVTOIPPPYQYWTD-UHFFFAOYSA-N -2 3 389.429 3.511 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)c1 ZINC000775671281 872610768 /nfs/dbraw/zinc/61/07/68/872610768.db2.gz YMRFTUWUWGNABN-UHFFFAOYSA-N -2 3 383.516 3.680 20 0 GHADHL O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530006449 876959961 /nfs/dbraw/zinc/95/99/61/876959961.db2.gz SJGPEFACCNCYHE-VXGBXAGGSA-N -2 3 390.386 3.760 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(Cc3ccccc3)c2)cc1C(=O)[O-] ZINC001185259273 913763433 /nfs/dbraw/zinc/76/34/33/913763433.db2.gz GDQXQNLBOOQVFN-UHFFFAOYSA-N -2 3 397.452 3.785 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc(C(=O)[O-])c1F ZINC000133163620 898188910 /nfs/dbraw/zinc/18/89/10/898188910.db2.gz CZOJQNZLNCRDJR-UHFFFAOYSA-N -2 3 393.223 3.522 20 0 GHADHL Cc1cc([O-])c([N-]S(=O)(=O)Cc2cccc(F)c2F)cc1Br ZINC001189456538 916662155 /nfs/dbraw/zinc/66/21/55/916662155.db2.gz ZABWEEYFODACHV-UHFFFAOYSA-N -2 3 392.221 3.683 20 0 GHADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1cc(Br)ccc1Cl ZINC001189751455 916874578 /nfs/dbraw/zinc/87/45/78/916874578.db2.gz SBFIHRJNEDNUOC-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL O=c1cc(C(F)F)nc(SCCCSc2nc(C(F)F)cc(=O)[n-]2)[n-]1 ZINC000562043245 934654472 /nfs/dbraw/zinc/65/44/72/934654472.db2.gz GAOPYELALHWDIS-UHFFFAOYSA-N -2 3 396.391 3.828 20 0 GHADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1 ZINC000829910727 935881087 /nfs/dbraw/zinc/88/10/87/935881087.db2.gz KXTMXTKIWBAOFO-ZDUSSCGKSA-N -2 3 375.446 3.607 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c(F)c1 ZINC000327478950 971402345 /nfs/dbraw/zinc/40/23/45/971402345.db2.gz ZPRDFCZVQWNRTL-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL C[C@]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)(C(=O)[O-])c1ccccc1 ZINC001589088523 955920277 /nfs/dbraw/zinc/92/02/77/955920277.db2.gz YORISPVQGZQUDJ-MRXNPFEDSA-N -2 3 398.203 3.657 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cc1C(=O)[O-] ZINC000832955892 979059901 /nfs/dbraw/zinc/05/99/01/979059901.db2.gz TWLDNXXVFWCOFS-UHFFFAOYSA-N -2 3 385.445 3.638 20 0 GHADHL C[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001599892082 984707156 /nfs/dbraw/zinc/70/71/56/984707156.db2.gz YTFQOKIEYFIWTM-SNVBAGLBSA-N -2 3 377.865 3.815 20 0 GHADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC001589757466 988075346 /nfs/dbraw/zinc/07/53/46/988075346.db2.gz YIAFOUJIUPWXFO-NSHDSACASA-N -2 3 387.807 3.684 20 0 GHADHL CC(C)CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C ZINC001591223149 992095134 /nfs/dbraw/zinc/09/51/34/992095134.db2.gz XSNLYAUPVKNLDU-ZDUSSCGKSA-N -2 3 377.453 3.792 20 0 GHADHL C[C@@H](Oc1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1F)C(=O)[O-] ZINC001593632406 995919915 /nfs/dbraw/zinc/91/99/15/995919915.db2.gz UNJCGJVKVLGPMV-SECBINFHSA-N -2 3 375.377 3.850 20 0 GHADHL C[C@@H](COc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])Oc1ccccc1 ZINC001228122524 1032795229 /nfs/dbraw/zinc/79/52/29/1032795229.db2.gz NXPQPSDWESWBSE-AWEZNQCLSA-N -2 3 380.396 3.881 20 0 GHADHL CC(=O)c1ccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c(F)c1 ZINC001215471300 1029226846 /nfs/dbraw/zinc/22/68/46/1029226846.db2.gz VQTVAJXENCHYFJ-UHFFFAOYSA-N -2 3 393.168 3.919 20 0 GHADHL COc1cc(Br)c([O-])c(NC(=O)c2ccc3cccnc3c2[O-])c1 ZINC001149322713 1030131508 /nfs/dbraw/zinc/13/15/08/1030131508.db2.gz QHEKHPQEVOJOGQ-UHFFFAOYSA-N -2 3 389.205 3.669 20 0 GHADHL O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(-c2ccc([O-])cc2F)nc1 ZINC001206045020 1033697930 /nfs/dbraw/zinc/69/79/30/1033697930.db2.gz WMNAOADXDOUHOV-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242168260 1035843920 /nfs/dbraw/zinc/84/39/20/1035843920.db2.gz KCQREFGJUBHYHI-UHFFFAOYSA-N -2 3 385.367 3.916 20 0 GHADHL O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(-c2ccc(F)c([O-])c2)nc1 ZINC001243047807 1036018539 /nfs/dbraw/zinc/01/85/39/1036018539.db2.gz AGYUAGICTOTOOD-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL O=S(=O)([N-]c1nc2ccccc2nc1-c1ccccc1[O-])c1ccc(F)cc1 ZINC001241008598 1042969751 /nfs/dbraw/zinc/96/97/51/1042969751.db2.gz SUCZNNBSRNWSGN-UHFFFAOYSA-N -2 3 395.415 3.942 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(c3ccccc3)CCCC2)c(F)cc1Cl ZINC001259222432 1045017827 /nfs/dbraw/zinc/01/78/27/1045017827.db2.gz SMQCALSYEKCEST-UHFFFAOYSA-N -2 3 397.855 3.925 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCCC3)cc2)cc1 ZINC001260228255 1045420182 /nfs/dbraw/zinc/42/01/82/1045420182.db2.gz PUKRDTYYYLNWCQ-UHFFFAOYSA-N -2 3 375.446 3.755 20 0 GHADHL O=c1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)[n-]n1-c1ccccc1 ZINC001260466740 1045505872 /nfs/dbraw/zinc/50/58/72/1045505872.db2.gz OHJBRBHZCBGUJY-UHFFFAOYSA-N -2 3 390.273 3.747 20 0 GHADHL CC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)ccc1F ZINC001260876004 1045732930 /nfs/dbraw/zinc/73/29/30/1045732930.db2.gz KTTFUZYYLXVLBO-UHFFFAOYSA-N -2 3 378.208 3.842 20 0 GHADHL Cc1c([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)ccc2c1OCCO2 ZINC001260878929 1045735740 /nfs/dbraw/zinc/73/57/40/1045735740.db2.gz ZRVWUBKRSXPNTR-UHFFFAOYSA-N -2 3 390.244 3.579 20 0 GHADHL O=S(=O)([N-]c1cncc([O-])c1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001260940045 1045778347 /nfs/dbraw/zinc/77/83/47/1045778347.db2.gz BVNBVTBIFBBMDR-UHFFFAOYSA-N -2 3 386.273 3.626 20 0 GHADHL O=S(=O)([N-]CCc1c(F)cc([O-])cc1F)c1cc(Cl)sc1Cl ZINC001475718640 1075007745 /nfs/dbraw/zinc/00/77/45/1075007745.db2.gz FDKHDXQOZQRNKR-UHFFFAOYSA-N -2 3 388.244 3.560 20 0 GHADHL O=S(=O)([N-]c1ccc(Sc2nncs2)cc1)c1cccc(Cl)c1[O-] ZINC000436476145 450602618 /nfs/dbraw/zinc/60/26/18/450602618.db2.gz IPHSYKZIHZWTDY-UHFFFAOYSA-N -2 3 399.906 3.849 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(NC(=O)[O-])c3)c2)n1 ZINC000737251510 599906014 /nfs/dbraw/zinc/90/60/14/599906014.db2.gz SQUREXKLBXQHRG-UHFFFAOYSA-N -2 3 378.388 3.754 20 0 GHADHL O=C([O-])[C@@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])c2ccccc21 ZINC000739613883 600465019 /nfs/dbraw/zinc/46/50/19/600465019.db2.gz IUHRXEQDURLKBU-LJQANCHMSA-N -2 3 389.407 3.800 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(F)c1 ZINC000013059792 601317527 /nfs/dbraw/zinc/31/75/27/601317527.db2.gz DQFFTOLYRCLLJX-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000828764848 601326256 /nfs/dbraw/zinc/32/62/56/601326256.db2.gz OLCCMAJJBWKZMD-CNTYAEFGSA-N -2 3 375.446 3.763 20 0 GHADHL Cc1nc(-c2ccc(NC(=O)Nc3ccc(NC(=O)[O-])cc3)cc2)cc(=O)[n-]1 ZINC000740206746 602554576 /nfs/dbraw/zinc/55/45/76/602554576.db2.gz DFYISZOTGJWPLS-UHFFFAOYSA-N -2 3 379.376 3.892 20 0 GHADHL O=C([O-])c1c2c(nc3ccccc31)C(=Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000823387493 606302908 /nfs/dbraw/zinc/30/29/08/606302908.db2.gz MQROYABDWDDNGU-YFHOEESVSA-N -2 3 375.413 3.661 20 0 GHADHL O=C([O-])c1c2c(nc3ccccc31)C(=Cc1cc(-c3nn[n-]n3)cs1)CC2 ZINC000823387493 606302910 /nfs/dbraw/zinc/30/29/10/606302910.db2.gz MQROYABDWDDNGU-YFHOEESVSA-N -2 3 375.413 3.661 20 0 GHADHL O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000826420890 608865147 /nfs/dbraw/zinc/86/51/47/608865147.db2.gz HSTZSHWNIJWVAZ-UHFFFAOYSA-N -2 3 396.259 3.610 20 0 GHADHL O=S(=O)([N-]c1csc2ccccc12)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826492744 609424357 /nfs/dbraw/zinc/42/43/57/609424357.db2.gz AYCHODZJKYITHP-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL O=S(=O)([N-]c1csc2ccccc12)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826492744 609424360 /nfs/dbraw/zinc/42/43/60/609424360.db2.gz AYCHODZJKYITHP-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)ccc1F ZINC000326726323 836947579 /nfs/dbraw/zinc/94/75/79/836947579.db2.gz CYLRBYQPJVIGGT-UHFFFAOYSA-N -2 3 395.742 3.580 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc(C(=O)[O-])cc2)c1Cl ZINC000547871489 837324601 /nfs/dbraw/zinc/32/46/01/837324601.db2.gz IHJGGEQBWRAPPF-UHFFFAOYSA-N -2 3 388.272 3.521 20 0 GHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000547882000 837350446 /nfs/dbraw/zinc/35/04/46/837350446.db2.gz HUUJYESASFRWDT-UHFFFAOYSA-N -2 3 389.351 3.701 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2C2CC2)c1 ZINC000655602822 837378081 /nfs/dbraw/zinc/37/80/81/837378081.db2.gz MOUKGMMSDDVBEJ-UHFFFAOYSA-N -2 3 383.853 3.741 20 0 GHADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)(CC(=O)[O-])C1 ZINC000547899391 837380914 /nfs/dbraw/zinc/38/09/14/837380914.db2.gz UOUVENCNVJGGBU-BMIGLBTASA-N -2 3 380.293 3.553 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cc1C ZINC000110276171 844366893 /nfs/dbraw/zinc/36/68/93/844366893.db2.gz WRYXJNQHBZPOIB-UHFFFAOYSA-N -2 3 377.462 3.656 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c1Cl ZINC000548260340 842321813 /nfs/dbraw/zinc/32/18/13/842321813.db2.gz DGNDZRMLJWDUMP-GHMZBOCLSA-N -2 3 382.309 3.860 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1C(C)C ZINC000432736410 843623467 /nfs/dbraw/zinc/62/34/67/843623467.db2.gz DBQLVSBDUNPVBX-UHFFFAOYSA-N -2 3 381.425 3.765 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1OC(F)F ZINC000513381270 845308962 /nfs/dbraw/zinc/30/89/62/845308962.db2.gz AKJPUANPASMKGB-UHFFFAOYSA-N -2 3 385.388 3.712 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccsc1 ZINC000548589008 845691789 /nfs/dbraw/zinc/69/17/89/845691789.db2.gz YZIJXXAXTDJJJB-CYBMUJFWSA-N -2 3 385.850 3.560 20 0 GHADHL O=C([O-])c1cnc(C2CCN(C(=O)c3cc([O-])c4ccccc4c3)CC2)s1 ZINC000910213298 851075760 /nfs/dbraw/zinc/07/57/60/851075760.db2.gz CYTMXPTVOMGDQA-UHFFFAOYSA-N -2 3 382.441 3.720 20 0 GHADHL O=C1CCCc2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])cc21 ZINC000436478734 851967562 /nfs/dbraw/zinc/96/75/62/851967562.db2.gz RVBWNFHMUKCKAJ-UHFFFAOYSA-N -2 3 385.363 3.731 20 0 GHADHL Cc1sc2nc(-c3ccc([O-])c(I)c3)[n-]c(=O)c2c1C ZINC000436751324 852295089 /nfs/dbraw/zinc/29/50/89/852295089.db2.gz KMQBUQGBOOMGTG-UHFFFAOYSA-N -2 3 398.225 3.991 20 0 GHADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000570971199 853669865 /nfs/dbraw/zinc/66/98/65/853669865.db2.gz CLWPTLTVSZENJT-OAHLLOKOSA-N -2 3 396.534 3.808 20 0 GHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000573364092 856067276 /nfs/dbraw/zinc/06/72/76/856067276.db2.gz KSBWGQZGUKWOPV-UHFFFAOYSA-N -2 3 375.446 3.516 20 0 GHADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442232486 857624123 /nfs/dbraw/zinc/62/41/23/857624123.db2.gz CJEOKUUKQBTHHZ-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](CC)C(=O)[O-])cc2)cc1C ZINC000521949123 858464982 /nfs/dbraw/zinc/46/49/82/858464982.db2.gz KALNZLVVDPXKTH-INIZCTEOSA-N -2 3 391.489 3.848 20 0 GHADHL O=C(Nc1c([O-])cccc1F)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000605439631 863051761 /nfs/dbraw/zinc/05/17/61/863051761.db2.gz JDKKQTKVRCFSQU-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)c1 ZINC000509373589 859217816 /nfs/dbraw/zinc/21/78/16/859217816.db2.gz DSDGFMFRZRVBFX-UHFFFAOYSA-N -2 3 388.420 3.711 20 0 GHADHL CCOc1cc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc(Cl)c1[O-] ZINC000213558065 859410910 /nfs/dbraw/zinc/41/09/10/859410910.db2.gz YPAPARHYXKOURT-XQRVVYSFSA-N -2 3 390.819 3.976 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(Cl)c1 ZINC000740700925 865982457 /nfs/dbraw/zinc/98/24/57/865982457.db2.gz LIANHAYEQPVOHC-UHFFFAOYSA-N -2 3 381.624 3.541 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000060417577 882443997 /nfs/dbraw/zinc/44/39/97/882443997.db2.gz UOZOWIYYRFTYFO-UHFFFAOYSA-N -2 3 391.342 3.960 20 0 GHADHL C[C@H]1CCC[C@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193255320 870978457 /nfs/dbraw/zinc/97/84/57/870978457.db2.gz USIRUEZKSCPMGK-GJZGRUSLSA-N -2 3 388.489 3.596 20 0 GHADHL CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193284253 871004646 /nfs/dbraw/zinc/00/46/46/871004646.db2.gz QLGKYQDTGQPGSN-HUUCEWRRSA-N -2 3 390.505 3.748 20 0 GHADHL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cccnc3Cl)cc2)c1 ZINC001196060378 872834083 /nfs/dbraw/zinc/83/40/83/872834083.db2.gz DDXMVVSBENRDJN-UHFFFAOYSA-N -2 3 388.832 3.901 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cc1 ZINC001196065852 872836783 /nfs/dbraw/zinc/83/67/83/872836783.db2.gz DYYVZVQRCXZQRL-UHFFFAOYSA-N -2 3 383.425 3.861 20 0 GHADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000790387914 879659727 /nfs/dbraw/zinc/65/97/27/879659727.db2.gz WCARRRMEUJYSFH-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c1Cl ZINC000615179543 879704630 /nfs/dbraw/zinc/70/46/30/879704630.db2.gz HOAMCWDFYJZKJP-SNVBAGLBSA-N -2 3 394.301 3.858 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000531365018 879705506 /nfs/dbraw/zinc/70/55/06/879705506.db2.gz YDURTEZRSQOOCO-UHFFFAOYSA-N -2 3 389.351 3.647 20 0 GHADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000476428291 885745417 /nfs/dbraw/zinc/74/54/17/885745417.db2.gz YXUMTVZWANVENF-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL COc1cc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1C ZINC000808126642 886003806 /nfs/dbraw/zinc/00/38/06/886003806.db2.gz UJHXXKSRBTZHFR-UHFFFAOYSA-N -2 3 387.816 3.604 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c(C)c1 ZINC000614883252 891534502 /nfs/dbraw/zinc/53/45/02/891534502.db2.gz KDNHHRNXYFBEIE-UHFFFAOYSA-N -2 3 389.473 3.772 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1C(=O)[O-] ZINC000537197218 894529540 /nfs/dbraw/zinc/52/95/40/894529540.db2.gz QXWUPBJAYUATCX-UHFFFAOYSA-N -2 3 381.475 3.615 20 0 GHADHL O=S(=O)([N-]c1cccc2c3ccccc3oc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001185609981 913989874 /nfs/dbraw/zinc/98/98/74/913989874.db2.gz QSQKYTCWPGLTKC-UHFFFAOYSA-N -2 3 391.412 3.567 20 0 GHADHL O=S(=O)([N-]c1cccc2c3ccccc3oc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001185609981 913989887 /nfs/dbraw/zinc/98/98/87/913989887.db2.gz QSQKYTCWPGLTKC-UHFFFAOYSA-N -2 3 391.412 3.567 20 0 GHADHL O=C(Nc1ccc(Br)cc1[O-])c1c([O-])cnc2c(F)cccc21 ZINC001136220358 896715937 /nfs/dbraw/zinc/71/59/37/896715937.db2.gz YDOGWRHLFBZXHF-UHFFFAOYSA-N -2 3 377.169 3.800 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1C ZINC001185868933 914158059 /nfs/dbraw/zinc/15/80/59/914158059.db2.gz DHBOIIWQYKUNJN-UHFFFAOYSA-N -2 3 389.351 3.701 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(C)(C)O2 ZINC001185919289 914201232 /nfs/dbraw/zinc/20/12/32/914201232.db2.gz XWXYLKJBUFOXJW-UHFFFAOYSA-N -2 3 375.446 3.598 20 0 GHADHL O=S(=O)(C=Cc1ccccc1Cl)[N-]c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826484121 900956590 /nfs/dbraw/zinc/95/65/90/900956590.db2.gz OHSZMUAMAKTEDJ-FPLPWBNLSA-N -2 3 396.259 3.586 20 0 GHADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cc2cc(Cl)ccc2s1 ZINC000826493172 901206971 /nfs/dbraw/zinc/20/69/71/901206971.db2.gz WYKSBBXTSROIKA-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)ccc1[S-] ZINC001189986876 917045871 /nfs/dbraw/zinc/04/58/71/917045871.db2.gz YVYIAIVNVDYXDY-UHFFFAOYSA-N -2 3 381.372 3.943 20 0 GHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(F)(F)F)cc1 ZINC001192099908 918406797 /nfs/dbraw/zinc/40/67/97/918406797.db2.gz FEZIEXQSRUZNPD-UHFFFAOYSA-N -2 3 391.342 3.663 20 0 GHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(Cl)c1 ZINC000780417335 930512420 /nfs/dbraw/zinc/51/24/20/930512420.db2.gz KLCIGZIBMKJVGQ-UHFFFAOYSA-N -2 3 387.816 3.765 20 0 GHADHL Cc1cc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c2cccnc12 ZINC000325055926 971179916 /nfs/dbraw/zinc/17/99/16/971179916.db2.gz QXRXBEUPUGVDNL-UHFFFAOYSA-N -2 3 382.850 3.757 20 0 GHADHL CC(C)(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000326815075 971331829 /nfs/dbraw/zinc/33/18/29/971331829.db2.gz WISVQBMBSXRUTQ-ZYHUDNBSSA-N -2 3 375.437 3.546 20 0 GHADHL Cc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])c3cc(Br)ccc32)c1 ZINC001594373230 958561778 /nfs/dbraw/zinc/56/17/78/958561778.db2.gz JVYXLMKQBDMZMY-GFCCVEGCSA-N -2 3 390.233 3.682 20 0 GHADHL Cc1nc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c(-c2ccccc2)s1 ZINC001594460551 959454651 /nfs/dbraw/zinc/45/46/51/959454651.db2.gz CHZVBPCJBFQJOW-AWEZNQCLSA-N -2 3 396.534 3.534 20 0 GHADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)[C@@H]1CC2CCC1CC2 ZINC000394430611 972712702 /nfs/dbraw/zinc/71/27/02/972712702.db2.gz DXGSDDSEKPQSSI-PGHLRGPGSA-N -2 3 389.876 3.670 20 0 GHADHL C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001592478177 978249871 /nfs/dbraw/zinc/24/98/71/978249871.db2.gz TZMJOFSVJNUVCU-ZETCQYMHSA-N -2 3 391.770 3.577 20 0 GHADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)(C)c1ccccc1 ZINC001595313350 980477004 /nfs/dbraw/zinc/47/70/04/980477004.db2.gz OXEGSQFZODVFQR-OAHLLOKOSA-N -2 3 397.443 3.698 20 0 GHADHL CC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001595443883 981084273 /nfs/dbraw/zinc/08/42/73/981084273.db2.gz DOHJHIARHXEDGV-QWRGUYRKSA-N -2 3 377.865 3.672 20 0 GHADHL CSC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCCCC1 ZINC001599783875 987890006 /nfs/dbraw/zinc/89/00/06/987890006.db2.gz GKXDMRPXBHNQRK-UHFFFAOYSA-N -2 3 395.905 3.522 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)ccc1C(F)(F)F ZINC000562231607 1018078816 /nfs/dbraw/zinc/07/88/16/1018078816.db2.gz LOJCQPAYZQIPPF-UHFFFAOYSA-N -2 3 395.305 3.791 20 0 GHADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@H](c1cccnc1)C1CC1 ZINC001228121677 1032796451 /nfs/dbraw/zinc/79/64/51/1032796451.db2.gz GQOJGTJPDZLERC-QFIPXVFZSA-N -2 3 377.396 3.960 20 0 GHADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000576477948 1020019826 /nfs/dbraw/zinc/01/98/26/1020019826.db2.gz JRKFGXSKMDFSCP-JQWIXIFHSA-N -2 3 380.293 3.695 20 0 GHADHL COc1ccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)cc1F ZINC001215470987 1029224931 /nfs/dbraw/zinc/22/49/31/1029224931.db2.gz KEUUXYWBZGLLNJ-UHFFFAOYSA-N -2 3 381.157 3.725 20 0 GHADHL O=C([N-][C@@H](c1nn[n-]n1)c1ccccc1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001149501202 1030196855 /nfs/dbraw/zinc/19/68/55/1030196855.db2.gz SVCZLMVSEOPTAZ-CYBMUJFWSA-N -2 3 398.200 3.504 20 0 GHADHL O=C([N-][C@@H](c1nnn[n-]1)c1ccccc1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001149501202 1030196864 /nfs/dbraw/zinc/19/68/64/1030196864.db2.gz SVCZLMVSEOPTAZ-CYBMUJFWSA-N -2 3 398.200 3.504 20 0 GHADHL CCC(=O)[C@@H](CC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1 ZINC001225627454 1031518090 /nfs/dbraw/zinc/51/80/90/1031518090.db2.gz AEDTZFJLKOPDQW-MRXNPFEDSA-N -2 3 384.384 3.713 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@H]2CCO[C@@H](C)C2)cc1 ZINC001229671732 1033630498 /nfs/dbraw/zinc/63/04/98/1033630498.db2.gz MATHPRDOCBSXBJ-LRDDRELGSA-N -2 3 398.411 3.826 20 0 GHADHL CCOC[C@@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(OC)cc1 ZINC001229670304 1033631046 /nfs/dbraw/zinc/63/10/46/1033631046.db2.gz ANWPWFIEKMXIKH-GFCCVEGCSA-N -2 3 386.400 3.684 20 0 GHADHL C[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)c1cnccn1 ZINC001229773051 1033701895 /nfs/dbraw/zinc/70/18/95/1033701895.db2.gz HIVOTOHGMXPDFD-GFCCVEGCSA-N -2 3 376.368 3.801 20 0 GHADHL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1Br ZINC001260221534 1045418813 /nfs/dbraw/zinc/41/88/13/1045418813.db2.gz ZIJCSZRRNUKDCG-UHFFFAOYSA-N -2 3 384.251 3.511 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1ccc(Br)cc1F ZINC001260379005 1045482392 /nfs/dbraw/zinc/48/23/92/1045482392.db2.gz XVFBXYJPUCJOQU-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1cccc(OC(F)(F)F)c1 ZINC001260495071 1045516895 /nfs/dbraw/zinc/51/68/95/1045516895.db2.gz IVJSZBDIAIIODH-UHFFFAOYSA-N -2 3 390.364 3.701 20 0 GHADHL CC1(c2ccc([N-]S(=O)(=O)c3cc(Cl)c([O-])c(Cl)c3)cc2)COC1 ZINC001260878932 1045735604 /nfs/dbraw/zinc/73/56/04/1045735604.db2.gz ZTCKJSBKMRIRKZ-UHFFFAOYSA-N -2 3 388.272 3.788 20 0 GHADHL COc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[S-])ccc1F ZINC001200491646 1056112440 /nfs/dbraw/zinc/11/24/40/1056112440.db2.gz JOLRDYFFXSHTBG-UHFFFAOYSA-N -2 3 381.372 3.943 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c(C)c1 ZINC000737210693 599926289 /nfs/dbraw/zinc/92/62/89/599926289.db2.gz QSUGRPYUAXKMEN-UHFFFAOYSA-N -2 3 395.502 3.512 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c(C)cc1Br ZINC000738251399 600253766 /nfs/dbraw/zinc/25/37/66/600253766.db2.gz KWQAZZWGQONVDI-UHFFFAOYSA-N -2 3 399.266 3.957 20 0 GHADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCCC2)c1F ZINC000833294292 601233035 /nfs/dbraw/zinc/23/30/35/601233035.db2.gz AJPRZFVHQAVZIR-UHFFFAOYSA-N -2 3 399.390 3.550 20 0 GHADHL Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000832853177 601335335 /nfs/dbraw/zinc/33/53/35/601335335.db2.gz GEIBNNCFZINLJR-UHFFFAOYSA-N -2 3 393.461 3.515 20 0 GHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751145397 601836131 /nfs/dbraw/zinc/83/61/31/601836131.db2.gz KMSYMNGKTQNJHN-UHFFFAOYSA-N -2 3 385.388 3.559 20 0 GHADHL O=C([O-])N1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc2C1 ZINC000740527050 602256242 /nfs/dbraw/zinc/25/62/42/602256242.db2.gz OHODATQSZCKTOV-UHFFFAOYSA-N -2 3 390.399 3.582 20 0 GHADHL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)c1 ZINC000739917350 602652271 /nfs/dbraw/zinc/65/22/71/602652271.db2.gz JMFYNQDUKMHXNX-CMDGGOBGSA-N -2 3 382.825 3.851 20 0 GHADHL O=S(=O)([N-]c1cccc2ccsc21)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826493160 607685148 /nfs/dbraw/zinc/68/51/48/607685148.db2.gz WKLHDOFSYQYYTN-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL O=S(=O)([N-]c1cccc2ccsc21)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826493160 607685150 /nfs/dbraw/zinc/68/51/50/607685150.db2.gz WKLHDOFSYQYYTN-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1csc2ccc(Cl)cc21 ZINC000432180274 606202846 /nfs/dbraw/zinc/20/28/46/606202846.db2.gz VNVSCBYVZNIOKQ-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL CCN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160613 607209658 /nfs/dbraw/zinc/20/96/58/607209658.db2.gz NNJAXQWBSPHZEI-JTQLQIEISA-N -2 3 389.818 3.588 20 0 GHADHL CCN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160613 607209659 /nfs/dbraw/zinc/20/96/59/607209659.db2.gz NNJAXQWBSPHZEI-JTQLQIEISA-N -2 3 389.818 3.588 20 0 GHADHL CC(C)CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000521111530 835321288 /nfs/dbraw/zinc/32/12/88/835321288.db2.gz VFSDLPHMJAIWPZ-UHFFFAOYSA-N -2 3 377.462 3.539 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccsc1 ZINC000547868825 837320142 /nfs/dbraw/zinc/32/01/42/837320142.db2.gz QGGOLUXXUUVRIS-ZDUSSCGKSA-N -2 3 399.877 3.950 20 0 GHADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000548220571 842205305 /nfs/dbraw/zinc/20/53/05/842205305.db2.gz HEKLNWISXHVLKV-SECBINFHSA-N -2 3 387.807 3.671 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1C(=O)[O-] ZINC000050534471 842698586 /nfs/dbraw/zinc/69/85/86/842698586.db2.gz UMNBDEZZXFZGEL-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3c2ccc(Cl)c3Cl)oc1C(=O)[O-] ZINC000663423559 843552884 /nfs/dbraw/zinc/55/28/84/843552884.db2.gz WCPLDZRAHDFMBV-LLVKDONJSA-N -2 3 390.244 3.559 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c(C)c1C(=O)[O-] ZINC000512795299 845545356 /nfs/dbraw/zinc/54/53/56/845545356.db2.gz QMJWCAMCGQVTKO-UHFFFAOYSA-N -2 3 377.462 3.727 20 0 GHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000511111926 847071171 /nfs/dbraw/zinc/07/11/71/847071171.db2.gz WVNTVLUBGUGJJO-CQSZACIVSA-N -2 3 377.462 3.682 20 0 GHADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000154737454 849366130 /nfs/dbraw/zinc/36/61/30/849366130.db2.gz NYDMDSLEGSSFSB-CQSZACIVSA-N -2 3 395.242 3.648 20 0 GHADHL Cc1nc(C=Cc2cn(-c3ccccc3)nc2C(C)(C)C)[n-]c(=O)c1CC(=O)[O-] ZINC000504729764 850277527 /nfs/dbraw/zinc/27/75/27/850277527.db2.gz KMAKCRNYRRLCHG-ZHACJKMWSA-N -2 3 392.459 3.771 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000440292270 851011434 /nfs/dbraw/zinc/01/14/34/851011434.db2.gz GUEFAUQBKQEHGL-UHFFFAOYSA-N -2 3 387.379 3.989 20 0 GHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COC(C)(C)C)cc1 ZINC000674646438 856604372 /nfs/dbraw/zinc/60/43/72/856604372.db2.gz BVERGAIKYDTWBO-UHFFFAOYSA-N -2 3 393.461 3.515 20 0 GHADHL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)cc2O1 ZINC000442837452 858175380 /nfs/dbraw/zinc/17/53/80/858175380.db2.gz QAMQNCXYIBIUDC-IBGZPJMESA-N -2 3 391.445 3.700 20 0 GHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CCC(C)C)c1 ZINC000028697984 858661998 /nfs/dbraw/zinc/66/19/98/858661998.db2.gz GRRNMLPQIBTPTA-UHFFFAOYSA-N -2 3 392.477 3.576 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C(F)(F)F)c1 ZINC000673493088 859570800 /nfs/dbraw/zinc/57/08/00/859570800.db2.gz SFNGNPUYZRFIFQ-SNVBAGLBSA-N -2 3 391.367 3.531 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1Cl ZINC000327346513 859818712 /nfs/dbraw/zinc/81/87/12/859818712.db2.gz CUALBNXJKKENNC-UHFFFAOYSA-N -2 3 383.853 3.936 20 0 GHADHL CCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000603544819 860816349 /nfs/dbraw/zinc/81/63/49/860816349.db2.gz HFVVBCVUZSEUCN-ZDUSSCGKSA-N -2 3 392.477 3.576 20 0 GHADHL COc1cc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc(Cl)c1[O-] ZINC000062692868 863753614 /nfs/dbraw/zinc/75/36/14/863753614.db2.gz OYBSCZUWACCHOJ-MLRMMBSGSA-N -2 3 376.792 3.802 20 0 GHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000393155947 882170440 /nfs/dbraw/zinc/17/04/40/882170440.db2.gz HKADQMYOZNMPHF-UHFFFAOYSA-N -2 3 383.853 3.935 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1C(=O)[O-] ZINC000447271670 871296856 /nfs/dbraw/zinc/29/68/56/871296856.db2.gz SPLNIHJPSRXTRS-UHFFFAOYSA-N -2 3 375.446 3.852 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(F)c1F ZINC001194011418 871429785 /nfs/dbraw/zinc/42/97/85/871429785.db2.gz AOHGRBKQLJOHLA-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c1 ZINC000539400725 871903136 /nfs/dbraw/zinc/90/31/36/871903136.db2.gz RWLRMWJGFACSPB-UHFFFAOYSA-N -2 3 375.368 3.697 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)cc1F ZINC000768501158 873340118 /nfs/dbraw/zinc/34/01/18/873340118.db2.gz ZCHYAYLNWZAGJF-UHFFFAOYSA-N -2 3 398.843 3.578 20 0 GHADHL O=S(=O)([O-])c1cc([O-])c(NC(=S)NCC2CCCCC2)c2ccccc21 ZINC001199922624 875241301 /nfs/dbraw/zinc/24/13/01/875241301.db2.gz GICKNECVCUJKLZ-UHFFFAOYSA-N -2 3 394.518 3.659 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201799691 875867651 /nfs/dbraw/zinc/86/76/51/875867651.db2.gz WSWXQSFWVMBEQK-UHFFFAOYSA-N -2 3 377.462 3.522 20 0 GHADHL COc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(Cl)cc1C(=O)[O-] ZINC000530667452 878262361 /nfs/dbraw/zinc/26/23/61/878262361.db2.gz BPWNKNKFKJOAHF-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL Cc1nc(C=Cc2ccccc2OCc2ccccc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000193404588 883254852 /nfs/dbraw/zinc/25/48/52/883254852.db2.gz ZNONWUONWORKCH-ACCUITESSA-N -2 3 390.439 3.845 20 0 GHADHL Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000475824387 884348504 /nfs/dbraw/zinc/34/85/04/884348504.db2.gz IHEFATKDLSQENZ-UHFFFAOYSA-N -2 3 382.441 3.864 20 0 GHADHL O=C(Nc1cccc([O-])c1F)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000128794458 892441082 /nfs/dbraw/zinc/44/10/82/892441082.db2.gz MGBMXNDLZIDNDI-UHFFFAOYSA-N -2 3 392.433 3.646 20 0 GHADHL COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)c2=O ZINC000537270439 894682003 /nfs/dbraw/zinc/68/20/03/894682003.db2.gz COGNNUPOQOQQKV-UHFFFAOYSA-N -2 3 397.189 3.941 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCSC)cc1 ZINC000579137543 904370645 /nfs/dbraw/zinc/37/06/45/904370645.db2.gz CXRMSAKOLWOFJQ-UHFFFAOYSA-N -2 3 379.503 3.654 20 0 GHADHL Cc1c(F)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1Cl ZINC001187580863 915375064 /nfs/dbraw/zinc/37/50/64/915375064.db2.gz DSXLLIVWDAGMMJ-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)c(F)cc2F)ccc1Cl ZINC001188312885 915879681 /nfs/dbraw/zinc/87/96/81/915879681.db2.gz YZQDSPHNWMBECQ-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL O=S(=O)([N-]c1ccc([S-])cc1)c1cc(F)c(Br)c(F)c1 ZINC001189036778 916357600 /nfs/dbraw/zinc/35/76/00/916357600.db2.gz MZYTZWUTAWFBNX-UHFFFAOYSA-N -2 3 380.235 3.817 20 0 GHADHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)c1 ZINC001191304578 917906717 /nfs/dbraw/zinc/90/67/17/917906717.db2.gz MXWYXFUAMYUEMV-UHFFFAOYSA-N -2 3 378.194 3.542 20 0 GHADHL CC1CCN(c2ccc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)cc2)CC1 ZINC000749141298 924046003 /nfs/dbraw/zinc/04/60/03/924046003.db2.gz DQJZKCVSFIHPKA-UHFFFAOYSA-N -2 3 392.452 3.561 20 0 GHADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000410417249 925619780 /nfs/dbraw/zinc/61/97/80/925619780.db2.gz JPQCMJZDJUGBCY-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000410416374 925625206 /nfs/dbraw/zinc/62/52/06/925625206.db2.gz GXILFSHZFIIOQT-UHFFFAOYSA-N -2 3 399.472 3.511 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])c1Cl ZINC000562391754 934849004 /nfs/dbraw/zinc/84/90/04/934849004.db2.gz PMSGIUXSFICVNP-PWSUYJOCSA-N -2 3 380.293 3.614 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])c(C)c1 ZINC000013342907 957029853 /nfs/dbraw/zinc/02/98/53/957029853.db2.gz IOOJDMXFHHFILX-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000146169218 958995177 /nfs/dbraw/zinc/99/51/77/958995177.db2.gz JDDAOPIIWFZFHY-SECBINFHSA-N -2 3 398.264 3.688 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc3ccccc32)c(F)cc1Cl ZINC001259212041 960658483 /nfs/dbraw/zinc/65/84/83/960658483.db2.gz CMTQTJHATMGYFB-UHFFFAOYSA-N -2 3 393.823 3.809 20 0 GHADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)[C@H]1CC2CCC1CC2 ZINC000394430617 972712958 /nfs/dbraw/zinc/71/29/58/972712958.db2.gz DXGSDDSEKPQSSI-ZUYNKMSQSA-N -2 3 389.876 3.670 20 0 GHADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)[C@H]1CC2CCC1CC2 ZINC000394430605 972713074 /nfs/dbraw/zinc/71/30/74/972713074.db2.gz DXGSDDSEKPQSSI-HHISKICNSA-N -2 3 389.876 3.670 20 0 GHADHL O=C([O-])c1cccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC001606518255 974015842 /nfs/dbraw/zinc/01/58/42/974015842.db2.gz PJNBHTABWGHSSM-UHFFFAOYSA-N -2 3 378.413 3.512 20 0 GHADHL CC(C)c1ccc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c([O-])c1 ZINC001591942713 976472706 /nfs/dbraw/zinc/47/27/06/976472706.db2.gz ZDRJSYBAWHNZNT-UHFFFAOYSA-N -2 3 377.387 3.911 20 0 GHADHL C[C@H](CCC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001592476958 978238966 /nfs/dbraw/zinc/23/89/66/978238966.db2.gz FVEOIMVCLCDBEE-LLVKDONJSA-N -2 3 375.437 3.690 20 0 GHADHL CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001595622565 981711777 /nfs/dbraw/zinc/71/17/77/981711777.db2.gz UJRSUCLCEXNDBE-ZWNOBZJWSA-N -2 3 377.865 3.815 20 0 GHADHL COc1cc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])cc(OC)c1[O-] ZINC001599387148 996965912 /nfs/dbraw/zinc/96/59/12/996965912.db2.gz DHRUYGZVTWATIS-UHFFFAOYSA-N -2 3 388.397 3.679 20 0 GHADHL C[C@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001594363882 999374343 /nfs/dbraw/zinc/37/43/43/999374343.db2.gz NLIQYIAPUZDJHE-WDEREUQCSA-N -2 3 377.865 3.672 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)c1 ZINC000678821920 1021928708 /nfs/dbraw/zinc/92/87/08/1021928708.db2.gz KTGYBMQBCRAZEH-UHFFFAOYSA-N -2 3 393.408 3.856 20 0 GHADHL CN(C)c1ccccc1-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215471507 1029226394 /nfs/dbraw/zinc/22/63/94/1029226394.db2.gz ZZLSQCTXNUGKJI-UHFFFAOYSA-N -2 3 376.210 3.643 20 0 GHADHL O=P([O-])([O-])CCCCOC1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001225019897 1031214976 /nfs/dbraw/zinc/21/49/76/1031214976.db2.gz BURSTUJWKIMBJD-UHFFFAOYSA-N -2 3 381.331 3.649 20 0 GHADHL C[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1)C1CCOCC1 ZINC001225626195 1031516654 /nfs/dbraw/zinc/51/66/54/1031516654.db2.gz OXGNAJDTEOPWBD-LBPRGKRZSA-N -2 3 398.411 3.771 20 0 GHADHL COC(=O)c1cccc2c(C(=O)Nc3cc(Cl)c(C)c(Cl)c3[O-])n[n-]c21 ZINC001154146593 1031951250 /nfs/dbraw/zinc/95/12/50/1031951250.db2.gz FVCMSBJTQMOUPE-UHFFFAOYSA-N -2 3 394.214 3.923 20 0 GHADHL O=c1c(O[C@@H]2COc3cnccc32)c(-c2ccccc2)oc2cc([O-])cc([O-])c21 ZINC001229773713 1033704169 /nfs/dbraw/zinc/70/41/69/1033704169.db2.gz MATBKYKBHCWTKM-GOSISDBHSA-N -2 3 389.363 3.779 20 0 GHADHL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ccc4nc[nH]c4c3)cc2)c1 ZINC001237918191 1042421850 /nfs/dbraw/zinc/42/18/50/1042421850.db2.gz VKLZWKRSOKUTRG-UHFFFAOYSA-N -2 3 393.424 3.729 20 0 GHADHL CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001291661432 1043380450 /nfs/dbraw/zinc/38/04/50/1043380450.db2.gz SWRNGUPOUYYFIR-LBPRGKRZSA-N -2 3 396.896 3.765 20 0 GHADHL Cc1c(=O)[n-]n(-c2ccccc2)c1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257305794 1043961148 /nfs/dbraw/zinc/96/11/48/1043961148.db2.gz CYGFLPSZQJJDEP-UHFFFAOYSA-N -2 3 398.271 3.994 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccc(Br)s1 ZINC001259052926 1044938907 /nfs/dbraw/zinc/93/89/07/1044938907.db2.gz ZNQKZIXWXDEZPP-UHFFFAOYSA-N -2 3 391.293 3.627 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)c(F)cc1Cl ZINC001259222633 1045018725 /nfs/dbraw/zinc/01/87/25/1045018725.db2.gz ZXNIYMRXZUPRJP-UHFFFAOYSA-N -2 3 399.852 3.871 20 0 GHADHL O=S(=O)([N-]c1ccc2[n-]c(=S)sc2c1)c1ccc(-n2cccn2)cc1 ZINC001259369767 1045104430 /nfs/dbraw/zinc/10/44/30/1045104430.db2.gz SLANFOHNAMOBTM-UHFFFAOYSA-N -2 3 388.499 3.572 20 0 GHADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)ccn1 ZINC001260227571 1045420380 /nfs/dbraw/zinc/42/03/80/1045420380.db2.gz OHNNGZHXLDNLFB-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL Cc1oc(CN(C)C(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1C(=O)[O-] ZINC000738966819 599738355 /nfs/dbraw/zinc/73/83/55/599738355.db2.gz JFFXYPOPPXJCMW-UHFFFAOYSA-N -2 3 379.412 3.855 20 0 GHADHL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000390311536 599981097 /nfs/dbraw/zinc/98/10/97/599981097.db2.gz NWIINUCNVQXHDV-JTQLQIEISA-N -2 3 394.301 3.939 20 0 GHADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000736521187 600488555 /nfs/dbraw/zinc/48/85/55/600488555.db2.gz LPJTUNXQULNZCK-UHFFFAOYSA-N -2 3 377.462 3.854 20 0 GHADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)cc2)nc1 ZINC000738649990 600629511 /nfs/dbraw/zinc/62/95/11/600629511.db2.gz VDSDJGFKCMPMDT-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cccc(Cl)c2Cl)cc1C(=O)[O-] ZINC000833029021 601222334 /nfs/dbraw/zinc/22/23/34/601222334.db2.gz XEJMDVKNQSTLPU-ZETCQYMHSA-N -2 3 378.233 3.633 20 0 GHADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)c1F ZINC000833295733 601230660 /nfs/dbraw/zinc/23/06/60/601230660.db2.gz ZYPPYUJCRICCRC-UHFFFAOYSA-N -2 3 395.427 3.668 20 0 GHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832899811 601326515 /nfs/dbraw/zinc/32/65/15/601326515.db2.gz RXCHTOSRMCYLTO-WDZFZDKYSA-N -2 3 375.446 3.681 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(Cl)cc1F ZINC000063877034 601829598 /nfs/dbraw/zinc/82/95/98/601829598.db2.gz KDYKAEIHTOXXNO-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)C=Cc2ccccc2Cl)c1 ZINC000739918311 602652263 /nfs/dbraw/zinc/65/22/63/602652263.db2.gz QRWOFVFBQOUYKB-CMDGGOBGSA-N -2 3 382.825 3.851 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000827445137 603402964 /nfs/dbraw/zinc/40/29/64/603402964.db2.gz VFDAXFVVHAPQRL-ZDUSSCGKSA-N -2 3 378.450 3.523 20 0 GHADHL O=C([O-])CCc1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n1 ZINC000833241079 604737880 /nfs/dbraw/zinc/73/78/80/604737880.db2.gz VGRBZWZKGPRIDR-UHFFFAOYSA-N -2 3 377.809 3.721 20 0 GHADHL O=c1nc(CSc2ccc(Cl)cc2-c2nnn[n-]2)[n-]c2ccsc21 ZINC000823656936 606629707 /nfs/dbraw/zinc/62/97/07/606629707.db2.gz KHSBLYPEVONIPZ-UHFFFAOYSA-N -2 3 376.854 3.523 20 0 GHADHL O=c1nc(CSc2ccc(Cl)cc2-c2nn[n-]n2)[n-]c2ccsc21 ZINC000823656936 606629709 /nfs/dbraw/zinc/62/97/09/606629709.db2.gz KHSBLYPEVONIPZ-UHFFFAOYSA-N -2 3 376.854 3.523 20 0 GHADHL CSc1ccc(Cl)cc1[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821984801 606674671 /nfs/dbraw/zinc/67/46/71/606674671.db2.gz UAXIRIFZBCPBHB-UHFFFAOYSA-N -2 3 381.795 3.773 20 0 GHADHL O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470263 607961966 /nfs/dbraw/zinc/96/19/66/607961966.db2.gz KFSCOWIXNPJPHQ-UHFFFAOYSA-N -2 3 391.818 3.582 20 0 GHADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1F ZINC000547917020 837535346 /nfs/dbraw/zinc/53/53/46/837535346.db2.gz YMOJXFKYROAHHE-CYBMUJFWSA-N -2 3 392.235 3.627 20 0 GHADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)(CC(=O)[O-])C1 ZINC000547899392 837380674 /nfs/dbraw/zinc/38/06/74/837380674.db2.gz UOUVENCNVJGGBU-BONVTDFDSA-N -2 3 380.293 3.553 20 0 GHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1F ZINC000548220516 842205123 /nfs/dbraw/zinc/20/51/23/842205123.db2.gz FWFLOMCWZVNBQJ-UHFFFAOYSA-N -2 3 399.268 3.622 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(C(=O)[O-])CCCCCC3)c2)n1 ZINC000663031520 842237398 /nfs/dbraw/zinc/23/73/98/842237398.db2.gz HEENMVYPRVGTMS-UHFFFAOYSA-N -2 3 383.448 3.775 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c(C)c1C(=O)[O-] ZINC000512734834 845247250 /nfs/dbraw/zinc/24/72/50/845247250.db2.gz USMNYCQPHZFAMJ-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c(C)c1C(=O)[O-] ZINC000512733045 845256775 /nfs/dbraw/zinc/25/67/75/845256775.db2.gz JOKQVGGATZRZLK-UHFFFAOYSA-N -2 3 391.342 3.960 20 0 GHADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000504665431 850221996 /nfs/dbraw/zinc/22/19/96/850221996.db2.gz FXTKUYULHGDHTM-UHFFFAOYSA-N -2 3 377.462 3.638 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1Cl ZINC000438749041 852802718 /nfs/dbraw/zinc/80/27/18/852802718.db2.gz AXZYLWOPGVXTSQ-UHFFFAOYSA-N -2 3 381.837 3.628 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccnc2-c2csc(C)c2)c1 ZINC000437662144 853393592 /nfs/dbraw/zinc/39/35/92/853393592.db2.gz LOSFSVYASCYNFS-UHFFFAOYSA-N -2 3 376.459 3.634 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000440819238 853640341 /nfs/dbraw/zinc/64/03/41/853640341.db2.gz CAAMVDLBFMPKJQ-UHFFFAOYSA-N -2 3 391.342 3.906 20 0 GHADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OCCC(C)C)ccc1[O-] ZINC000655586868 854923080 /nfs/dbraw/zinc/92/30/80/854923080.db2.gz GGILMKWSXSLHAT-UHFFFAOYSA-N -2 3 392.477 3.576 20 0 GHADHL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000592002903 856566194 /nfs/dbraw/zinc/56/61/94/856566194.db2.gz BAQDNRSWLJJLOP-LBPRGKRZSA-N -2 3 375.446 3.632 20 0 GHADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000024432875 860325275 /nfs/dbraw/zinc/32/52/75/860325275.db2.gz NXXLWOPCUNYWPO-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(CCCCl)cc2)cc1)C(=O)[O-] ZINC000184657236 864811221 /nfs/dbraw/zinc/81/12/21/864811221.db2.gz BEKSEDKZVVXLCQ-AWEZNQCLSA-N -2 3 395.908 3.922 20 0 GHADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1 ZINC000535399957 868692412 /nfs/dbraw/zinc/69/24/12/868692412.db2.gz NCRXABNVZHGRSZ-UHFFFAOYSA-N -2 3 391.489 3.930 20 0 GHADHL O=c1[n-]c(-c2ccc(I)c([O-])c2)nc2ccc(Cl)cc12 ZINC000539532082 869313683 /nfs/dbraw/zinc/31/36/83/869313683.db2.gz BJAJHYRNGBTVEZ-UHFFFAOYSA-N -2 3 398.587 3.966 20 0 GHADHL Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3[S-])c2)o1 ZINC001192267618 870252357 /nfs/dbraw/zinc/25/23/57/870252357.db2.gz WMDMJGFOUMYERW-UHFFFAOYSA-N -2 3 381.866 3.788 20 0 GHADHL Cc1cc(C(C)(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192712943 870635725 /nfs/dbraw/zinc/63/57/25/870635725.db2.gz QLIIHASROUXQLP-UHFFFAOYSA-N -2 3 391.489 3.865 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)c1 ZINC000447277550 871303473 /nfs/dbraw/zinc/30/34/73/871303473.db2.gz JBLYDKNCNXAZFV-UHFFFAOYSA-N -2 3 390.392 3.528 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)c(F)cc1F ZINC001195269376 872295724 /nfs/dbraw/zinc/29/57/24/872295724.db2.gz YYEHMEURUMCPNY-KBPBESRZSA-N -2 3 395.427 3.668 20 0 GHADHL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cnccc3Cl)cc2)c1 ZINC001196067988 872854963 /nfs/dbraw/zinc/85/49/63/872854963.db2.gz JFMZGXWXLZLBDI-UHFFFAOYSA-N -2 3 388.832 3.901 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4[n-]c(=S)oc4c3)c2)n1 ZINC000118878124 886286614 /nfs/dbraw/zinc/28/66/14/886286614.db2.gz UOCLNDYVJLTCNX-UHFFFAOYSA-N -2 3 392.440 3.682 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(C)c1 ZINC000614882986 891536000 /nfs/dbraw/zinc/53/60/00/891536000.db2.gz HKOSMXFIAGGLTN-UHFFFAOYSA-N -2 3 377.462 3.900 20 0 GHADHL CCC(CC)Oc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC001185313614 913801906 /nfs/dbraw/zinc/80/19/06/913801906.db2.gz BJROWURYYDCFDX-UHFFFAOYSA-N -2 3 393.461 3.762 20 0 GHADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(F)c(Cl)cc2Cl)s1 ZINC000739710888 909621918 /nfs/dbraw/zinc/62/19/18/909621918.db2.gz LLXIVTNZRGRWJG-UHFFFAOYSA-N -2 3 378.212 3.644 20 0 GHADHL COc1ccc2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)ccc2c1 ZINC000795368355 910089950 /nfs/dbraw/zinc/08/99/50/910089950.db2.gz YFFJMFUCXOWVFI-UHFFFAOYSA-N -2 3 385.441 3.964 20 0 GHADHL O=C(Nc1ncccc1[O-])c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC001182158669 911215993 /nfs/dbraw/zinc/21/59/93/911215993.db2.gz ZYIVYBHGSHOHIY-UHFFFAOYSA-N -2 3 399.621 3.891 20 0 GHADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC001188312559 915879150 /nfs/dbraw/zinc/87/91/50/915879150.db2.gz RYJNZDPSEMHTMK-UHFFFAOYSA-N -2 3 396.896 3.994 20 0 GHADHL O=c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)n(C2CCCC2)[n-]1 ZINC001190296590 917253782 /nfs/dbraw/zinc/25/37/82/917253782.db2.gz WGSWUIKRKHIDQZ-UHFFFAOYSA-N -2 3 393.362 3.663 20 0 GHADHL CC1(C)CCc2cc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)ccc2O1 ZINC001192145379 918438876 /nfs/dbraw/zinc/43/88/76/918438876.db2.gz GTDBGIYOTDIKEM-UHFFFAOYSA-N -2 3 389.473 3.608 20 0 GHADHL C[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3[O-])c2-c2nnn[n-]2)C1 ZINC001576217276 950753667 /nfs/dbraw/zinc/75/36/67/950753667.db2.gz LPQHMZCQTHXZMS-MRVPVSSYSA-N -2 3 389.868 3.664 20 0 GHADHL C[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3[O-])c2-c2nn[n-]n2)C1 ZINC001576217276 950753689 /nfs/dbraw/zinc/75/36/89/950753689.db2.gz LPQHMZCQTHXZMS-MRVPVSSYSA-N -2 3 389.868 3.664 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)ccc1C(=O)[O-] ZINC000832904445 979054256 /nfs/dbraw/zinc/05/42/56/979054256.db2.gz NTVYTILUWBVMIN-UHFFFAOYSA-N -2 3 385.445 3.638 20 0 GHADHL CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001595622562 981711819 /nfs/dbraw/zinc/71/18/19/981711819.db2.gz UJRSUCLCEXNDBE-GWCFXTLKSA-N -2 3 377.865 3.815 20 0 GHADHL CCCCOc1ccc(C(=O)NC[C@@](CC)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC001595776903 982545948 /nfs/dbraw/zinc/54/59/48/982545948.db2.gz MLQVPUQRYBXBQW-JOCHJYFZSA-N -2 3 385.460 3.734 20 0 GHADHL CC(C)(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001589727978 987926094 /nfs/dbraw/zinc/92/60/94/987926094.db2.gz DEWMMKFIRHTFHU-RYUDHWBXSA-N -2 3 377.865 3.670 20 0 GHADHL CN(C(=O)Cc1ccc([O-])c(F)c1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598036934 990265311 /nfs/dbraw/zinc/26/53/11/990265311.db2.gz SOLJXVSQCXOGPZ-INIZCTEOSA-N -2 3 386.206 3.665 20 0 GHADHL CC(C)(C[N-]S(=O)(=O)c1occc1C(=O)[O-])c1c(Cl)cccc1Cl ZINC001590774150 990575758 /nfs/dbraw/zinc/57/57/58/990575758.db2.gz DEEFLJQEMWKWPZ-UHFFFAOYSA-N -2 3 392.260 3.541 20 0 GHADHL CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Oc2nc3ncnc-3c([S-])[n-]2)C1 ZINC001226781380 1032125540 /nfs/dbraw/zinc/12/55/40/1032125540.db2.gz FXWKCTKRPOXEBB-ZDUSSCGKSA-N -2 3 399.476 3.512 20 0 GHADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)[C@@H](C)c1ccccc1 ZINC001593326332 994876223 /nfs/dbraw/zinc/87/62/23/994876223.db2.gz KDFKTHLIKYWXBO-MNOVXSKESA-N -2 3 385.844 3.648 20 0 GHADHL COc1ccc(C(=O)N2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)c([O-])c1 ZINC001599480701 996773858 /nfs/dbraw/zinc/77/38/58/996773858.db2.gz JDGZARJDGOHXSD-UHFFFAOYSA-N -2 3 394.427 3.600 20 0 GHADHL COc1ccc([C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C(=O)[O-])cc1 ZINC001599525302 997548369 /nfs/dbraw/zinc/54/83/69/997548369.db2.gz QBDIPPYYUGRYPN-HXUWFJFHSA-N -2 3 393.395 3.749 20 0 GHADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1Cl ZINC001599421437 997601987 /nfs/dbraw/zinc/60/19/87/997601987.db2.gz ZNCNTTFVIQVUFD-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL COc1ccc([C@@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)C(C)C)cc1 ZINC001227598385 1032478881 /nfs/dbraw/zinc/47/88/81/1032478881.db2.gz WKFZUUDVKOLRRK-LBPRGKRZSA-N -2 3 393.241 3.606 20 0 GHADHL CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000749142772 1021758315 /nfs/dbraw/zinc/75/83/15/1021758315.db2.gz LJHSSMNZWAQNDO-UHFFFAOYSA-N -2 3 379.409 3.554 20 0 GHADHL CCCOC[C@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1 ZINC001225626741 1031517124 /nfs/dbraw/zinc/51/71/24/1031517124.db2.gz UIQVFJAFLGMTKA-LBPRGKRZSA-N -2 3 386.400 3.771 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC[C@@H]2CCCCO2)cc1 ZINC001229672265 1033631752 /nfs/dbraw/zinc/63/17/52/1033631752.db2.gz QFYMDJYDLSBSAX-INIZCTEOSA-N -2 3 398.411 3.828 20 0 GHADHL CCC[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)C(=O)OCC ZINC001229771543 1033702211 /nfs/dbraw/zinc/70/22/11/1033702211.db2.gz INJLWUDQESLIFC-MRXNPFEDSA-N -2 3 398.411 3.982 20 0 GHADHL O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc2ccc(O)cc2c1[O-] ZINC001161203731 1035179286 /nfs/dbraw/zinc/17/92/86/1035179286.db2.gz QPOFCTSUOKLPEI-UHFFFAOYSA-N -2 3 396.790 3.647 20 0 GHADHL O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc2ccc(O)cc2c1[O-] ZINC001161203731 1035179291 /nfs/dbraw/zinc/17/92/91/1035179291.db2.gz QPOFCTSUOKLPEI-UHFFFAOYSA-N -2 3 396.790 3.647 20 0 GHADHL O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241290103 1035550596 /nfs/dbraw/zinc/55/05/96/1035550596.db2.gz KVUMVAOFAULYIR-UHFFFAOYSA-N -2 3 398.337 3.811 20 0 GHADHL Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cn2)cc([O-])c1F ZINC001244509038 1036524323 /nfs/dbraw/zinc/52/43/23/1036524323.db2.gz YEWFLIHFAYVZCK-UHFFFAOYSA-N -2 3 394.374 3.981 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c(Cl)c1 ZINC001259212205 1045012628 /nfs/dbraw/zinc/01/26/28/1045012628.db2.gz IXIVFTWYTAGLRP-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2C2CC2)c(F)cc1Cl ZINC001259222182 1045018008 /nfs/dbraw/zinc/01/80/08/1045018008.db2.gz LBVROXDYGFBYEM-UHFFFAOYSA-N -2 3 383.828 3.533 20 0 GHADHL O=C(Nc1ccc(Cl)cc1[O-])c1cccc(I)c1[O-] ZINC001295972870 1045203171 /nfs/dbraw/zinc/20/31/71/1045203171.db2.gz VCNCILNPFFAHSI-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL O=S(=O)([N-]c1cncc([O-])c1)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC001260335223 1045465886 /nfs/dbraw/zinc/46/58/86/1045465886.db2.gz WDKKHWRAIGEXIQ-UHFFFAOYSA-N -2 3 387.166 3.914 20 0 GHADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Br)c([O-])c1 ZINC001320805383 1055968956 /nfs/dbraw/zinc/96/89/56/1055968956.db2.gz GPDMYEKZLXXEOB-UHFFFAOYSA-N -2 3 376.659 3.917 20 0 GHADHL O=C([N-][C@@H](c1nn[n-]n1)c1ccccc1)C(F)(F)c1cccc(Cl)c1Cl ZINC001454256522 1061670339 /nfs/dbraw/zinc/67/03/39/1061670339.db2.gz VICCVVLWLKZLMO-CYBMUJFWSA-N -2 3 398.200 3.504 20 0 GHADHL O=C([N-][C@@H](c1nnn[n-]1)c1ccccc1)C(F)(F)c1cccc(Cl)c1Cl ZINC001454256522 1061670353 /nfs/dbraw/zinc/67/03/53/1061670353.db2.gz VICCVVLWLKZLMO-CYBMUJFWSA-N -2 3 398.200 3.504 20 0 GHADHL CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c1 ZINC001456033603 1062422374 /nfs/dbraw/zinc/42/23/74/1062422374.db2.gz FZVLBSLNPMJNKV-UHFFFAOYSA-N -2 3 396.374 3.671 20 0 GHADHL CC(C)c1ccc(C(=O)Nc2ccc(-n3[n-]c(C4CC4)cc3=O)nc2)c([O-])c1 ZINC001470332414 1068685674 /nfs/dbraw/zinc/68/56/74/1068685674.db2.gz XDDLXAXQYRVFDX-UHFFFAOYSA-N -2 3 378.432 3.666 20 0 GHADHL O=C([O-])c1ccccc1COc1cccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000738213819 598585953 /nfs/dbraw/zinc/58/59/53/598585953.db2.gz HUAVTMQMVJYWAO-NTMALXAHSA-N -2 3 399.410 3.709 20 0 GHADHL O=C([O-])c1ccccc1COc1cccc(C=Cc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000738213819 598585955 /nfs/dbraw/zinc/58/59/55/598585955.db2.gz HUAVTMQMVJYWAO-NTMALXAHSA-N -2 3 399.410 3.709 20 0 GHADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)c(Cl)c1 ZINC000736323573 599776743 /nfs/dbraw/zinc/77/67/43/599776743.db2.gz HWIQDSVLJHPOEP-UHFFFAOYSA-N -2 3 392.260 3.541 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCCC2)c(C)c1 ZINC000738357612 600103579 /nfs/dbraw/zinc/10/35/79/600103579.db2.gz KWYXMVIJTXBEBO-UHFFFAOYSA-N -2 3 388.489 3.711 20 0 GHADHL O=C([O-])Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000739880160 600465111 /nfs/dbraw/zinc/46/51/11/600465111.db2.gz VJDKXDYQJHIADP-UHFFFAOYSA-N -2 3 377.396 3.851 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)cc1C(=O)[O-] ZINC000467749617 600867977 /nfs/dbraw/zinc/86/79/77/600867977.db2.gz PNQKLIIWHMEHHZ-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000747620857 601335158 /nfs/dbraw/zinc/33/51/58/601335158.db2.gz JJWIJWYCRZYUCP-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c(Cl)cc1F ZINC000548199055 602101150 /nfs/dbraw/zinc/10/11/50/602101150.db2.gz QUJNWIZGRGWHMJ-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c(Cl)cc1Cl ZINC000833303092 604662755 /nfs/dbraw/zinc/66/27/55/604662755.db2.gz HVKQVBJLNJMIPF-SSDOTTSWSA-N -2 3 388.219 3.548 20 0 GHADHL CC(C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000584442420 834623958 /nfs/dbraw/zinc/62/39/58/834623958.db2.gz MIPAPYXPWHEHKV-JCBKOVKPSA-N -2 3 376.359 3.836 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccsc1 ZINC000547868824 837320394 /nfs/dbraw/zinc/32/03/94/837320394.db2.gz QGGOLUXXUUVRIS-CYBMUJFWSA-N -2 3 399.877 3.950 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c(C)c1CC(=O)[O-] ZINC000543865770 839449471 /nfs/dbraw/zinc/44/94/71/839449471.db2.gz LJOKNNYNJMILHT-UHFFFAOYSA-N -2 3 391.489 3.827 20 0 GHADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000548264538 842335089 /nfs/dbraw/zinc/33/50/89/842335089.db2.gz SMDQDKMWSARKQR-LBPRGKRZSA-N -2 3 388.272 3.530 20 0 GHADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000521539081 858104198 /nfs/dbraw/zinc/10/41/98/858104198.db2.gz HCDFMUXZFVVRER-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL Cc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(C)c1OCc1ccccn1 ZINC000670369953 858299211 /nfs/dbraw/zinc/29/92/11/858299211.db2.gz MSMZTSLHTJFUCL-SREVYHEPSA-N -2 3 377.400 3.642 20 0 GHADHL CCOc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)c(C(=O)[O-])cc1OCC ZINC000620709130 867118437 /nfs/dbraw/zinc/11/84/37/867118437.db2.gz HDKYICZIEPXLGS-UHFFFAOYSA-N -2 3 393.461 3.600 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)cc(F)c1Cl ZINC000793323870 882100279 /nfs/dbraw/zinc/10/02/79/882100279.db2.gz XNTMDZXITBMMJN-VIFPVBQESA-N -2 3 399.818 3.671 20 0 GHADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1 ZINC000793379479 882141339 /nfs/dbraw/zinc/14/13/39/882141339.db2.gz COMNCAICKMETQI-LBPRGKRZSA-N -2 3 381.425 3.810 20 0 GHADHL CSCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1 ZINC000793389957 882165472 /nfs/dbraw/zinc/16/54/72/882165472.db2.gz ZVDPVWXMECVCBS-UHFFFAOYSA-N -2 3 383.466 3.539 20 0 GHADHL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)nc3F)cc2)c1 ZINC001196075654 872864311 /nfs/dbraw/zinc/86/43/11/872864311.db2.gz RYFLPCHBHJTIJK-UHFFFAOYSA-N -2 3 390.367 3.526 20 0 GHADHL CCOc1c(Cl)cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1Cl ZINC000464536227 874057438 /nfs/dbraw/zinc/05/74/38/874057438.db2.gz SBSCNIMPAOTOOU-UHFFFAOYSA-N -2 3 392.260 3.907 20 0 GHADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC1CCCC1 ZINC000776553660 877998968 /nfs/dbraw/zinc/99/89/68/877998968.db2.gz YTSDJZCVHNNAQN-LLVKDONJSA-N -2 3 380.293 3.553 20 0 GHADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000147802381 879164692 /nfs/dbraw/zinc/16/46/92/879164692.db2.gz IIFXJULPLMMPOO-UHFFFAOYSA-N -2 3 394.630 3.503 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000327950912 884243449 /nfs/dbraw/zinc/24/34/49/884243449.db2.gz RYPHCFIABWXXCD-UHFFFAOYSA-N -2 3 391.779 3.749 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nccs3)cc2)cc1C(=O)[O-] ZINC001184695604 913361458 /nfs/dbraw/zinc/36/14/58/913361458.db2.gz AFZSABQHAGGWLP-UHFFFAOYSA-N -2 3 390.442 3.743 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)c1Br ZINC001184703581 913369850 /nfs/dbraw/zinc/36/98/50/913369850.db2.gz OYEYJLMXUFVCLT-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1C(=O)[O-] ZINC000533534294 890776343 /nfs/dbraw/zinc/77/63/43/890776343.db2.gz CJSHDDQFJVIBNQ-UHFFFAOYSA-N -2 3 377.462 3.844 20 0 GHADHL O=C(Nc1ccc(Cl)cc1[O-])c1ccc(I)cc1[O-] ZINC001138015268 894051752 /nfs/dbraw/zinc/05/17/52/894051752.db2.gz YDWOTBNFTFVSHQ-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL Cc1cccc2nc(-c3ccc(I)c([O-])c3)[n-]c(=O)c12 ZINC000537331560 894786304 /nfs/dbraw/zinc/78/63/04/894786304.db2.gz NBAQZNOBYQYSEC-UHFFFAOYSA-N -2 3 378.169 3.621 20 0 GHADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc3ccccc3c(C(=O)[O-])c2)no1 ZINC000795340474 909987268 /nfs/dbraw/zinc/98/72/68/909987268.db2.gz UIWOLFRNBJBAED-UHFFFAOYSA-N -2 3 388.445 3.765 20 0 GHADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc3ocnc3cc2Cl)c1 ZINC001187580957 915375740 /nfs/dbraw/zinc/37/57/40/915375740.db2.gz GPVVYVYQJMSRIU-UHFFFAOYSA-N -2 3 387.200 3.634 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)cc1[O-])C1=Cc2ccccc2OCC1 ZINC000775281108 916809355 /nfs/dbraw/zinc/80/93/55/916809355.db2.gz QFCUWQPQUGTFLS-UHFFFAOYSA-N -2 3 396.262 3.720 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1F ZINC000410421957 925633248 /nfs/dbraw/zinc/63/32/48/925633248.db2.gz UEIXSSPNYATVEV-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C\c1ccccc1F ZINC000799922059 933169415 /nfs/dbraw/zinc/16/94/15/933169415.db2.gz CHDOUWZQKCGNDB-LUAWRHEFSA-N -2 3 379.409 3.725 20 0 GHADHL O=C([O-])c1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])ccc1O ZINC001595209341 952356847 /nfs/dbraw/zinc/35/68/47/952356847.db2.gz CNAUCVJEMVHTQR-UHFFFAOYSA-N -2 3 379.368 3.627 20 0 GHADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCCC1 ZINC000390913924 972307358 /nfs/dbraw/zinc/30/73/58/972307358.db2.gz RSYBDAQQEVKXSM-UHFFFAOYSA-N -2 3 380.293 3.697 20 0 GHADHL O=C([O-])CC[C@H]1CCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC001606122956 973362863 /nfs/dbraw/zinc/36/28/63/973362863.db2.gz GVUZNWQHQHUMQV-GFCCVEGCSA-N -2 3 387.461 3.876 20 0 GHADHL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001591760861 975842593 /nfs/dbraw/zinc/84/25/93/975842593.db2.gz BNMDSFWROMMEIE-UHFFFAOYSA-N -2 3 375.396 3.978 20 0 GHADHL CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001595129170 979532228 /nfs/dbraw/zinc/53/22/28/979532228.db2.gz DWFZWDBNTGBJMN-AWEZNQCLSA-N -2 3 399.871 3.867 20 0 GHADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CCCCCC1 ZINC001599903098 984877101 /nfs/dbraw/zinc/87/71/01/984877101.db2.gz WIVHCIQFAYCBCG-JTQLQIEISA-N -2 3 377.865 3.815 20 0 GHADHL CCOc1cc(CN2CCOc3cc(C(=O)[O-])ccc3C2)cc(Cl)c1[O-] ZINC001597032296 986454538 /nfs/dbraw/zinc/45/45/38/986454538.db2.gz QXWNSMHFWGMECM-UHFFFAOYSA-N -2 3 377.824 3.537 20 0 GHADHL CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001597256678 987258908 /nfs/dbraw/zinc/25/89/08/987258908.db2.gz MQHPGCVCSJMNTE-ZJUUUORDSA-N -2 3 395.905 3.520 20 0 GHADHL CCc1ccc([O-])c(C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)c1 ZINC001597557078 988293279 /nfs/dbraw/zinc/29/32/79/988293279.db2.gz VJEXZDKOWAEWAH-UHFFFAOYSA-N -2 3 381.350 3.700 20 0 GHADHL CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001598516868 992626080 /nfs/dbraw/zinc/62/60/80/992626080.db2.gz OOOFYQNHOSWBMX-UHFFFAOYSA-N -2 3 378.384 3.550 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])c(C)c1 ZINC001599616740 994024244 /nfs/dbraw/zinc/02/42/44/994024244.db2.gz NZAPLBYQLUBGPP-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL C[C@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)c1ccc(C(=O)[O-])o1 ZINC001593680207 996106935 /nfs/dbraw/zinc/10/69/35/996106935.db2.gz XHPVOLCGCYPQCS-NSHDSACASA-N -2 3 396.428 3.725 20 0 GHADHL CC1(C)CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@H](c2ccccc2)C1 ZINC001593882463 996713823 /nfs/dbraw/zinc/71/38/23/996713823.db2.gz SMLXJAHGWYAFSG-HOTGVXAUSA-N -2 3 377.462 3.619 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1C(=O)[O-] ZINC000564493245 1019081682 /nfs/dbraw/zinc/08/16/82/1019081682.db2.gz ZMWZOCAOWIMRGC-UHFFFAOYSA-N -2 3 398.440 3.935 20 0 GHADHL O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(I)c1[O-] ZINC000755560608 1023294530 /nfs/dbraw/zinc/29/45/30/1023294530.db2.gz BCPVXTQYSQAXHG-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL CC(C)(C)C(=N)Nc1c2c(OP(=O)([O-])[O-])c[nH]c2ccc1Br ZINC001162660097 1025856260 /nfs/dbraw/zinc/85/62/60/1025856260.db2.gz DGZKWNMUHWMSKZ-UHFFFAOYSA-N -2 3 390.174 3.837 20 0 GHADHL COc1ccc(F)c(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1 ZINC001215470776 1029223911 /nfs/dbraw/zinc/22/39/11/1029223911.db2.gz DJEGSZGTVVAZTQ-UHFFFAOYSA-N -2 3 381.157 3.725 20 0 GHADHL CC(=O)c1ccccc1-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215470908 1029225308 /nfs/dbraw/zinc/22/53/08/1029225308.db2.gz IBLLHNMLCAPKFJ-UHFFFAOYSA-N -2 3 375.178 3.780 20 0 GHADHL COc1cc(OC)cc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1 ZINC001215471245 1029227318 /nfs/dbraw/zinc/22/73/18/1029227318.db2.gz SLBOXNQRKFZSEM-UHFFFAOYSA-N -2 3 393.193 3.595 20 0 GHADHL O=c1c(O[C@H]2C[C@H]3C=C[C@@H]2C3)c(-c2ccc(O)cc2)oc2cc([O-])cc([O-])c12 ZINC001225627296 1031517638 /nfs/dbraw/zinc/51/76/38/1031517638.db2.gz YMQPCFZPYGXIIB-PPHDSNJXSA-N -2 3 378.380 3.920 20 0 GHADHL C[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1)c1cnccn1 ZINC001225627732 1031517674 /nfs/dbraw/zinc/51/76/74/1031517674.db2.gz GLNWPPPKBQGUOC-LLVKDONJSA-N -2 3 392.367 3.507 20 0 GHADHL O=c1c(OCCOC2CCCC2)c(-c2ccc(O)cc2)oc2cc([O-])cc([O-])c12 ZINC001225627870 1031517818 /nfs/dbraw/zinc/51/78/18/1031517818.db2.gz ITKKOVPXMCKHEN-UHFFFAOYSA-N -2 3 398.411 3.915 20 0 GHADHL CC(C)=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001154272172 1032015920 /nfs/dbraw/zinc/01/59/20/1032015920.db2.gz ZUFBAAUPSKADAS-UHFFFAOYSA-N -2 3 394.880 3.542 20 0 GHADHL C[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)c1cncnc1 ZINC001229772696 1033702040 /nfs/dbraw/zinc/70/20/40/1033702040.db2.gz DAOZZCWBANKKCE-LBPRGKRZSA-N -2 3 376.368 3.801 20 0 GHADHL CCOC(=O)[C@H](CC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001229773742 1033704278 /nfs/dbraw/zinc/70/42/78/1033704278.db2.gz MPNWTJUQUKPQMT-HNNXBMFYSA-N -2 3 384.384 3.592 20 0 GHADHL CCCCS(=O)(=O)[N-]c1c([O-])c(C(C)=O)ccc1OCc1ccccc1 ZINC001253871537 1039872844 /nfs/dbraw/zinc/87/28/44/1039872844.db2.gz UEEPEEUWPXPBBO-UHFFFAOYSA-N -2 3 377.462 3.716 20 0 GHADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2[S-])cc1 ZINC001259177793 1044993798 /nfs/dbraw/zinc/99/37/98/1044993798.db2.gz UTNURZZZHYPIRF-UHFFFAOYSA-N -2 3 386.292 3.741 20 0 GHADHL CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[S-])c1 ZINC001260809933 1045675838 /nfs/dbraw/zinc/67/58/38/1045675838.db2.gz QKJWSJSPAGNBKD-UHFFFAOYSA-N -2 3 390.408 3.753 20 0 GHADHL C=CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001260877953 1045735343 /nfs/dbraw/zinc/73/53/43/1045735343.db2.gz KRSOMZVRYNTXGT-UHFFFAOYSA-N -2 3 387.244 3.624 20 0 GHADHL O=S(=O)([N-]C1(C(F)(F)F)CCCC1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260882100 1045739501 /nfs/dbraw/zinc/73/95/01/1045739501.db2.gz YUJLBZIIUYSGKY-UHFFFAOYSA-N -2 3 378.199 3.852 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC001200152297 1065386455 /nfs/dbraw/zinc/38/64/55/1065386455.db2.gz ZRNFKLWBEFARLT-UHFFFAOYSA-N -2 3 391.832 3.786 20 0 GHADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1c(Cl)cccc1Cl ZINC000736323408 599779112 /nfs/dbraw/zinc/77/91/12/599779112.db2.gz CDZMDMOCVCDZKP-UHFFFAOYSA-N -2 3 392.260 3.541 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(F)c1 ZINC000327644673 600234930 /nfs/dbraw/zinc/23/49/30/600234930.db2.gz UBCYGFWESOXJJV-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(Cl)cc1F ZINC000063877046 601829991 /nfs/dbraw/zinc/82/99/91/601829991.db2.gz DFYJFFSTPYGZBB-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL O=C([O-])c1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)s1 ZINC000833316428 601890769 /nfs/dbraw/zinc/89/07/69/601890769.db2.gz GKDOXLSVSDIUJM-UHFFFAOYSA-N -2 3 384.442 3.573 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)c2)n1 ZINC000739535753 602484618 /nfs/dbraw/zinc/48/46/18/602484618.db2.gz FQYDDVJQIGVPKQ-UHFFFAOYSA-N -2 3 396.378 3.893 20 0 GHADHL O=S(=O)([N-]c1cccc2ccsc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826492783 607684654 /nfs/dbraw/zinc/68/46/54/607684654.db2.gz CTNHVZALNPGRQB-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL O=S(=O)([N-]c1cccc2ccsc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826492783 607684656 /nfs/dbraw/zinc/68/46/56/607684656.db2.gz CTNHVZALNPGRQB-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL COc1ccc(-c2csc3[n-]c(-c4cc(C(=O)[O-])ccn4)nc(=O)c23)cc1 ZINC000832124674 604971709 /nfs/dbraw/zinc/97/17/09/604971709.db2.gz XCRIUULIVCUXTM-UHFFFAOYSA-N -2 3 379.397 3.833 20 0 GHADHL O=C(Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)c1ccccc1[O-] ZINC000094015708 834712517 /nfs/dbraw/zinc/71/25/17/834712517.db2.gz WMYPRHDPOUUTCT-UHFFFAOYSA-N -2 3 392.433 3.646 20 0 GHADHL O=C(Nc1cc(NC(=O)c2ccccc2[O-])c(F)cc1F)c1ccccc1[O-] ZINC000151082602 834799269 /nfs/dbraw/zinc/79/92/69/834799269.db2.gz RQQKKWNQORJQFJ-UHFFFAOYSA-N -2 3 384.338 3.881 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccccc2C(=O)[O-])c1Cl ZINC000566966839 835877585 /nfs/dbraw/zinc/87/75/85/835877585.db2.gz YRNSRBUQTDZLTN-UHFFFAOYSA-N -2 3 388.272 3.521 20 0 GHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000580808805 840218741 /nfs/dbraw/zinc/21/87/41/840218741.db2.gz SMCBMOYVMSZGPK-UHFFFAOYSA-N -2 3 387.379 3.907 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)c(C)c1 ZINC000511711734 840544202 /nfs/dbraw/zinc/54/42/02/840544202.db2.gz IOSDPTYDWBGGOR-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000548267884 842343337 /nfs/dbraw/zinc/34/33/37/842343337.db2.gz CUSBGHYPWOTAOQ-HNNXBMFYSA-N -2 3 397.811 3.638 20 0 GHADHL CCOc1cc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc(Cl)c1[O-] ZINC000007353389 861421331 /nfs/dbraw/zinc/42/13/31/861421331.db2.gz YPAPARHYXKOURT-GQCTYLIASA-N -2 3 390.819 3.976 20 0 GHADHL O=C(Nc1ccc(Cl)cc1[O-])c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000179642396 861680081 /nfs/dbraw/zinc/68/00/81/861680081.db2.gz PKTXSWDUNNFKKW-UHFFFAOYSA-N -2 3 393.624 3.902 20 0 GHADHL O=C([O-])c1ccccc1COc1cccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000731563247 861714165 /nfs/dbraw/zinc/71/41/65/861714165.db2.gz NKCFYOCSIOWBTE-FYJGNVAPSA-N -2 3 399.402 3.774 20 0 GHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000504695433 850242440 /nfs/dbraw/zinc/24/24/40/850242440.db2.gz OTVACZDHAWDAOE-ZDUSSCGKSA-N -2 3 395.502 3.841 20 0 GHADHL O=C([O-])C[C@@H](c1ccccc1)C1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000910032233 850953629 /nfs/dbraw/zinc/95/36/29/850953629.db2.gz LQIGDGIZKAQSMZ-SFHVURJKSA-N -2 3 385.435 3.571 20 0 GHADHL [O-]c1ccccc1-c1nc(CSc2n[n-]c(=NC3CCCCC3)s2)no1 ZINC000436778999 852313075 /nfs/dbraw/zinc/31/30/75/852313075.db2.gz UEJLGUHVWHDEMM-UHFFFAOYSA-N -2 3 389.506 3.753 20 0 GHADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1nnc2ccccc2c1[O-] ZINC000156590348 853882065 /nfs/dbraw/zinc/88/20/65/853882065.db2.gz OHGJHJAAJNJNIB-UHFFFAOYSA-N -2 3 384.606 3.841 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000589937943 855200166 /nfs/dbraw/zinc/20/01/66/855200166.db2.gz AWZFMTKXJGJYHS-UHFFFAOYSA-N -2 3 377.462 3.882 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3(C(=O)[O-])CCCCCC3)c2)n1 ZINC000055149676 855279931 /nfs/dbraw/zinc/27/99/31/855279931.db2.gz GGYAAVFBCNHSKU-UHFFFAOYSA-N -2 3 397.475 3.753 20 0 GHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1C(=O)[O-] ZINC000574013395 856856741 /nfs/dbraw/zinc/85/67/41/856856741.db2.gz PNTHQKCEWUOTAK-UHFFFAOYSA-N -2 3 391.342 3.738 20 0 GHADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000542936694 856959283 /nfs/dbraw/zinc/95/92/83/856959283.db2.gz STLPKAXAARHKFD-HNNXBMFYSA-N -2 3 391.489 3.747 20 0 GHADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000542936695 856959577 /nfs/dbraw/zinc/95/95/77/856959577.db2.gz STLPKAXAARHKFD-OAHLLOKOSA-N -2 3 391.489 3.747 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1C ZINC000484923694 860499868 /nfs/dbraw/zinc/49/98/68/860499868.db2.gz LMAKQPJMQMWXTC-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL O=C(Nc1ccc([O-])c(Cl)c1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000182876601 863388731 /nfs/dbraw/zinc/38/87/31/863388731.db2.gz LBOVOFUYQSRXDJ-UHFFFAOYSA-N -2 3 393.624 3.902 20 0 GHADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000325295070 864668567 /nfs/dbraw/zinc/66/85/67/864668567.db2.gz YENOCCSLNSKENV-NSHDSACASA-N -2 3 387.807 3.527 20 0 GHADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)c1)CCCC2 ZINC000614739358 865948687 /nfs/dbraw/zinc/94/86/87/865948687.db2.gz QADQUWLTYKXJRY-UHFFFAOYSA-N -2 3 397.399 3.666 20 0 GHADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc(Cl)c3F)c1)CCCC2 ZINC000614758559 866163500 /nfs/dbraw/zinc/16/35/00/866163500.db2.gz LLGHWPPZBZUZTM-UHFFFAOYSA-N -2 3 383.828 3.857 20 0 GHADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000614781421 866368536 /nfs/dbraw/zinc/36/85/36/866368536.db2.gz ULIHQPWURJOXQI-UHFFFAOYSA-N -2 3 381.425 3.750 20 0 GHADHL Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)c2)n1 ZINC000156356473 868336819 /nfs/dbraw/zinc/33/68/19/868336819.db2.gz XXYPRDTVQNVEFY-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)c1 ZINC000540497800 871428077 /nfs/dbraw/zinc/42/80/77/871428077.db2.gz FBSUIHXVPVUIIZ-UHFFFAOYSA-N -2 3 376.478 3.946 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000506710702 871489522 /nfs/dbraw/zinc/48/95/22/871489522.db2.gz IYQIKNPUJLOWNW-UHFFFAOYSA-N -2 3 377.462 3.981 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccc(F)cc2)c(F)cc1F ZINC001195263789 872291560 /nfs/dbraw/zinc/29/15/60/872291560.db2.gz JAUUBCWWYLPYMD-MRXNPFEDSA-N -2 3 399.390 3.622 20 0 GHADHL O=C(Nc1cc(Br)ccc1[O-])c1ccc(Br)c([O-])c1 ZINC000132588631 881316617 /nfs/dbraw/zinc/31/66/17/881316617.db2.gz YMQAUQLSMRRWBQ-UHFFFAOYSA-N -2 3 387.027 3.875 20 0 GHADHL CC[C@@H]1CCc2c(sc3[n-]c(COc4ccccc4C(=O)[O-])nc(=O)c23)C1 ZINC000194399233 883803337 /nfs/dbraw/zinc/80/33/37/883803337.db2.gz OGWGNKOHPBQKKU-LLVKDONJSA-N -2 3 384.457 3.777 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)c(F)c2)cc1C(=O)[O-] ZINC001184702802 913369037 /nfs/dbraw/zinc/36/90/37/913369037.db2.gz FPEKJBKYKCWISW-UHFFFAOYSA-N -2 3 381.425 3.668 20 0 GHADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c([O-])c1 ZINC001185137599 913657889 /nfs/dbraw/zinc/65/78/89/913657889.db2.gz GUZQPRSDBUGCED-UHFFFAOYSA-N -2 3 399.415 3.568 20 0 GHADHL CCc1nc(SC/C=C/CSc2nc(CC)c(C)c(=O)[n-]2)[n-]c(=O)c1C ZINC000563441247 893727237 /nfs/dbraw/zinc/72/72/37/893727237.db2.gz YTPVPTNLNBQCNE-BQYQJAHWSA-N -2 3 392.550 3.860 20 0 GHADHL Cc1cnc(SCC2CCC(CSc3ncc(C)c(=O)[n-]3)CC2)[n-]c1=O ZINC000565903320 895968532 /nfs/dbraw/zinc/96/85/32/895968532.db2.gz GZQRLJVPVPELRP-UHFFFAOYSA-N -2 3 392.550 3.985 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1OC(F)(F)F ZINC001186189190 914349818 /nfs/dbraw/zinc/34/98/18/914349818.db2.gz XIIFXWNIGRXGAM-UHFFFAOYSA-N -2 3 393.314 3.532 20 0 GHADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c([O-])c1 ZINC001189696506 916836378 /nfs/dbraw/zinc/83/63/78/916836378.db2.gz DUFLUORPHRAGNX-UHFFFAOYSA-N -2 3 399.415 3.568 20 0 GHADHL O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc([O-])c(F)c1 ZINC000681017607 925694314 /nfs/dbraw/zinc/69/43/14/925694314.db2.gz ICEJMRPTWRPBOP-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc(C(=O)[O-])c1Cl ZINC000759092424 930271112 /nfs/dbraw/zinc/27/11/12/930271112.db2.gz UZNFXTCLPWUOQM-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL C[C@H]1O[C@@H](C)Cc2c(C(=O)[O-])c(NC(=O)c3c[n-]c4ccccc4c3=O)sc21 ZINC001589412183 954525131 /nfs/dbraw/zinc/52/51/31/954525131.db2.gz WQXVSPMGESBSFE-VHSXEESVSA-N -2 3 398.440 3.562 20 0 GHADHL CC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001595443884 981084499 /nfs/dbraw/zinc/08/44/99/981084499.db2.gz DOHJHIARHXEDGV-WDEREUQCSA-N -2 3 377.865 3.672 20 0 GHADHL CCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001595670692 982120230 /nfs/dbraw/zinc/12/02/30/982120230.db2.gz UCJBQQUENTUMDZ-SECBINFHSA-N -2 3 396.278 3.534 20 0 GHADHL CCc1ccc([O-])c(C(=O)N(C)[C@H](C(=O)[O-])c2ccc(Br)s2)c1 ZINC001597557157 988295147 /nfs/dbraw/zinc/29/51/47/988295147.db2.gz ZGROLEYIUFHOMF-AWEZNQCLSA-N -2 3 398.278 3.677 20 0 GHADHL CSc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC001599819693 988489594 /nfs/dbraw/zinc/48/95/94/988489594.db2.gz DJQLSYGWHRHQIM-AWEZNQCLSA-N -2 3 385.363 3.689 20 0 GHADHL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3Cl)c2O1 ZINC001593968716 997123415 /nfs/dbraw/zinc/12/34/15/997123415.db2.gz KCHSBSKPCFGYMX-UHFFFAOYSA-N -2 3 381.837 3.553 20 0 GHADHL COc1cc(Cl)c([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cc1C ZINC001599419803 997574924 /nfs/dbraw/zinc/57/49/24/997574924.db2.gz LYWZVPUSWFEJBZ-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL CC(C)Oc1ncccc1COc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121314 1032795778 /nfs/dbraw/zinc/79/57/78/1032795778.db2.gz BRTUPWRITLGMJQ-UHFFFAOYSA-N -2 3 395.411 3.796 20 0 GHADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@H]1COCc2ccccc21 ZINC001228123471 1032798058 /nfs/dbraw/zinc/79/80/58/1032798058.db2.gz TVDMUCVPSSZILW-NRFANRHFSA-N -2 3 378.380 3.685 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1C(=O)[O-] ZINC000564070746 1019005891 /nfs/dbraw/zinc/00/58/91/1019005891.db2.gz SGPOYFMGFXJIBC-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1nc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cc(C2CCCCC2)n1 ZINC001157160170 1033439448 /nfs/dbraw/zinc/43/94/48/1033439448.db2.gz MFEZJKUVKBBPGB-UHFFFAOYSA-N -2 3 387.420 3.917 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc(F)cc(F)c3[O-])cn2)cc1 ZINC001243505245 1036184390 /nfs/dbraw/zinc/18/43/90/1036184390.db2.gz YCQICMIBPVOQMX-UHFFFAOYSA-N -2 3 376.384 3.842 20 0 GHADHL Cc1cc(-c2ccc(S(=O)(=O)[N-]c3nccs3)cn2)cc(Cl)c1[O-] ZINC001244535814 1036536428 /nfs/dbraw/zinc/53/64/28/1036536428.db2.gz AYCAWNMFMPTERZ-UHFFFAOYSA-N -2 3 381.866 3.673 20 0 GHADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001257557269 1044041210 /nfs/dbraw/zinc/04/12/10/1044041210.db2.gz XUTZIEGRVMSXAN-UHFFFAOYSA-N -2 3 385.631 3.996 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2c(Cl)c(F)[n-]c(=O)c2Cl)cc1Cl ZINC001259130287 1044973422 /nfs/dbraw/zinc/97/34/22/1044973422.db2.gz ITNGGQKNAXLZMD-UHFFFAOYSA-N -2 3 385.631 3.996 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCCc3ccccc32)c(F)cc1Cl ZINC001259226478 1045021094 /nfs/dbraw/zinc/02/10/94/1045021094.db2.gz UUIHFOOKOATUAT-INIZCTEOSA-N -2 3 397.855 3.923 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(O)cc(C(F)(F)F)cc2Cl)cc1 ZINC001260228585 1045421027 /nfs/dbraw/zinc/42/10/27/1045421027.db2.gz NBAIKWGTZRAUPC-UHFFFAOYSA-N -2 3 395.742 3.563 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1cc(Br)c(F)cc1F ZINC001260330129 1045464458 /nfs/dbraw/zinc/46/44/58/1045464458.db2.gz FPKUFPZJPSDXDJ-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL Cc1sc([C@@H](C)NCc2cc(Br)cc(F)c2[O-])nc1C(=O)[O-] ZINC000900078933 1047958523 /nfs/dbraw/zinc/95/85/23/1047958523.db2.gz NCZTWGGCZAFGMY-ZCFIWIBFSA-N -2 3 389.246 3.608 20 0 GHADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc(-c2cccc(Cl)c2F)no1 ZINC001289106031 1049325179 /nfs/dbraw/zinc/32/51/79/1049325179.db2.gz DZYXLSWGMUFEBB-UHFFFAOYSA-N -2 3 375.669 3.523 20 0 GHADHL CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000735831008 599494362 /nfs/dbraw/zinc/49/43/62/599494362.db2.gz LRUIEEUTCLQRHI-UHFFFAOYSA-N -2 3 385.855 3.524 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CCCC2)o1 ZINC000740173411 599779848 /nfs/dbraw/zinc/77/98/48/599779848.db2.gz NKHPLBAMASKHTF-INIZCTEOSA-N -2 3 383.853 3.841 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)C(F)(F)F)cc2)cc1 ZINC000591796693 599885742 /nfs/dbraw/zinc/88/57/42/599885742.db2.gz KDGUIFMGJUACSP-UHFFFAOYSA-N -2 3 395.305 3.840 20 0 GHADHL O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])CC2 ZINC000739533678 600320191 /nfs/dbraw/zinc/32/01/91/600320191.db2.gz QFXPNYZIEAPJHA-IBGZPJMESA-N -2 3 379.456 3.504 20 0 GHADHL CCN(c1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1)C(C)C ZINC000829740656 601359744 /nfs/dbraw/zinc/35/97/44/601359744.db2.gz OQOPLJFEOPPBDI-AUWJEWJLSA-N -2 3 388.489 3.820 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)ccc1Cl ZINC000833305867 601829574 /nfs/dbraw/zinc/82/95/74/601829574.db2.gz KYIYNTLTMCCWQG-UHFFFAOYSA-N -2 3 398.843 3.578 20 0 GHADHL CCc1cc(=O)[n-]c(CSCc2csc(-c3cccc(C(=O)[O-])c3)n2)n1 ZINC000830224168 601957019 /nfs/dbraw/zinc/95/70/19/601957019.db2.gz HBQMEVKDLSVYIO-UHFFFAOYSA-N -2 3 387.486 4.000 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000547613718 602161843 /nfs/dbraw/zinc/16/18/43/602161843.db2.gz QNMNOISHGMIQAC-SJCJKPOMSA-N -2 3 391.420 3.621 20 0 GHADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000826450381 608205026 /nfs/dbraw/zinc/20/50/26/608205026.db2.gz JQTFLUOMVFTKFS-UHFFFAOYSA-N -2 3 390.639 3.846 20 0 GHADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000826450381 608205028 /nfs/dbraw/zinc/20/50/28/608205028.db2.gz JQTFLUOMVFTKFS-UHFFFAOYSA-N -2 3 390.639 3.846 20 0 GHADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cccc4ccccc43)cc2)n1 ZINC000176641638 837484394 /nfs/dbraw/zinc/48/43/94/837484394.db2.gz KHEDIARRMMXRGF-UHFFFAOYSA-N -2 3 391.452 3.699 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c1Cl ZINC000547932300 837665286 /nfs/dbraw/zinc/66/52/86/837665286.db2.gz ABNCFTJKGPHKRJ-UHFFFAOYSA-N -2 3 382.309 3.861 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1C ZINC000579743080 834516572 /nfs/dbraw/zinc/51/65/72/834516572.db2.gz UNMVIWBDIWVQTI-CYBMUJFWSA-N -2 3 395.502 3.760 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c(F)c1 ZINC000547868977 837312600 /nfs/dbraw/zinc/31/26/00/837312600.db2.gz CZDMBCCOMHXJIR-UHFFFAOYSA-N -2 3 378.208 3.773 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1Cl ZINC000432685169 843479403 /nfs/dbraw/zinc/47/94/03/843479403.db2.gz DOCIDJKFTGQPJI-UHFFFAOYSA-N -2 3 397.880 3.820 20 0 GHADHL COc1ccccc1-c1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000504721102 850271107 /nfs/dbraw/zinc/27/11/07/850271107.db2.gz ODWCHOKBONLYNS-XFXZXTDPSA-N -2 3 376.412 3.964 20 0 GHADHL O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1nn(-c2ccccc2F)cc1[O-] ZINC000436721251 852247386 /nfs/dbraw/zinc/24/73/86/852247386.db2.gz IFSTUESZKAGEKF-UHFFFAOYSA-N -2 3 381.285 3.694 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000589938501 855192504 /nfs/dbraw/zinc/19/25/04/855192504.db2.gz ZQAPGTFBCMBVGE-UHFFFAOYSA-N -2 3 389.351 3.603 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3F)c2)n1 ZINC000591679659 856213993 /nfs/dbraw/zinc/21/39/93/856213993.db2.gz VCYBXZBXMAHXGV-UHFFFAOYSA-N -2 3 387.436 3.660 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000327680783 860557302 /nfs/dbraw/zinc/55/73/02/860557302.db2.gz CZOKRWDJFLLBSL-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)ccc1Br ZINC000058518985 881620243 /nfs/dbraw/zinc/62/02/43/881620243.db2.gz HISRCTGAKRJAAW-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c2ccccc12 ZINC000607030829 864027639 /nfs/dbraw/zinc/02/76/39/864027639.db2.gz GCGSYJXIZSXASD-UHFFFAOYSA-N -2 3 393.367 3.626 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c(C)c1 ZINC000523587046 867587219 /nfs/dbraw/zinc/58/72/19/867587219.db2.gz JYROUVQCRYZJNY-UHFFFAOYSA-N -2 3 377.462 3.656 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1OC(C)C ZINC000546885665 869399821 /nfs/dbraw/zinc/39/98/21/869399821.db2.gz JJLHTCCLLOMCJI-UHFFFAOYSA-N -2 3 393.461 3.598 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c2ccccc12 ZINC000427329141 882323735 /nfs/dbraw/zinc/32/37/35/882323735.db2.gz GADKIPIRIRRQGC-UHFFFAOYSA-N -2 3 389.404 3.877 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(Cl)c1Cl ZINC000427331833 882323861 /nfs/dbraw/zinc/32/38/61/882323861.db2.gz QYNHDLYJIHMMQT-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193255319 870978046 /nfs/dbraw/zinc/97/80/46/870978046.db2.gz USIRUEZKSCPMGK-GASCZTMLSA-N -2 3 388.489 3.596 20 0 GHADHL COc1cc(C)cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1C ZINC000447261720 871280763 /nfs/dbraw/zinc/28/07/63/871280763.db2.gz AJYFUQCZAHJOQB-UHFFFAOYSA-N -2 3 391.489 3.665 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(COc3ccccc3)cc2)cc1 ZINC000539117717 871341555 /nfs/dbraw/zinc/34/15/55/871341555.db2.gz OLGQIVTUKQPFGP-UHFFFAOYSA-N -2 3 383.425 3.765 20 0 GHADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1)C(=O)[O-] ZINC000463780884 872586381 /nfs/dbraw/zinc/58/63/81/872586381.db2.gz ZHTSZXORBPJNIT-INIZCTEOSA-N -2 3 391.489 3.766 20 0 GHADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1)C(=O)[O-] ZINC000463800398 872653643 /nfs/dbraw/zinc/65/36/43/872653643.db2.gz QBQHONGCDSKINN-INIZCTEOSA-N -2 3 391.489 3.928 20 0 GHADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc([O-])c(F)c(F)c1 ZINC001196551698 873205531 /nfs/dbraw/zinc/20/55/31/873205531.db2.gz UUOUSBBIRZKBEV-UHFFFAOYSA-N -2 3 378.194 3.542 20 0 GHADHL CSCc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000542008240 874757576 /nfs/dbraw/zinc/75/75/76/874757576.db2.gz GQQMWHCXNPMQFF-UHFFFAOYSA-N -2 3 393.530 3.903 20 0 GHADHL CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000475810209 884111010 /nfs/dbraw/zinc/11/10/10/884111010.db2.gz ADVWLFQBVQXRMS-UHFFFAOYSA-N -2 3 385.800 3.571 20 0 GHADHL CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000761837959 884753526 /nfs/dbraw/zinc/75/35/26/884753526.db2.gz YXKPACNHLUUSMD-HNNXBMFYSA-N -2 3 399.340 3.788 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1c(Cl)cc(F)cc1Br ZINC000131420513 886056139 /nfs/dbraw/zinc/05/61/39/886056139.db2.gz UEFLFVLRBDYPMV-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL CCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc21 ZINC001184698858 913365698 /nfs/dbraw/zinc/36/56/98/913365698.db2.gz INMSLHZAMVIKAV-UHFFFAOYSA-N -2 3 388.489 3.657 20 0 GHADHL Cc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(C)c1OCc1ccccn1 ZINC000670369954 891807862 /nfs/dbraw/zinc/80/78/62/891807862.db2.gz MSMZTSLHTJFUCL-VOTSOKGWSA-N -2 3 377.400 3.642 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3CCC(C(=O)[O-])CC3)c2)n1 ZINC000563200977 893473021 /nfs/dbraw/zinc/47/30/21/893473021.db2.gz RZHNUJUZHPUQFN-UHFFFAOYSA-N -2 3 383.448 3.631 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3[nH]2)c1 ZINC000537197915 894527961 /nfs/dbraw/zinc/52/79/61/894527961.db2.gz LSSHCOJCNCAQKT-UHFFFAOYSA-N -2 3 395.440 3.745 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(Cl)ccc3cccnc32)ccc1F ZINC001186188127 914350569 /nfs/dbraw/zinc/35/05/69/914350569.db2.gz HCPLASDWPQPHHO-UHFFFAOYSA-N -2 3 380.784 3.526 20 0 GHADHL Cc1cc([O-])ccc1C(=O)Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001186191060 914351495 /nfs/dbraw/zinc/35/14/95/914351495.db2.gz GGONRLVDPQLSBM-UHFFFAOYSA-N -2 3 389.407 3.811 20 0 GHADHL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C ZINC000268135503 909776796 /nfs/dbraw/zinc/77/67/96/909776796.db2.gz POZQQIMBPRUBHA-UHFFFAOYSA-N -2 3 390.461 3.541 20 0 GHADHL CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000642113828 911766377 /nfs/dbraw/zinc/76/63/77/911766377.db2.gz LJHBVCFYPSUAMB-UHFFFAOYSA-N -2 3 383.853 3.874 20 0 GHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2F)cc1 ZINC001192140708 918474491 /nfs/dbraw/zinc/47/44/91/918474491.db2.gz DSSFSEHEINWYNX-UHFFFAOYSA-N -2 3 392.235 3.951 20 0 GHADHL CCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(OCCC)c1 ZINC000470264806 930497658 /nfs/dbraw/zinc/49/76/58/930497658.db2.gz BJKUZGAHRZCEDL-VQHVLOKHSA-N -2 3 386.448 3.866 20 0 GHADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000547599754 931140662 /nfs/dbraw/zinc/14/06/62/931140662.db2.gz ISGWYZBOWIFMFA-ZDUSSCGKSA-N -2 3 392.235 3.627 20 0 GHADHL Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3cc(Br)ccc32)c([O-])c1 ZINC001594344696 958318314 /nfs/dbraw/zinc/31/83/14/958318314.db2.gz JSNLSMUVSMMIRH-LBPRGKRZSA-N -2 3 390.233 3.682 20 0 GHADHL Cc1cccc(C(=O)N2CC[C@H](C(=O)[O-])c3cc(Br)ccc32)c1[O-] ZINC001594386985 958686846 /nfs/dbraw/zinc/68/68/46/958686846.db2.gz YIYSRTZOHXTBCH-LBPRGKRZSA-N -2 3 390.233 3.682 20 0 GHADHL CC(C)c1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001592839506 979597932 /nfs/dbraw/zinc/59/79/32/979597932.db2.gz WJDLAGBBJUTLDG-LBPRGKRZSA-N -2 3 397.443 3.696 20 0 GHADHL CCCCOc1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)c([O-])c1 ZINC001595776907 982545818 /nfs/dbraw/zinc/54/58/18/982545818.db2.gz MMSPAWXHHXLWIG-AWEZNQCLSA-N -2 3 387.432 3.526 20 0 GHADHL CC[C@H](C)c1ccc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C(C)C)cc1 ZINC001595010628 982942707 /nfs/dbraw/zinc/94/27/07/982942707.db2.gz VLMOQHLYSGHVJU-SJCJKPOMSA-N -2 3 380.466 3.562 20 0 GHADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)[C@@H](C)c1ccccc1 ZINC001593326331 994876414 /nfs/dbraw/zinc/87/64/14/994876414.db2.gz KDFKTHLIKYWXBO-GHMZBOCLSA-N -2 3 385.844 3.648 20 0 GHADHL C[C@@]1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCCC[C@H]1C(=O)[O-] ZINC001594056120 997794875 /nfs/dbraw/zinc/79/48/75/997794875.db2.gz MWMAXGALEQHWAT-WMZHIEFXSA-N -2 3 381.472 3.941 20 0 GHADHL COc1cc(OC)cc([C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C(=O)[O-])c1 ZINC001599452815 998134710 /nfs/dbraw/zinc/13/47/10/998134710.db2.gz LSKOEXIVVXDQEB-CQSZACIVSA-N -2 3 395.820 3.883 20 0 GHADHL COc1c(F)cc(F)cc1-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215470734 1029224377 /nfs/dbraw/zinc/22/43/77/1029224377.db2.gz BFWIDKUHTCCJJC-UHFFFAOYSA-N -2 3 399.147 3.864 20 0 GHADHL CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(C(=O)[O-])c(C)c1Cl)OCC ZINC001215690331 1029350167 /nfs/dbraw/zinc/35/01/67/1029350167.db2.gz GHBVSUMBLSOZJL-UHFFFAOYSA-N -2 3 395.843 3.527 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc(F)c([O-])c(F)c3)cn2)cc1 ZINC001244096009 1036380511 /nfs/dbraw/zinc/38/05/11/1036380511.db2.gz HFOVKIZNDOHBTQ-UHFFFAOYSA-N -2 3 376.384 3.842 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c(Cl)c1O ZINC001259220212 1045016368 /nfs/dbraw/zinc/01/63/68/1045016368.db2.gz ZRQZPHPYROQYEI-UHFFFAOYSA-N -2 3 394.207 3.646 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1Br)c1cc(Cl)ccc1F ZINC001259459156 1045173747 /nfs/dbraw/zinc/17/37/47/1045173747.db2.gz IIUAFBDWMLBMPL-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL O=c1[n-]c(F)c(Cl)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1Cl ZINC001260005187 1045351514 /nfs/dbraw/zinc/35/15/14/1045351514.db2.gz VTMPJWPZILOEHH-UHFFFAOYSA-N -2 3 388.207 3.582 20 0 GHADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2)ccn1 ZINC001260190584 1045406084 /nfs/dbraw/zinc/40/60/84/1045406084.db2.gz UYGPDNDLFOTKGQ-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL Cc1cc(C(C)(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260400390 1045487786 /nfs/dbraw/zinc/48/77/86/1045487786.db2.gz YZTNDXVBEOSAFL-UHFFFAOYSA-N -2 3 377.462 3.806 20 0 GHADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001260457314 1045500419 /nfs/dbraw/zinc/50/04/19/1045500419.db2.gz GPDKNNNACWNDET-UHFFFAOYSA-N -2 3 399.291 3.874 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2nc3c(cccc3[O-])s2)ccc1Br ZINC001261043426 1045860763 /nfs/dbraw/zinc/86/07/63/1045860763.db2.gz UAEUUZYAAIMWIY-UHFFFAOYSA-N -2 3 399.291 3.874 20 0 GHADHL O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1nc[n-]c(=O)c1Br ZINC001301159431 1046379014 /nfs/dbraw/zinc/37/90/14/1046379014.db2.gz SDKBQCMLKAOOPW-UHFFFAOYSA-N -2 3 394.612 3.709 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1cccc2c1CCCC2 ZINC001321683835 1056360146 /nfs/dbraw/zinc/36/01/46/1056360146.db2.gz BBPZYJKQDDAAIS-UHFFFAOYSA-N -2 3 382.279 3.834 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-n2cccc2)ccc1F ZINC001322368101 1056654965 /nfs/dbraw/zinc/65/49/65/1056654965.db2.gz YINBTXUPMWCPBK-UHFFFAOYSA-N -2 3 388.420 3.678 20 0 GHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)cc1 ZINC001338902956 1058867822 /nfs/dbraw/zinc/86/78/22/1058867822.db2.gz ADOKTRDXRIOSPX-UHFFFAOYSA-N -2 3 386.267 3.743 20 0 GHADHL C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC000735977648 598355913 /nfs/dbraw/zinc/35/59/13/598355913.db2.gz PXPXBKUDTZQDTF-SFHVURJKSA-N -2 3 391.859 3.520 20 0 GHADHL C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC000735977648 598355915 /nfs/dbraw/zinc/35/59/15/598355915.db2.gz PXPXBKUDTZQDTF-SFHVURJKSA-N -2 3 391.859 3.520 20 0 GHADHL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000740121414 600058017 /nfs/dbraw/zinc/05/80/17/600058017.db2.gz RGZKCZPUTAVELF-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL CCc1cc2c(CNc3ccc(OCCCC(=O)[O-])cc3)cc(=O)oc2cc1[O-] ZINC000737252948 600503094 /nfs/dbraw/zinc/50/30/94/600503094.db2.gz YNNOCYJGXSRDCU-UHFFFAOYSA-N -2 3 397.427 3.917 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)ccc1C(=O)[O-] ZINC000506664174 600894401 /nfs/dbraw/zinc/89/44/01/600894401.db2.gz ZBKDXXFVGFTIPQ-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1C ZINC000564431380 600899348 /nfs/dbraw/zinc/89/93/48/600899348.db2.gz FOXOLLRFNGTIGL-UHFFFAOYSA-N -2 3 377.462 3.557 20 0 GHADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000484973175 600899917 /nfs/dbraw/zinc/89/99/17/600899917.db2.gz JYSTYNPIBCMKNR-UHFFFAOYSA-N -2 3 391.489 3.884 20 0 GHADHL CN(C)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1Cl ZINC000830639680 600981169 /nfs/dbraw/zinc/98/11/69/600981169.db2.gz MFWJRKUAWZNGMD-UHFFFAOYSA-N -2 3 389.260 3.558 20 0 GHADHL Cc1oc(S(=O)(=O)[N-]Nc2c(Cl)cc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000833027492 601231507 /nfs/dbraw/zinc/23/15/07/601231507.db2.gz UXQYCBLBLDYHPK-UHFFFAOYSA-N -2 3 399.639 3.552 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000057748575 601355251 /nfs/dbraw/zinc/35/52/51/601355251.db2.gz PEQMCKSVRBUURY-UHFFFAOYSA-N -2 3 393.424 3.525 20 0 GHADHL Cc1nc(C2CCCCC2)sc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000833755259 605152107 /nfs/dbraw/zinc/15/21/07/605152107.db2.gz GRRPFHUDQFMSCS-UHFFFAOYSA-N -2 3 380.495 3.620 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(C)c1C ZINC000580795975 840197963 /nfs/dbraw/zinc/19/79/63/840197963.db2.gz OWONPHQHRVLKKD-UHFFFAOYSA-N -2 3 377.462 3.736 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1C(C)C ZINC000432725928 843598595 /nfs/dbraw/zinc/59/85/95/843598595.db2.gz BWDNGRSFULPSHC-UHFFFAOYSA-N -2 3 377.462 3.934 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1Cl ZINC000512734830 845247335 /nfs/dbraw/zinc/24/73/35/845247335.db2.gz UQYWGOZCOCWJCX-UHFFFAOYSA-N -2 3 383.853 3.855 20 0 GHADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3Cl)cc2)n1 ZINC000179981629 861883653 /nfs/dbraw/zinc/88/36/53/861883653.db2.gz ROODKNOXLWZEHS-UHFFFAOYSA-N -2 3 389.864 3.508 20 0 GHADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1C ZINC000504508932 850106280 /nfs/dbraw/zinc/10/62/80/850106280.db2.gz ZELGKFOVPOVSOU-UHFFFAOYSA-N -2 3 377.462 3.575 20 0 GHADHL O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)CCCc1ccc([O-])c(F)c1)CC3 ZINC000909133427 850588492 /nfs/dbraw/zinc/58/84/92/850588492.db2.gz FQNAQODNFJOHBI-UHFFFAOYSA-N -2 3 396.418 3.618 20 0 GHADHL Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000436169718 851286869 /nfs/dbraw/zinc/28/68/69/851286869.db2.gz LNQXYOPPXQHYIA-UHFFFAOYSA-N -2 3 386.473 3.829 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)cc1CC(=O)[O-] ZINC000574188548 857269124 /nfs/dbraw/zinc/26/91/24/857269124.db2.gz GMBFPSMNWNWJBZ-UHFFFAOYSA-N -2 3 397.452 3.790 20 0 GHADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1Br ZINC000486130305 857460325 /nfs/dbraw/zinc/46/03/25/857460325.db2.gz SOGIJRZMZRZWOR-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1nc(C=Cc2ccccc2OCc2ccccn2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443456117 858707184 /nfs/dbraw/zinc/70/71/84/858707184.db2.gz RFXHZDKZEQDSTD-LUAWRHEFSA-N -2 3 391.427 3.652 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCC1)O2 ZINC000466349069 859191765 /nfs/dbraw/zinc/19/17/65/859191765.db2.gz YWARRQAYVAZMQR-UHFFFAOYSA-N -2 3 389.429 3.536 20 0 GHADHL C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000673488908 859556511 /nfs/dbraw/zinc/55/65/11/859556511.db2.gz YGCVYZKRQHMYOB-IHWYPQMZSA-N -2 3 381.837 3.637 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c(F)c1 ZINC000484556491 860115641 /nfs/dbraw/zinc/11/56/41/860115641.db2.gz SOFIIHGHUPQAOQ-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1C(=O)[O-] ZINC000540294213 870962046 /nfs/dbraw/zinc/96/20/46/870962046.db2.gz VPDWPLGVGPNJQG-UHFFFAOYSA-N -2 3 381.475 3.615 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1C(=O)[O-] ZINC000540459060 871311337 /nfs/dbraw/zinc/31/13/37/871311337.db2.gz VLSMYYGGPXWPNW-UHFFFAOYSA-N -2 3 386.429 3.579 20 0 GHADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000541304215 873322842 /nfs/dbraw/zinc/32/28/42/873322842.db2.gz UWQZVRMPWSIERW-LBPRGKRZSA-N -2 3 399.415 3.710 20 0 GHADHL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768888336 873648569 /nfs/dbraw/zinc/64/85/69/873648569.db2.gz MSTLJWFDOKKTAP-KTKRTIGZSA-N -2 3 395.864 3.778 20 0 GHADHL CC(C)Oc1ccc(-c2ccccc2C(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001197978328 874167513 /nfs/dbraw/zinc/16/75/13/874167513.db2.gz OQQJSDFBJITYBW-UHFFFAOYSA-N -2 3 391.404 3.829 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1cc(Br)cnc1Cl ZINC001198537392 874468621 /nfs/dbraw/zinc/46/86/21/874468621.db2.gz RSYIJOWUVHTNIF-UHFFFAOYSA-N -2 3 398.065 3.657 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000551910633 878008841 /nfs/dbraw/zinc/00/88/41/878008841.db2.gz CKMPVRSZVRPKQJ-CYBMUJFWSA-N -2 3 395.502 3.678 20 0 GHADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000551998028 878133073 /nfs/dbraw/zinc/13/30/73/878133073.db2.gz LRZOWEUULVUYGG-JSGCOSHPSA-N -2 3 399.818 3.671 20 0 GHADHL CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)ccc2s1 ZINC000475792626 883876182 /nfs/dbraw/zinc/87/61/82/883876182.db2.gz RBRPVUZWXMUGJO-UHFFFAOYSA-N -2 3 395.433 3.724 20 0 GHADHL C[C@H](NC(=O)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21)c1ccccc1 ZINC001202506210 886198037 /nfs/dbraw/zinc/19/80/37/886198037.db2.gz PSNUAUAKQOBLJD-LBPRGKRZSA-N -2 3 386.429 3.675 20 0 GHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000763282462 888438684 /nfs/dbraw/zinc/43/86/84/888438684.db2.gz ZCHMRNSCKLPWHU-UHFFFAOYSA-N -2 3 381.425 3.729 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cnc2Cl)cc1C(=O)[O-] ZINC001184660241 913349043 /nfs/dbraw/zinc/34/90/43/913349043.db2.gz XSOASXWQDVVNEM-UHFFFAOYSA-N -2 3 394.758 3.561 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C(F)(F)F ZINC001184692083 913359795 /nfs/dbraw/zinc/35/97/95/913359795.db2.gz OREXSKMKVPXVMV-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1C(F)(F)F ZINC000533166436 889929752 /nfs/dbraw/zinc/92/97/52/889929752.db2.gz IIRWXJUWCGVLMS-UHFFFAOYSA-N -2 3 399.268 3.622 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccccc3)cc2)cc1C(=O)[O-] ZINC001185304197 913794881 /nfs/dbraw/zinc/79/48/81/913794881.db2.gz VOZNPHZMGDGLJO-UHFFFAOYSA-N -2 3 397.452 3.785 20 0 GHADHL Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)[N-]N=c1cnc2ccccc2[n-]1 ZINC000163487235 893692405 /nfs/dbraw/zinc/69/24/05/893692405.db2.gz KDOVULUEHRZXMH-UHFFFAOYSA-N -2 3 392.850 3.593 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(O)cc3)c2)cc1C(=O)[O-] ZINC001185313790 913801513 /nfs/dbraw/zinc/80/15/13/913801513.db2.gz FYURAEVHBBPGCH-UHFFFAOYSA-N -2 3 399.424 3.567 20 0 GHADHL CC[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-])c1nc(C)cs1 ZINC000645964528 914155112 /nfs/dbraw/zinc/15/51/12/914155112.db2.gz DXNZXPMBCZDNKK-NSHDSACASA-N -2 3 396.515 3.794 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(Cl)ccc2cccnc21 ZINC001185909361 914168920 /nfs/dbraw/zinc/16/89/20/914168920.db2.gz SRRWWOCVQBNWRX-UHFFFAOYSA-N -2 3 376.821 3.696 20 0 GHADHL CC(C)(C)COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001186193849 914352994 /nfs/dbraw/zinc/35/29/94/914352994.db2.gz YWTALZUNYOEONI-UHFFFAOYSA-N -2 3 381.425 3.750 20 0 GHADHL C[C@H](NC(=O)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21)C1CCCCC1 ZINC001186395188 914499170 /nfs/dbraw/zinc/49/91/70/914499170.db2.gz SXNFTAADQCAYKA-LBPRGKRZSA-N -2 3 392.477 3.882 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c(Cl)c1[O-] ZINC001187136840 915048977 /nfs/dbraw/zinc/04/89/77/915048977.db2.gz TXURGAATTNWVRP-UHFFFAOYSA-N -2 3 378.262 3.517 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(Cl)cc1C ZINC001187589900 915352096 /nfs/dbraw/zinc/35/20/96/915352096.db2.gz RXRGBDIMWTYERO-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000681561423 925851347 /nfs/dbraw/zinc/85/13/47/925851347.db2.gz HESCAZYJCPSGSK-UHFFFAOYSA-N -2 3 375.780 3.567 20 0 GHADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000753769319 929527471 /nfs/dbraw/zinc/52/74/71/929527471.db2.gz IKZPYXSDCQJKQG-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL Cc1nc(C=Cc2ccccc2OCc2ccccc2)[n-]c(=O)c1CC(=O)[O-] ZINC000470236978 930476393 /nfs/dbraw/zinc/47/63/93/930476393.db2.gz MOPBPOAMTTZZCH-VAWYXSNFSA-N -2 3 376.412 3.867 20 0 GHADHL CCCOc1c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cccc1OCC ZINC000470239493 930477662 /nfs/dbraw/zinc/47/76/62/930477662.db2.gz VWFMYOIQBOCPMN-LUAWRHEFSA-N -2 3 386.448 3.866 20 0 GHADHL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1)C(=O)[O-] ZINC000829962797 935885879 /nfs/dbraw/zinc/88/58/79/935885879.db2.gz SUYVHOLSKZLSQN-GFCCVEGCSA-N -2 3 393.486 3.594 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(F)cc2)c1Cl ZINC001594362990 958470500 /nfs/dbraw/zinc/47/05/00/958470500.db2.gz DVIPNBARTIZEAK-CYBMUJFWSA-N -2 3 392.235 3.545 20 0 GHADHL CC(C)c1ccc(CC[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)cc1 ZINC001591953861 976520503 /nfs/dbraw/zinc/52/05/03/976520503.db2.gz FIKJKCQNRCCIDD-UHFFFAOYSA-N -2 3 399.871 3.822 20 0 GHADHL CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-])c1nccs1 ZINC001595310463 980468125 /nfs/dbraw/zinc/46/81/25/980468125.db2.gz JXVHBSFFZBJCDG-SNVBAGLBSA-N -2 3 395.289 3.578 20 0 GHADHL CCCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC001595687351 982179753 /nfs/dbraw/zinc/17/97/53/982179753.db2.gz PSLJLBVHPQNBJP-NSHDSACASA-N -2 3 387.807 3.671 20 0 GHADHL CCCCOc1ccc(C(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC001595776904 982545134 /nfs/dbraw/zinc/54/51/34/982545134.db2.gz MLQVPUQRYBXBQW-QFIPXVFZSA-N -2 3 385.460 3.734 20 0 GHADHL CC[C@@H](C)c1ccc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C(C)C)cc1 ZINC001595010627 982942485 /nfs/dbraw/zinc/94/24/85/982942485.db2.gz VLMOQHLYSGHVJU-PXAZEXFGSA-N -2 3 380.466 3.562 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC001599598565 993782085 /nfs/dbraw/zinc/78/20/85/993782085.db2.gz AAYFYJYFLINFHS-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])[n-]1 ZINC001598958532 998289214 /nfs/dbraw/zinc/28/92/14/998289214.db2.gz HSCAVAHQGQCWFX-UHFFFAOYSA-N -2 3 380.356 3.544 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@H]2CCOC[C@H]2C)cc1 ZINC001229672739 1033632039 /nfs/dbraw/zinc/63/20/39/1033632039.db2.gz WAWZEHAFQXAXSQ-PXAZEXFGSA-N -2 3 398.411 3.684 20 0 GHADHL O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ncsc1C(F)(F)F ZINC001161203822 1035179108 /nfs/dbraw/zinc/17/91/08/1035179108.db2.gz UTRUCMOBDRVRLA-UHFFFAOYSA-N -2 3 389.746 3.558 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3c(F)cc([O-])cc3F)cn2)cc1 ZINC001241118774 1035515910 /nfs/dbraw/zinc/51/59/10/1035515910.db2.gz GGDPJEWBILLOTJ-UHFFFAOYSA-N -2 3 376.384 3.842 20 0 GHADHL O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(-c2cccc(F)c2[O-])nc1 ZINC001242350718 1035893099 /nfs/dbraw/zinc/89/30/99/1035893099.db2.gz SVLCUOSKVYJVFS-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1cccc(C(F)(F)F)c1 ZINC001255671369 1041204365 /nfs/dbraw/zinc/20/43/65/1041204365.db2.gz XLWYZKOJLXTGJK-UHFFFAOYSA-N -2 3 396.184 3.974 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc(C3CC3)c2)c(F)cc1Cl ZINC001259224516 1045019736 /nfs/dbraw/zinc/01/97/36/1045019736.db2.gz KLWCQCIDEIBYBM-UHFFFAOYSA-N -2 3 383.828 3.533 20 0 GHADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)CC1CCC1 ZINC001259225230 1045020186 /nfs/dbraw/zinc/02/01/86/1045020186.db2.gz HAVRRXKKFPOIMM-UHFFFAOYSA-N -2 3 377.865 3.672 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3cccs3)cc2)ccc1O ZINC001260398379 1045487203 /nfs/dbraw/zinc/48/72/03/1045487203.db2.gz DRNLGZOORNMQHU-UHFFFAOYSA-N -2 3 375.427 3.620 20 0 GHADHL O=S(=O)(Cc1ccccc1Cl)[N-]c1cc(Br)ccc1[O-] ZINC001260695403 1045612854 /nfs/dbraw/zinc/61/28/54/1045612854.db2.gz UUMCQWCJVHGGIA-UHFFFAOYSA-N -2 3 376.659 3.750 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccc(F)c(C(F)(F)F)c1 ZINC001261013594 1045835660 /nfs/dbraw/zinc/83/56/60/1045835660.db2.gz KBBZXHLVLMAPMB-UHFFFAOYSA-N -2 3 392.355 3.961 20 0 GHADHL COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)c2=O ZINC001306818865 1048913649 /nfs/dbraw/zinc/91/36/49/1048913649.db2.gz HGROBADEIVIMIF-UHFFFAOYSA-N -2 3 379.199 3.801 20 0 GHADHL CC/C=C/CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001450232728 1060557787 /nfs/dbraw/zinc/55/77/87/1060557787.db2.gz CTCCTXNWYOXVBH-ONEGZZNKSA-N -2 3 394.880 3.542 20 0 GHADHL O=C(Nc1cc([O-])c(F)cc1F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001468748292 1067859396 /nfs/dbraw/zinc/85/93/96/1067859396.db2.gz WEOHMZWNGPKYJQ-UHFFFAOYSA-N -2 3 395.159 3.527 20 0 GHADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000481966186 600625509 /nfs/dbraw/zinc/62/55/09/600625509.db2.gz GMLGMJGJVVNWMW-UHFFFAOYSA-N -2 3 383.425 3.907 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC000481983438 600628558 /nfs/dbraw/zinc/62/85/58/600628558.db2.gz SXESWGXKDWJSNR-UHFFFAOYSA-N -2 3 377.462 3.602 20 0 GHADHL O=C([O-])C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc21 ZINC000739654012 600960817 /nfs/dbraw/zinc/96/08/17/600960817.db2.gz QDQLIOLPVIFFEB-LBPRGKRZSA-N -2 3 375.384 3.660 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1 ZINC000460828351 601050755 /nfs/dbraw/zinc/05/07/55/601050755.db2.gz KFLOVIMZRROBQK-UHFFFAOYSA-N -2 3 379.409 3.646 20 0 GHADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)c1F ZINC000833295542 601235449 /nfs/dbraw/zinc/23/54/49/601235449.db2.gz VJJYMELDTMLURG-KRWDZBQOSA-N -2 3 399.390 3.622 20 0 GHADHL CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1F ZINC000826936056 601360097 /nfs/dbraw/zinc/36/00/97/601360097.db2.gz ZQJWCJBKTMTIKS-WDZFZDKYSA-N -2 3 392.452 3.569 20 0 GHADHL CCCCc1nc2cc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])ccc2[nH]1 ZINC000829440467 601485845 /nfs/dbraw/zinc/48/58/45/601485845.db2.gz MDUGUYJPOSNJHM-UHFFFAOYSA-N -2 3 387.461 3.713 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1Cl ZINC000833304116 601844129 /nfs/dbraw/zinc/84/41/29/601844129.db2.gz REGRWNIKAXWHMW-UHFFFAOYSA-N -2 3 398.843 3.578 20 0 GHADHL O=C([O-])Nc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c(Cl)c1 ZINC000832839149 603916394 /nfs/dbraw/zinc/91/63/94/603916394.db2.gz SEFCNYJKTSKNAR-UHFFFAOYSA-N -2 3 393.737 3.746 20 0 GHADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826450355 608204923 /nfs/dbraw/zinc/20/49/23/608204923.db2.gz IGOZGIMUQUGOKC-UHFFFAOYSA-N -2 3 390.639 3.846 20 0 GHADHL O=S(=O)([N-]c1cccc2ccsc21)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493123 609531426 /nfs/dbraw/zinc/53/14/26/609531426.db2.gz UVVIERKXFSAFIH-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL O=S(=O)([N-]c1cccc2ccsc21)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493123 609531427 /nfs/dbraw/zinc/53/14/27/609531427.db2.gz UVVIERKXFSAFIH-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL CC(C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000584442421 834624121 /nfs/dbraw/zinc/62/41/21/834624121.db2.gz MIPAPYXPWHEHKV-MFDVASPDSA-N -2 3 376.359 3.836 20 0 GHADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCc3c2ccc(Cl)c3Cl)oc1C(=O)[O-] ZINC000663423562 843553230 /nfs/dbraw/zinc/55/32/30/843553230.db2.gz WCPLDZRAHDFMBV-NSHDSACASA-N -2 3 390.244 3.559 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(C)c1C(=O)[O-] ZINC000512757299 845371720 /nfs/dbraw/zinc/37/17/20/845371720.db2.gz HYLUZNCBAXISIJ-UHFFFAOYSA-N -2 3 389.351 3.701 20 0 GHADHL O=C([O-])c1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc(Cl)c1Cl ZINC000548569492 845590534 /nfs/dbraw/zinc/59/05/34/845590534.db2.gz AYVTWXVNCNTUSP-UHFFFAOYSA-N -2 3 396.198 3.912 20 0 GHADHL Cc1nc(C=Cc2ccc(Br)cc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000504733062 850263473 /nfs/dbraw/zinc/26/34/73/850263473.db2.gz SUECLAHJYBSGOJ-HWKANZROSA-N -2 3 383.629 3.704 20 0 GHADHL COc1ccc(-c2ccccc2)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504722810 850271861 /nfs/dbraw/zinc/27/18/61/850271861.db2.gz XELXDWPXTWIXBV-LUAWRHEFSA-N -2 3 376.412 3.964 20 0 GHADHL COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(F)c([O-])c(Cl)c2)[nH][n-]1 ZINC000436961126 852550781 /nfs/dbraw/zinc/55/07/81/852550781.db2.gz FXTFVUHHYDMBGZ-UHFFFAOYSA-N -2 3 396.205 3.911 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc(C(=O)[O-])c1C ZINC000442237495 857641120 /nfs/dbraw/zinc/64/11/20/857641120.db2.gz XGAXEOWUWUCHAK-UHFFFAOYSA-N -2 3 375.780 3.734 20 0 GHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1 ZINC000065079854 857769742 /nfs/dbraw/zinc/76/97/42/857769742.db2.gz BLZVDXDFILREHQ-UHFFFAOYSA-N -2 3 398.440 3.692 20 0 GHADHL O=C(Nc1c([O-])cccc1F)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000605436524 863050629 /nfs/dbraw/zinc/05/06/29/863050629.db2.gz KKQGWKQYOJAGOJ-UHFFFAOYSA-N -2 3 384.338 3.881 20 0 GHADHL O=C(CCCCCC(=O)Nc1ccc(F)cc1[O-])Nc1ccc(F)cc1[O-] ZINC000532266685 881633230 /nfs/dbraw/zinc/63/32/30/881633230.db2.gz RLBFMSRIRAMVOH-UHFFFAOYSA-N -2 3 378.375 3.904 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)cc1C(=O)[O-] ZINC000606828321 863861436 /nfs/dbraw/zinc/86/14/36/863861436.db2.gz NGGQQJFIHPKYSM-UHFFFAOYSA-N -2 3 389.473 3.953 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)c(C)c1 ZINC000447261647 871277543 /nfs/dbraw/zinc/27/75/43/871277543.db2.gz ADOBBJGDKMQAOM-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL C[Si](C)(C)CCS(=O)(=O)[N-]c1c(Cl)ccc(Br)c1[O-] ZINC001195079935 872159445 /nfs/dbraw/zinc/15/94/45/872159445.db2.gz AEINNYKQGKVNHA-UHFFFAOYSA-N -2 3 386.771 3.888 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](CC)C(=O)[O-])cc2)cc1 ZINC000463779237 872584687 /nfs/dbraw/zinc/58/46/87/872584687.db2.gz RBXKOHMMVUOXSE-OAHLLOKOSA-N -2 3 377.462 3.539 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c(C)c1 ZINC000767733671 872809018 /nfs/dbraw/zinc/80/90/18/872809018.db2.gz VKCOEWYIRACORI-UHFFFAOYSA-N -2 3 387.816 3.685 20 0 GHADHL Cc1cc([O-])c([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1Br ZINC001197602971 873936799 /nfs/dbraw/zinc/93/67/99/873936799.db2.gz JQAQBROLDODKHL-UHFFFAOYSA-N -2 3 392.221 3.683 20 0 GHADHL O=C(Nc1nc[n-]c(=O)c1Br)c1cccc(-c2ccccc2)c1[O-] ZINC001148866865 904234170 /nfs/dbraw/zinc/23/41/70/904234170.db2.gz IAIZSYMJJQBUPL-UHFFFAOYSA-N -2 3 386.205 3.570 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c(Cl)cc1F ZINC000795366605 910071063 /nfs/dbraw/zinc/07/10/63/910071063.db2.gz AGFKSLZPOLVMPF-UHFFFAOYSA-N -2 3 375.780 3.734 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1Br)c1cc2c(s1)CCCC2 ZINC001187220349 915128832 /nfs/dbraw/zinc/12/88/32/915128832.db2.gz YVWNTTRXCGFDFB-UHFFFAOYSA-N -2 3 388.308 3.896 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(Cl)nc2Cl)ccc1Cl ZINC001188277394 915870358 /nfs/dbraw/zinc/87/03/58/915870358.db2.gz WOMUSTJLSBFSOP-UHFFFAOYSA-N -2 3 399.614 3.680 20 0 GHADHL O=c1cc(-c2ccccc2)nc(SCc2cc(=O)oc3cc([O-])ccc23)[n-]1 ZINC001190201205 917195567 /nfs/dbraw/zinc/19/55/67/917195567.db2.gz MMRCDCNVGISDDL-UHFFFAOYSA-N -2 3 378.409 3.954 20 0 GHADHL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000366933567 921826445 /nfs/dbraw/zinc/82/64/45/921826445.db2.gz WUFVJXSXCDVLKB-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1OCC ZINC000677124418 924248403 /nfs/dbraw/zinc/24/84/03/924248403.db2.gz ZGHHUJDNCCNKNP-UHFFFAOYSA-N -2 3 393.461 3.600 20 0 GHADHL CC(C)Oc1c([N-]S(=O)(=O)/C=C\c2ccccc2F)cccc1C(=O)[O-] ZINC000799925347 933170901 /nfs/dbraw/zinc/17/09/01/933170901.db2.gz KKYHMIOCIQMGFM-KHPPLWFESA-N -2 3 379.409 3.724 20 0 GHADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000400670289 973306988 /nfs/dbraw/zinc/30/69/88/973306988.db2.gz VFBPHKRIXNRGTA-LDYMZIIASA-N -2 3 387.807 3.527 20 0 GHADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1Cl ZINC000547907198 974449179 /nfs/dbraw/zinc/44/91/79/974449179.db2.gz FPYBYYGUJLVEQF-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(C)cc3C(=O)[O-])ccc2[nH]1 ZINC001595799152 982611966 /nfs/dbraw/zinc/61/19/66/982611966.db2.gz NHWUDFVWBZXFNH-UHFFFAOYSA-N -2 3 387.461 3.713 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c(C)c1 ZINC001595966123 983171234 /nfs/dbraw/zinc/17/12/34/983171234.db2.gz DHOXODCISSHASV-UHFFFAOYSA-N -2 3 389.473 3.701 20 0 GHADHL CSc1ccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC001599812438 988360817 /nfs/dbraw/zinc/36/08/17/988360817.db2.gz WOQDQVXPSZHBGR-AWEZNQCLSA-N -2 3 397.543 3.625 20 0 GHADHL CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@@H](c2ccccc2)C1 ZINC001593882349 996713251 /nfs/dbraw/zinc/71/32/51/996713251.db2.gz SFQWWPHOAJXZQT-CABCVRRESA-N -2 3 377.462 3.619 20 0 GHADHL COc1ccc([C@H]([N-]C(=O)C(F)(F)c2ccccc2C)C(=O)[O-])cc1Cl ZINC001599516835 997403822 /nfs/dbraw/zinc/40/38/22/997403822.db2.gz AGHBHIWUXCBJSE-HNNXBMFYSA-N -2 3 383.778 3.691 20 0 GHADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000562465317 1018181736 /nfs/dbraw/zinc/18/17/36/1018181736.db2.gz AUFDYSRJALKKDB-NSHDSACASA-N -2 3 382.309 3.943 20 0 GHADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@H]1CCc2ccccc2C1 ZINC001228122073 1032795963 /nfs/dbraw/zinc/79/59/63/1032795963.db2.gz KQSFTTTYOQSUST-SFHVURJKSA-N -2 3 376.408 3.971 20 0 GHADHL O=C(Nc1ccc([O-])c(C(=O)Nc2cccc(F)c2[O-])c1)OCC(F)(F)F ZINC001151772377 1030995242 /nfs/dbraw/zinc/99/52/42/1030995242.db2.gz OYDSHVNCXNEHBN-UHFFFAOYSA-N -2 3 388.273 3.600 20 0 GHADHL C[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1)c1cncnc1 ZINC001225628631 1031517913 /nfs/dbraw/zinc/51/79/13/1031517913.db2.gz QMULCZDBKNICKC-LLVKDONJSA-N -2 3 392.367 3.507 20 0 GHADHL O=C(Nc1ccccc1[S-])c1c[n-]c2cc(Br)ccc2c1=O ZINC001153878268 1031788372 /nfs/dbraw/zinc/78/83/72/1031788372.db2.gz ROJPHMAWVZJJEI-UHFFFAOYSA-N -2 3 375.247 3.832 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cccnc2-c2ccc(C)cc2[O-])cc1 ZINC001241035553 1042970457 /nfs/dbraw/zinc/97/04/57/1042970457.db2.gz AKMCTKOLMOZIQB-UHFFFAOYSA-N -2 3 384.457 3.962 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(Cl)cc2)o1 ZINC000740172751 599766744 /nfs/dbraw/zinc/76/67/44/599766744.db2.gz GMIRRSGGJFLOML-KRWDZBQOSA-N -2 3 391.832 3.699 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccc(Cl)c2)o1 ZINC000740172780 599772014 /nfs/dbraw/zinc/77/20/14/599772014.db2.gz HEJXARSXQNFDPH-KRWDZBQOSA-N -2 3 391.832 3.699 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000392929122 599801313 /nfs/dbraw/zinc/80/13/13/599801313.db2.gz NWHCEICWOAHYTR-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)cc1 ZINC000737210557 600069092 /nfs/dbraw/zinc/06/90/92/600069092.db2.gz MJJPWLSQPZVPLY-UHFFFAOYSA-N -2 3 395.502 3.594 20 0 GHADHL CC(C)c1ccc2c(Cl)c(C(=O)[N-]c3n[nH]c(CC(=O)[O-])n3)sc2c1 ZINC000736522190 600179999 /nfs/dbraw/zinc/17/99/99/600179999.db2.gz VWZNOWOQDFVMSZ-UHFFFAOYSA-N -2 3 378.841 3.676 20 0 GHADHL Cc1c([O-])ccc2c(CNc3ccc(OCCCC(=O)[O-])cc3)cc(=O)oc12 ZINC000738305287 600504338 /nfs/dbraw/zinc/50/43/38/600504338.db2.gz LYMBIRFHSGBQCJ-UHFFFAOYSA-N -2 3 383.400 3.663 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1C(=O)[O-] ZINC000047949111 600541294 /nfs/dbraw/zinc/54/12/94/600541294.db2.gz DKVWNLLLNKSWLM-UHFFFAOYSA-N -2 3 397.452 3.785 20 0 GHADHL O=C([O-])[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1F ZINC000833170418 600832939 /nfs/dbraw/zinc/83/29/39/600832939.db2.gz QFQJMYLUVMTLCU-OAHLLOKOSA-N -2 3 396.403 3.578 20 0 GHADHL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000833344695 601383459 /nfs/dbraw/zinc/38/34/59/601383459.db2.gz FYQSZZUVDDJFRB-UHFFFAOYSA-N -2 3 381.624 3.541 20 0 GHADHL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1 ZINC000738676588 602645891 /nfs/dbraw/zinc/64/58/91/602645891.db2.gz SGEZSTLIDXCALK-UHFFFAOYSA-N -2 3 391.449 3.562 20 0 GHADHL CC[C@@H](c1nnc([N-]C(=O)c2ccc(CNC(=O)[O-])o2)s1)c1ccccc1 ZINC000826638785 602880069 /nfs/dbraw/zinc/88/00/69/602880069.db2.gz HHIGAQHGDQOYHF-CYBMUJFWSA-N -2 3 386.433 3.693 20 0 GHADHL O=C([O-])N1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc21 ZINC000832015321 603912427 /nfs/dbraw/zinc/91/24/27/603912427.db2.gz LIZXHTFNMDTQNN-UHFFFAOYSA-N -2 3 390.399 3.976 20 0 GHADHL Cc1cc([C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)oc1C(=O)[O-] ZINC000832875577 604666673 /nfs/dbraw/zinc/66/66/73/604666673.db2.gz UGGLGWPWXZWNHL-LLVKDONJSA-N -2 3 396.428 3.974 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000547937683 837716786 /nfs/dbraw/zinc/71/67/86/837716786.db2.gz CUBGJSXTNXIZGO-GHMZBOCLSA-N -2 3 387.885 3.952 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000175775721 836997841 /nfs/dbraw/zinc/99/78/41/836997841.db2.gz FMTGJBIPUXUUBY-UHFFFAOYSA-N -2 3 387.379 3.989 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Br)c2C)cc1C(=O)[O-] ZINC000323346596 837872058 /nfs/dbraw/zinc/87/20/58/837872058.db2.gz YZKZABICCIBLTM-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1F ZINC000180018148 838494786 /nfs/dbraw/zinc/49/47/86/838494786.db2.gz HAWTWRVUQGMUSE-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1 ZINC000047906676 839524049 /nfs/dbraw/zinc/52/40/49/839524049.db2.gz OYMVMWZESTUDFZ-UHFFFAOYSA-N -2 3 397.452 3.542 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1Cl ZINC000432694875 843514859 /nfs/dbraw/zinc/51/48/59/843514859.db2.gz XTEKTYFRFWVJAM-GFCCVEGCSA-N -2 3 397.880 3.721 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000519060674 850555877 /nfs/dbraw/zinc/55/58/77/850555877.db2.gz JLWMSVICWKDOIV-UHFFFAOYSA-N -2 3 383.425 3.765 20 0 GHADHL Cc1n[n-]cc1C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[n-]s1 ZINC000505747062 851140968 /nfs/dbraw/zinc/14/09/68/851140968.db2.gz FJCUZBXMUJOLSO-UHFFFAOYSA-N -2 3 377.429 3.703 20 0 GHADHL O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(F)ccc1[O-] ZINC000436524843 852014188 /nfs/dbraw/zinc/01/41/88/852014188.db2.gz CDIXOXMAEZTXSZ-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436626636 852121277 /nfs/dbraw/zinc/12/12/77/852121277.db2.gz SFLHSNIIQQIRFY-AWEZNQCLSA-N -2 3 395.242 3.648 20 0 GHADHL O=C([O-])c1cc([N-]S(=O)(=O)CCOCC2CCCC2)cc(Cl)c1Cl ZINC000517018810 853259560 /nfs/dbraw/zinc/25/95/60/853259560.db2.gz YAVQYAJONCJLTL-UHFFFAOYSA-N -2 3 396.292 3.640 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)cc1C ZINC001116914143 856569805 /nfs/dbraw/zinc/56/98/05/856569805.db2.gz NEUVZIRTPXNISR-UHFFFAOYSA-N -2 3 386.267 3.663 20 0 GHADHL CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1 ZINC000063476287 857621293 /nfs/dbraw/zinc/62/12/93/857621293.db2.gz RZTHFHGGSFHGQR-UHFFFAOYSA-N -2 3 377.462 3.602 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442240426 857644367 /nfs/dbraw/zinc/64/43/67/857644367.db2.gz WXVMZFOIWFMROI-UHFFFAOYSA-N -2 3 375.780 3.680 20 0 GHADHL Cc1nc(C=Cc2ccccc2OCC(F)(F)F)[n-]c(=O)c1CCC(=O)[O-] ZINC000443458801 858717288 /nfs/dbraw/zinc/71/72/88/858717288.db2.gz ZUIWXRREWDCERQ-VURMDHGXSA-N -2 3 382.338 3.619 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(=O)c2ccccc2)c1 ZINC000466290473 858986078 /nfs/dbraw/zinc/98/60/78/858986078.db2.gz RAEZTOYFKKHUFT-UHFFFAOYSA-N -2 3 395.436 3.725 20 0 GHADHL COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000172108976 863229495 /nfs/dbraw/zinc/22/94/95/863229495.db2.gz VIYCSZIDSHCRES-UHFFFAOYSA-N -2 3 390.852 3.614 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)cc1[O-])C1=Cc2ccccc2CC1 ZINC000743260366 868031948 /nfs/dbraw/zinc/03/19/48/868031948.db2.gz CBENHPPQUFKRSC-UHFFFAOYSA-N -2 3 380.263 3.884 20 0 GHADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793405150 882178918 /nfs/dbraw/zinc/17/89/18/882178918.db2.gz MTRDBLURVMBUGA-UHFFFAOYSA-N -2 3 391.342 3.960 20 0 GHADHL CCCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC001192649392 870555632 /nfs/dbraw/zinc/55/56/32/870555632.db2.gz YVICDBIBUCHTES-UHFFFAOYSA-N -2 3 377.462 3.927 20 0 GHADHL O=S(=O)(CC1CCC1)[N-]c1cc(Br)c(C(F)(F)F)cc1[O-] ZINC001193523955 871158649 /nfs/dbraw/zinc/15/86/49/871158649.db2.gz RDWACDMSHFCVHI-UHFFFAOYSA-N -2 3 388.205 3.715 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3nc(C(C)C)sc3c2)c1 ZINC000540501885 871470982 /nfs/dbraw/zinc/47/09/82/871470982.db2.gz VCGJPFYCRPGAKB-UHFFFAOYSA-N -2 3 378.475 3.935 20 0 GHADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)c1 ZINC000539401005 871903185 /nfs/dbraw/zinc/90/31/85/871903185.db2.gz XQLUWDQLUFBTCW-UHFFFAOYSA-N -2 3 393.424 3.525 20 0 GHADHL Cc1ccnc(F)c1[N-]S(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196074314 872864216 /nfs/dbraw/zinc/86/42/16/872864216.db2.gz BVNATMSZEAXEMS-UHFFFAOYSA-N -2 3 386.404 3.695 20 0 GHADHL COc1cc(Br)ccc1S(=O)(=O)[N-]c1cc([O-])cc(Cl)c1 ZINC001196607763 873228875 /nfs/dbraw/zinc/22/88/75/873228875.db2.gz RMJNECLPIDQRLR-UHFFFAOYSA-N -2 3 392.658 3.618 20 0 GHADHL O=c1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)n(C2CCCC2)[n-]1 ZINC001201248047 875577315 /nfs/dbraw/zinc/57/73/15/875577315.db2.gz UDGHEXXPFFBBKV-UHFFFAOYSA-N -2 3 394.255 3.951 20 0 GHADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)c1 ZINC000786038870 876424518 /nfs/dbraw/zinc/42/45/18/876424518.db2.gz XNTBNUOITZTFFY-UHFFFAOYSA-N -2 3 399.255 3.651 20 0 GHADHL O=C(Nc1ccc(F)cc1[O-])c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000532012843 880917677 /nfs/dbraw/zinc/91/76/77/880917677.db2.gz JNQUFPDUDRPVPK-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c(C)c1 ZINC000475751010 883150570 /nfs/dbraw/zinc/15/05/70/883150570.db2.gz WDVCOVJINCFYBL-UHFFFAOYSA-N -2 3 383.853 3.855 20 0 GHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000614863619 888400235 /nfs/dbraw/zinc/40/02/35/888400235.db2.gz LFZWPBUDOUSCAR-UHFFFAOYSA-N -2 3 377.462 3.898 20 0 GHADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000917737311 892449932 /nfs/dbraw/zinc/44/99/32/892449932.db2.gz HWOLLZDIAOHQLQ-UHFFFAOYSA-N -2 3 375.446 3.815 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3nccs3)cc2)ccc1F ZINC001186184456 914348907 /nfs/dbraw/zinc/34/89/07/914348907.db2.gz WIDPVRBUBCAHNW-UHFFFAOYSA-N -2 3 394.405 3.574 20 0 GHADHL O=C(Nc1ncc([O-])cc1Br)c1ccc(C(F)(F)F)cc1[O-] ZINC001148795331 904212580 /nfs/dbraw/zinc/21/25/80/904212580.db2.gz ZYCWTCYBUHPDKH-UHFFFAOYSA-N -2 3 377.116 3.526 20 0 GHADHL CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(OC)c(C(=O)[O-])cc2F)c1 ZINC000629325738 906706618 /nfs/dbraw/zinc/70/66/18/906706618.db2.gz QMYXAWXKZKOHNO-NSHDSACASA-N -2 3 397.424 3.511 20 0 GHADHL O=C(Nc1nc(Br)ccc1[O-])c1ccc(C(F)(F)F)c([O-])c1 ZINC000774098315 911380568 /nfs/dbraw/zinc/38/05/68/911380568.db2.gz ZGGZRTORPIXKTG-UHFFFAOYSA-N -2 3 377.116 3.526 20 0 GHADHL O=C(NCCCCP(=O)([O-])[O-])c1ccccc1SCc1cccc(F)c1 ZINC001187777332 915488984 /nfs/dbraw/zinc/48/89/84/915488984.db2.gz BPTXEGKJAVTBFQ-UHFFFAOYSA-N -2 3 397.408 3.806 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1cc(F)cc(C(F)(F)F)c1 ZINC001189948701 917013096 /nfs/dbraw/zinc/01/30/96/917013096.db2.gz IDEIUXLACWDKPU-UHFFFAOYSA-N -2 3 392.355 3.961 20 0 GHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2c(Cl)ccc3cccnc32)cc1 ZINC001192141187 918474815 /nfs/dbraw/zinc/47/48/15/918474815.db2.gz OEMMRAHYXHTDAR-UHFFFAOYSA-N -2 3 390.848 3.706 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000683071674 926350958 /nfs/dbraw/zinc/35/09/58/926350958.db2.gz FUJKRBCZAHXXGV-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C2SCCS2)c1 ZINC000757642869 929755968 /nfs/dbraw/zinc/75/59/68/929755968.db2.gz APZQLSXLZISLSG-UHFFFAOYSA-N -2 3 395.527 3.973 20 0 GHADHL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1)C(=O)[O-] ZINC000829962798 935885909 /nfs/dbraw/zinc/88/59/09/935885909.db2.gz SUYVHOLSKZLSQN-LBPRGKRZSA-N -2 3 393.486 3.594 20 0 GHADHL N#Cc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c(Cl)c1 ZINC000327846258 971428519 /nfs/dbraw/zinc/42/85/19/971428519.db2.gz LWVOGPCJXLROKI-UHFFFAOYSA-N -2 3 392.845 3.925 20 0 GHADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(=O)[O-] ZINC001588653196 960401777 /nfs/dbraw/zinc/40/17/77/960401777.db2.gz SEASSRSGJCZQCN-SNVBAGLBSA-N -2 3 390.914 3.508 20 0 GHADHL CCC1CCC([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)(C(=O)[O-])CC1 ZINC001595431077 981051335 /nfs/dbraw/zinc/05/13/35/981051335.db2.gz IMPGLRVJEQBXPT-UHFFFAOYSA-N -2 3 394.518 3.512 20 0 GHADHL CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)c1ccc(F)cc1F ZINC001595601020 981585615 /nfs/dbraw/zinc/58/56/15/981585615.db2.gz RUUJVHHHKSCGAI-LBPRGKRZSA-N -2 3 393.795 3.729 20 0 GHADHL CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001595622564 981711903 /nfs/dbraw/zinc/71/19/03/981711903.db2.gz UJRSUCLCEXNDBE-MFKMUULPSA-N -2 3 377.865 3.815 20 0 GHADHL CCCCC1CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001595660483 982070211 /nfs/dbraw/zinc/07/02/11/982070211.db2.gz GNUOKYREFJOYPS-UHFFFAOYSA-N -2 3 375.437 3.690 20 0 GHADHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)C(F)(F)F ZINC001594922172 982475376 /nfs/dbraw/zinc/47/53/76/982475376.db2.gz XAGYHHWHZMZBBH-MEBBXXQBSA-N -2 3 389.395 3.793 20 0 GHADHL CC(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)cc1[O-] ZINC001589277067 985991401 /nfs/dbraw/zinc/99/14/01/985991401.db2.gz AOQDAOPZZDAEOV-IBGZPJMESA-N -2 3 377.396 3.694 20 0 GHADHL CC(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)cc1[O-] ZINC001589278777 986000470 /nfs/dbraw/zinc/00/04/70/986000470.db2.gz HZHUIYBZYXUOIH-UHFFFAOYSA-N -2 3 396.424 3.593 20 0 GHADHL C[C@H](C(=O)[O-])c1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001589521672 987168905 /nfs/dbraw/zinc/16/89/05/987168905.db2.gz RTUHSEULWQSTQT-JTQLQIEISA-N -2 3 391.449 3.931 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)cc1C ZINC001599393970 997089919 /nfs/dbraw/zinc/08/99/19/997089919.db2.gz UOVPEACQSZFEIX-UHFFFAOYSA-N -2 3 395.502 3.680 20 0 GHADHL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3Cl)c2O1 ZINC001593968170 997117426 /nfs/dbraw/zinc/11/74/26/997117426.db2.gz BWBVBCSHHYPSMD-UHFFFAOYSA-N -2 3 381.837 3.553 20 0 GHADHL COCc1nc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])sc1C(=O)[O-] ZINC001599301377 997240177 /nfs/dbraw/zinc/24/01/77/997240177.db2.gz BNLBQWMVZWYQPS-UHFFFAOYSA-N -2 3 398.440 3.536 20 0 GHADHL COc1ccc([C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])C(=O)[O-])cc1Cl ZINC001599524198 997531536 /nfs/dbraw/zinc/53/15/36/997531536.db2.gz GUDCCCYCXSMWFR-QGZVFWFLSA-N -2 3 377.824 3.733 20 0 GHADHL COc1cc(C)ccc1-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215470716 1029224791 /nfs/dbraw/zinc/22/47/91/1029224791.db2.gz AEGVXLLHGRVGNJ-UHFFFAOYSA-N -2 3 377.194 3.894 20 0 GHADHL CCCOC[C@@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1 ZINC001225626740 1031517872 /nfs/dbraw/zinc/51/78/72/1031517872.db2.gz UIQVFJAFLGMTKA-GFCCVEGCSA-N -2 3 386.400 3.771 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Br)c1c(Cl)cccc1Cl ZINC001257678674 1044112952 /nfs/dbraw/zinc/11/29/52/1044112952.db2.gz FPUJJFDDDWGKTG-UHFFFAOYSA-N -2 3 398.065 3.657 20 0 GHADHL Cc1c(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1Br ZINC001260227933 1045420081 /nfs/dbraw/zinc/42/00/81/1045420081.db2.gz NGXIJHOEOPUNRG-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1cc(F)c(Br)cc1F ZINC001260255107 1045429981 /nfs/dbraw/zinc/42/99/81/1045429981.db2.gz PHFMSEDIRLHKCU-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL [O-]C(c1cnc([N-]c2ncnc3ccncc32)s1)(C(F)(F)F)C(F)(F)F ZINC001335448872 1052103392 /nfs/dbraw/zinc/10/33/92/1052103392.db2.gz KYBMGOSAACYRGV-UHFFFAOYSA-N -2 3 395.288 3.537 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)c(Cl)c1 ZINC001318839160 1054909954 /nfs/dbraw/zinc/90/99/54/1054909954.db2.gz DXANWCCEYWUTQD-UHFFFAOYSA-N -2 3 394.811 3.769 20 0 GHADHL CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001440527768 1058529641 /nfs/dbraw/zinc/52/96/41/1058529641.db2.gz HOTMLLIFRXSVQT-UHFFFAOYSA-N -2 3 396.896 3.766 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC001338903389 1058867340 /nfs/dbraw/zinc/86/73/40/1058867340.db2.gz MOEUFCFRPQRSSS-UHFFFAOYSA-N -2 3 396.184 3.974 20 0 GHADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000477405269 599907277 /nfs/dbraw/zinc/90/72/77/599907277.db2.gz NHNACMHGSHHURZ-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OC2CCCCC2)cc1 ZINC000740242241 600211431 /nfs/dbraw/zinc/21/14/31/600211431.db2.gz SFRLAUXXSXQQDW-UHFFFAOYSA-N -2 3 375.446 3.897 20 0 GHADHL O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000740024795 600448353 /nfs/dbraw/zinc/44/83/53/600448353.db2.gz KNNGLJKOBQZERY-UHFFFAOYSA-N -2 3 389.260 3.604 20 0 GHADHL CC1(C)Cc2ccc(C(=O)Nc3ccc(OCCCC(=O)[O-])cc3)c([O-])c2O1 ZINC000736737584 600505631 /nfs/dbraw/zinc/50/56/31/600505631.db2.gz SWOMVASUKHKRMZ-UHFFFAOYSA-N -2 3 385.416 3.602 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cc1C(=O)[O-] ZINC000509569764 600544116 /nfs/dbraw/zinc/54/41/16/600544116.db2.gz OUBVXLJVZJFMQK-UHFFFAOYSA-N -2 3 389.454 3.923 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(Cl)c1Cl ZINC000484561333 601048329 /nfs/dbraw/zinc/04/83/29/601048329.db2.gz BACUVBLAEYNUPX-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1C(=O)[O-] ZINC000464838151 601617545 /nfs/dbraw/zinc/61/75/45/601617545.db2.gz NBNKZEOURLYGKI-UHFFFAOYSA-N -2 3 387.379 3.989 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(COC(C)(C)C)cc1 ZINC000675094079 601785416 /nfs/dbraw/zinc/78/54/16/601785416.db2.gz KZJGANIPXMBNAA-UHFFFAOYSA-N -2 3 377.462 3.809 20 0 GHADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000825951799 601927085 /nfs/dbraw/zinc/92/70/85/601927085.db2.gz PDVRXHZECVUCGK-UHFFFAOYSA-N -2 3 388.228 3.695 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000547613717 602161729 /nfs/dbraw/zinc/16/17/29/602161729.db2.gz QNMNOISHGMIQAC-PXAZEXFGSA-N -2 3 391.420 3.621 20 0 GHADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(NC(=O)[O-])c(C)c3)c2)n1 ZINC000829892982 605420859 /nfs/dbraw/zinc/42/08/59/605420859.db2.gz BVKKJSWATPRUIQ-UHFFFAOYSA-N -2 3 379.372 3.775 20 0 GHADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1F ZINC000547917021 837535708 /nfs/dbraw/zinc/53/57/08/837535708.db2.gz YMOJXFKYROAHHE-ZDUSSCGKSA-N -2 3 392.235 3.627 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1OCC(F)F ZINC000471114961 834694075 /nfs/dbraw/zinc/69/40/75/834694075.db2.gz UEUZEZOCHZOWPB-UHFFFAOYSA-N -2 3 399.415 3.755 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1Cl ZINC000471117281 834732166 /nfs/dbraw/zinc/73/21/66/834732166.db2.gz UBQBUCGOEQCHJE-UHFFFAOYSA-N -2 3 383.853 3.855 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c(C)c1C ZINC000536198681 835470586 /nfs/dbraw/zinc/47/05/86/835470586.db2.gz NWJUVDNGGDYADL-UHFFFAOYSA-N -2 3 377.462 3.520 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1C ZINC000536199651 835476181 /nfs/dbraw/zinc/47/61/81/835476181.db2.gz UGJAWUDBOGBLGH-UHFFFAOYSA-N -2 3 377.462 3.602 20 0 GHADHL COc1cc(S(=O)(=O)[N-]c2cccc(C)c2Cl)c(Cl)cc1C(=O)[O-] ZINC000531145131 836424485 /nfs/dbraw/zinc/42/44/85/836424485.db2.gz YYFJDPLLPQWLBA-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)(CC(=O)[O-])C1 ZINC000547899394 837380294 /nfs/dbraw/zinc/38/02/94/837380294.db2.gz UOUVENCNVJGGBU-ZUZCIYMTSA-N -2 3 380.293 3.553 20 0 GHADHL CCCc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000543863907 839230901 /nfs/dbraw/zinc/23/09/01/839230901.db2.gz JMKQOXRRQSYAPM-UHFFFAOYSA-N -2 3 375.490 3.992 20 0 GHADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000511680743 840506847 /nfs/dbraw/zinc/50/68/47/840506847.db2.gz JTBMSZANNGWFHI-AWEZNQCLSA-N -2 3 377.462 3.980 20 0 GHADHL CCOc1cc(C=NNc2ccccc2C(=O)[O-])cc(Br)c1[O-] ZINC000254381428 842856450 /nfs/dbraw/zinc/85/64/50/842856450.db2.gz RLVOSFCRMSIPSR-UHFFFAOYSA-N -2 3 379.210 3.698 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)c(C)c1C(=O)[O-] ZINC000512735365 845243182 /nfs/dbraw/zinc/24/31/82/845243182.db2.gz XKSNPUQIRKNKNV-UHFFFAOYSA-N -2 3 377.462 3.898 20 0 GHADHL O=C([O-])c1ccccc1COc1cccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000731563245 861713694 /nfs/dbraw/zinc/71/36/94/861713694.db2.gz NKCFYOCSIOWBTE-BKUYFWCQSA-N -2 3 399.402 3.774 20 0 GHADHL CC(C)(C)CCS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000582758177 848310448 /nfs/dbraw/zinc/31/04/48/848310448.db2.gz XXYAWDAODMYSBD-UHFFFAOYSA-N -2 3 396.534 3.665 20 0 GHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1 ZINC000504695431 850242393 /nfs/dbraw/zinc/24/23/93/850242393.db2.gz OTVACZDHAWDAOE-CYBMUJFWSA-N -2 3 395.502 3.841 20 0 GHADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436626638 852121100 /nfs/dbraw/zinc/12/11/00/852121100.db2.gz SFLHSNIIQQIRFY-CQSZACIVSA-N -2 3 395.242 3.648 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)cc1C(=O)[O-] ZINC000055585808 855353480 /nfs/dbraw/zinc/35/34/80/855353480.db2.gz HGCZAZMATNNEFO-UHFFFAOYSA-N -2 3 397.456 3.568 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000485056457 856037055 /nfs/dbraw/zinc/03/70/55/856037055.db2.gz LANLEMQHIOVQAT-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)ccc1C(=O)[O-] ZINC000507908377 856681889 /nfs/dbraw/zinc/68/18/89/856681889.db2.gz LAXJAAFUBQPMPU-UHFFFAOYSA-N -2 3 387.379 3.989 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1Oc1ccncc1 ZINC000507921661 856693932 /nfs/dbraw/zinc/69/39/32/856693932.db2.gz YIHOXJKZOGQKNU-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000057748406 857229944 /nfs/dbraw/zinc/22/99/44/857229944.db2.gz IJXXLGOJXDLFJM-UHFFFAOYSA-N -2 3 393.424 3.525 20 0 GHADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C2CCCCCCC2)s1 ZINC000761235635 859725713 /nfs/dbraw/zinc/72/57/13/859725713.db2.gz VTSUIOFUCKYRCY-UHFFFAOYSA-N -2 3 396.328 3.600 20 0 GHADHL C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761265194 860109228 /nfs/dbraw/zinc/10/92/28/860109228.db2.gz QHSFJJZCSRZYNO-QMMMGPOBSA-N -2 3 394.301 3.663 20 0 GHADHL O=S(=O)([N-]c1c([O-])cccc1F)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000743260355 868031103 /nfs/dbraw/zinc/03/11/03/868031103.db2.gz BRQRKZMIOHMBKC-UHFFFAOYSA-N -2 3 385.363 3.862 20 0 GHADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc(Cl)ccc1SC1CCCC1 ZINC001168430592 869268617 /nfs/dbraw/zinc/26/86/17/869268617.db2.gz NZYBGJSTDNEFEP-UHFFFAOYSA-N -2 3 379.869 3.506 20 0 GHADHL Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427343169 882406814 /nfs/dbraw/zinc/40/68/14/882406814.db2.gz ADXFGNLCXJNZLT-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccsc3)cc2)cc1 ZINC001192728343 870620089 /nfs/dbraw/zinc/62/00/89/870620089.db2.gz FJIVEHZFXSCOMF-UHFFFAOYSA-N -2 3 389.454 3.679 20 0 GHADHL CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1 ZINC000462106422 871602605 /nfs/dbraw/zinc/60/26/05/871602605.db2.gz WYUZRESGTGZVKA-UHFFFAOYSA-N -2 3 377.462 3.684 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)c1 ZINC000539400707 871903471 /nfs/dbraw/zinc/90/34/71/871903471.db2.gz VIVFFADOBHQKQH-UHFFFAOYSA-N -2 3 376.459 3.634 20 0 GHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1 ZINC000541304145 873322747 /nfs/dbraw/zinc/32/27/47/873322747.db2.gz STRMNDAYZRDPTH-CQSZACIVSA-N -2 3 377.462 3.853 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cccc(Cl)c1Br ZINC000491608879 875845224 /nfs/dbraw/zinc/84/52/24/875845224.db2.gz BYMJHWITROAKKO-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC000460837230 878691492 /nfs/dbraw/zinc/69/14/92/878691492.db2.gz SBINOVOCWITOCC-UHFFFAOYSA-N -2 3 393.436 3.955 20 0 GHADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC000790382611 879654909 /nfs/dbraw/zinc/65/49/09/879654909.db2.gz XTSBCDCKBRKNGX-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL Cc1ccc(Cc2nnc([N-]C(=O)c3cc(F)c(F)c([O-])c3F)s2)cc1 ZINC000183589895 880123332 /nfs/dbraw/zinc/12/33/32/880123332.db2.gz NTVKIJACMJVFGL-UHFFFAOYSA-N -2 3 379.363 3.813 20 0 GHADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000794756477 888015069 /nfs/dbraw/zinc/01/50/69/888015069.db2.gz CAIBYMFYYVIJRD-UHFFFAOYSA-N -2 3 387.807 3.672 20 0 GHADHL CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000821173699 897778507 /nfs/dbraw/zinc/77/85/07/897778507.db2.gz VVJDNDYDQXNNAJ-UHFFFAOYSA-N -2 3 386.882 3.620 20 0 GHADHL O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1c([O-])cccc1Br ZINC001191898444 918289556 /nfs/dbraw/zinc/28/95/56/918289556.db2.gz UQJZQDMJJZYJDI-UHFFFAOYSA-N -2 3 394.649 3.889 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1C ZINC000544097738 928803937 /nfs/dbraw/zinc/80/39/37/928803937.db2.gz WDGRWKCKJJSTPU-GFCCVEGCSA-N -2 3 377.462 3.691 20 0 GHADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)ccc2O1 ZINC000759172422 930299000 /nfs/dbraw/zinc/29/90/00/930299000.db2.gz TZFJYGYXRFGWKQ-UHFFFAOYSA-N -2 3 381.837 3.553 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])c1Cl ZINC000547577843 931128022 /nfs/dbraw/zinc/12/80/22/931128022.db2.gz QUKUDONGSJXXNZ-IAQYHMDHSA-N -2 3 380.293 3.614 20 0 GHADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000325108081 971185386 /nfs/dbraw/zinc/18/53/86/971185386.db2.gz YFAXXQUSTORGIY-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c(F)cc1Cl ZINC001259212065 960660725 /nfs/dbraw/zinc/66/07/25/960660725.db2.gz DNLOODROAFVAOS-OAHLLOKOSA-N -2 3 383.828 3.533 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1C ZINC000575155503 974796440 /nfs/dbraw/zinc/79/64/40/974796440.db2.gz NMINUFNLHCADTJ-UHFFFAOYSA-N -2 3 383.853 3.773 20 0 GHADHL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000754261610 978695918 /nfs/dbraw/zinc/69/59/18/978695918.db2.gz WKKMEWLFCLKLQJ-UHFFFAOYSA-N -2 3 387.457 3.901 20 0 GHADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)c1ccc(F)cc1F ZINC001595601019 981585758 /nfs/dbraw/zinc/58/57/58/981585758.db2.gz RUUJVHHHKSCGAI-GFCCVEGCSA-N -2 3 393.795 3.729 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)c(C)c1 ZINC001597137638 986876900 /nfs/dbraw/zinc/87/69/00/986876900.db2.gz NSIZVYHZKIVWTF-UHFFFAOYSA-N -2 3 395.502 3.761 20 0 GHADHL CC(C)(C)c1nc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)sc1C(=O)[O-] ZINC001590545801 990184528 /nfs/dbraw/zinc/18/45/28/990184528.db2.gz PJMKHIJPUJPDLC-UHFFFAOYSA-N -2 3 390.396 3.580 20 0 GHADHL O=C(Nc1ccc(Br)c([O-])c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001138243973 1024451327 /nfs/dbraw/zinc/45/13/27/1024451327.db2.gz ZYXINSMZOQJAGG-UHFFFAOYSA-N -2 3 395.159 3.527 20 0 GHADHL C[C@@H]1C[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)CCO1 ZINC001225629507 1031517864 /nfs/dbraw/zinc/51/78/64/1031517864.db2.gz XKWWOYPASBZBKK-ABAIWWIYSA-N -2 3 384.384 3.523 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(F)(F)F)ccc1F ZINC000326928239 1034268933 /nfs/dbraw/zinc/26/89/33/1034268933.db2.gz WGGOWVVVUYFNIT-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(-c2ccc(F)cc2[O-])nc1 ZINC001242218335 1035868677 /nfs/dbraw/zinc/86/86/77/1035868677.db2.gz SRTBJUPBFPFMQG-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(-c2cccc([O-])c2F)nc1 ZINC001243544455 1036203142 /nfs/dbraw/zinc/20/31/42/1036203142.db2.gz QGKQZHHGAMRTSQ-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)cc1Br ZINC001260227941 1045420554 /nfs/dbraw/zinc/42/05/54/1045420554.db2.gz NPSOWRJJIDCYET-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2C)cn1 ZINC001260228763 1045421157 /nfs/dbraw/zinc/42/11/57/1045421157.db2.gz WQWCPILACYSJRU-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260399389 1045487167 /nfs/dbraw/zinc/48/71/67/1045487167.db2.gz JGOSTGFSRGTKBL-UHFFFAOYSA-N -2 3 376.217 3.506 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cc1OC ZINC001260875159 1045731082 /nfs/dbraw/zinc/73/10/82/1045731082.db2.gz MAAFQGGKFLXIEH-UHFFFAOYSA-N -2 3 392.260 3.825 20 0 GHADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Br)c([O-])c1 ZINC001320697771 1055931690 /nfs/dbraw/zinc/93/16/90/1055931690.db2.gz VJSPAHREPCDMBZ-UHFFFAOYSA-N -2 3 376.659 3.917 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c(F)c1 ZINC000740155255 600235801 /nfs/dbraw/zinc/23/58/01/600235801.db2.gz PGUGVTLMSSDUNM-UHFFFAOYSA-N -2 3 395.355 3.937 20 0 GHADHL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000738113641 600236458 /nfs/dbraw/zinc/23/64/58/600236458.db2.gz HMSQFXRBWCIXSE-UHFFFAOYSA-N -2 3 399.424 3.567 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)cc1C(=O)[O-] ZINC000614754936 600541965 /nfs/dbraw/zinc/54/19/65/600541965.db2.gz GICILHJDYODGDH-UHFFFAOYSA-N -2 3 395.436 3.765 20 0 GHADHL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000828611779 600810833 /nfs/dbraw/zinc/81/08/33/600810833.db2.gz FZSYECOOYPJFGM-UHFFFAOYSA-N -2 3 377.462 3.638 20 0 GHADHL O=C([O-])CCCc1nnc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC000833232316 601188508 /nfs/dbraw/zinc/18/85/08/601188508.db2.gz MRWSNKHOVIGZBP-UHFFFAOYSA-N -2 3 399.428 3.696 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)ccc1F ZINC000730769270 601331222 /nfs/dbraw/zinc/33/12/22/601331222.db2.gz ZSZUMFWEEBHOCA-UHFFFAOYSA-N -2 3 398.843 3.578 20 0 GHADHL Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000832890451 601827576 /nfs/dbraw/zinc/82/75/76/601827576.db2.gz DKVXQEARKILZAQ-UHFFFAOYSA-N -2 3 394.880 3.748 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000829537728 601828887 /nfs/dbraw/zinc/82/88/87/601828887.db2.gz CQUFBVBWHQDHBA-UHFFFAOYSA-N -2 3 383.853 3.936 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)ccc1OC(C)C ZINC000547932445 837665535 /nfs/dbraw/zinc/66/55/35/837665535.db2.gz DCEPYPNYCMCPJZ-UHFFFAOYSA-N -2 3 385.388 3.559 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(Cl)c1 ZINC000129116300 844370092 /nfs/dbraw/zinc/37/00/92/844370092.db2.gz CSGXUWVINDEPMG-UHFFFAOYSA-N -2 3 389.864 3.508 20 0 GHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1 ZINC000548198923 842090235 /nfs/dbraw/zinc/09/02/35/842090235.db2.gz CINFYQOARBTRAA-UHFFFAOYSA-N -2 3 377.462 3.684 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1OCC(F)F ZINC000512732890 845257024 /nfs/dbraw/zinc/25/70/24/845257024.db2.gz HYOABDXGKSQWCB-UHFFFAOYSA-N -2 3 399.415 3.755 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2C)c(C)c1C(=O)[O-] ZINC000512738097 845276674 /nfs/dbraw/zinc/27/66/74/845276674.db2.gz LCTWZCBKAZCMJM-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1F ZINC000548596773 845723780 /nfs/dbraw/zinc/72/37/80/845723780.db2.gz SIPMEINRYFTTNM-UHFFFAOYSA-N -2 3 395.305 3.624 20 0 GHADHL CCc1cc(=O)[n-]c(-c2ccc(N(Cc3ccccc3)C[C@H](C)C(=O)[O-])nc2)n1 ZINC000910396656 851189693 /nfs/dbraw/zinc/18/96/93/851189693.db2.gz YZXXJVHZRFTAMT-HNNXBMFYSA-N -2 3 392.459 3.534 20 0 GHADHL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000534689222 851652582 /nfs/dbraw/zinc/65/25/82/851652582.db2.gz YFNVKJSDXIDJFP-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1 ZINC000516343752 852446887 /nfs/dbraw/zinc/44/68/87/852446887.db2.gz RKLSRAMMBBYJRC-UHFFFAOYSA-N -2 3 377.462 3.684 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1C(=O)[O-] ZINC000440813270 853656692 /nfs/dbraw/zinc/65/66/92/853656692.db2.gz WOVBFSRCCNTKIR-UHFFFAOYSA-N -2 3 398.440 3.935 20 0 GHADHL Cc1nc(C=Cc2ccccc2OCC(F)(F)F)[n-]c(=O)c1CCC(=O)[O-] ZINC000443458800 858717365 /nfs/dbraw/zinc/71/73/65/858717365.db2.gz ZUIWXRREWDCERQ-SOFGYWHQSA-N -2 3 382.338 3.619 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1Br ZINC000013348956 860341364 /nfs/dbraw/zinc/34/13/64/860341364.db2.gz LGZVPKJOJGGVGA-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000607616015 864561119 /nfs/dbraw/zinc/56/11/19/864561119.db2.gz NUCWXLCADSVBCE-UHFFFAOYSA-N -2 3 393.461 3.762 20 0 GHADHL C[C@H]1CC(C)(C)c2cccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)c21 ZINC001192729547 870620150 /nfs/dbraw/zinc/62/01/50/870620150.db2.gz RSUANDAMGHGVCM-ZDUSSCGKSA-N -2 3 389.473 3.736 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)ccc1OCC(=O)[O-] ZINC000447277993 871305721 /nfs/dbraw/zinc/30/57/21/871305721.db2.gz KXBOSVOMJCUOQR-UHFFFAOYSA-N -2 3 375.446 3.527 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)cc1 ZINC000509656171 872009831 /nfs/dbraw/zinc/00/98/31/872009831.db2.gz YEXZGAISELQLIB-UHFFFAOYSA-N -2 3 383.853 3.693 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccc(F)cc2)c(F)cc1F ZINC001195263788 872292123 /nfs/dbraw/zinc/29/21/23/872292123.db2.gz JAUUBCWWYLPYMD-INIZCTEOSA-N -2 3 399.390 3.622 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3nc(SC)sc3c2)c1 ZINC000775669269 872587881 /nfs/dbraw/zinc/58/78/81/872587881.db2.gz IQFVRMGVXLNLDP-UHFFFAOYSA-N -2 3 382.488 3.533 20 0 GHADHL Cc1ccccc1NC(=S)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21 ZINC001198427488 874404640 /nfs/dbraw/zinc/40/46/40/874404640.db2.gz CSQBKRMSAISYLA-UHFFFAOYSA-N -2 3 388.470 3.909 20 0 GHADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cc1C ZINC000541929915 874555328 /nfs/dbraw/zinc/55/53/28/874555328.db2.gz IUZCOCWPCCWCHH-UHFFFAOYSA-N -2 3 377.462 3.520 20 0 GHADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc2)ccn1 ZINC001198782697 874606607 /nfs/dbraw/zinc/60/66/07/874606607.db2.gz MVWYSIQKXQAJPU-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL CCCCCCNC(=S)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21 ZINC001200954974 875438193 /nfs/dbraw/zinc/43/81/93/875438193.db2.gz RACNPNIGWBIJIE-UHFFFAOYSA-N -2 3 382.507 3.659 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)cc(C(=O)[O-])c1C ZINC000530145535 877165868 /nfs/dbraw/zinc/16/58/68/877165868.db2.gz VSKIKLDYDYLWQS-UHFFFAOYSA-N -2 3 389.473 3.696 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000477430053 877608604 /nfs/dbraw/zinc/60/86/04/877608604.db2.gz FAUMNYBKGYGZHR-UHFFFAOYSA-N -2 3 377.462 3.981 20 0 GHADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])no1 ZINC000788140516 877856606 /nfs/dbraw/zinc/85/66/06/877856606.db2.gz YWFMSQODHCCBFI-UHFFFAOYSA-N -2 3 388.445 3.765 20 0 GHADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC1CCCC1 ZINC000776553661 877999433 /nfs/dbraw/zinc/99/94/33/877999433.db2.gz YTSDJZCVHNNAQN-NSHDSACASA-N -2 3 380.293 3.553 20 0 GHADHL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000537197667 894527939 /nfs/dbraw/zinc/52/79/39/894527939.db2.gz VSDBSSQIWUUQRH-UHFFFAOYSA-N -2 3 391.367 3.619 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc(C(=O)[O-])c1C ZINC000760343195 895231124 /nfs/dbraw/zinc/23/11/24/895231124.db2.gz DTFUKARTFLWGLN-UHFFFAOYSA-N -2 3 392.452 3.542 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1C(=O)[O-] ZINC000568242026 897694272 /nfs/dbraw/zinc/69/42/72/897694272.db2.gz NYUYSPFSRPPCQI-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2F)ccc1Cl ZINC001188309093 915905972 /nfs/dbraw/zinc/90/59/72/915905972.db2.gz YFXGGESKXMEFJT-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccc(Oc2cccnc2)cc1 ZINC001188847143 916254266 /nfs/dbraw/zinc/25/42/66/916254266.db2.gz QXJFMZAQXPTJIV-UHFFFAOYSA-N -2 3 399.453 3.990 20 0 GHADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC001192140847 918475340 /nfs/dbraw/zinc/47/53/40/918475340.db2.gz KVZPUDNYEGBZJT-UHFFFAOYSA-N -2 3 390.505 3.659 20 0 GHADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC000410421514 925633126 /nfs/dbraw/zinc/63/31/26/925633126.db2.gz SLKXVUWHDBDNCF-UHFFFAOYSA-N -2 3 378.208 3.560 20 0 GHADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000325428921 971214669 /nfs/dbraw/zinc/21/46/69/971214669.db2.gz YZKVYKSRNBTIKN-UHFFFAOYSA-N -2 3 387.807 3.528 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc(C(F)F)c2)c(F)cc1Cl ZINC001259221424 960681991 /nfs/dbraw/zinc/68/19/91/960681991.db2.gz GOSHZCQLGHIGFN-UHFFFAOYSA-N -2 3 393.770 3.593 20 0 GHADHL Cc1c(Br)ccc([O-])c1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001599971549 986014919 /nfs/dbraw/zinc/01/49/19/986014919.db2.gz WMGMHJYKMBAMRE-UHFFFAOYSA-N -2 3 378.222 3.733 20 0 GHADHL CC(C)(C)C[C@@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)C(=O)[O-] ZINC001589761704 988090229 /nfs/dbraw/zinc/09/02/29/988090229.db2.gz GTHHWRKOWZXDQL-CQSZACIVSA-N -2 3 386.477 3.562 20 0 GHADHL CSc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC001599819694 988490173 /nfs/dbraw/zinc/49/01/73/988490173.db2.gz DJQLSYGWHRHQIM-CQSZACIVSA-N -2 3 385.363 3.689 20 0 GHADHL C[C@](NCc1ccc([O-])c(F)c1F)(C(=O)[O-])c1cccc(Br)c1 ZINC001593299902 994727694 /nfs/dbraw/zinc/72/76/94/994727694.db2.gz XXFIUDAWVHIRRI-MRXNPFEDSA-N -2 3 386.192 3.523 20 0 GHADHL CC(=O)c1ccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)cc1 ZINC001215471096 1029225997 /nfs/dbraw/zinc/22/59/97/1029225997.db2.gz QFAVIWZSIFRHKK-UHFFFAOYSA-N -2 3 375.178 3.780 20 0 GHADHL [O-]c1cc([O-])c(-c2nc(-c3cccc(-n4cccn4)c3)no2)cc1Br ZINC001215471471 1029227229 /nfs/dbraw/zinc/22/72/29/1029227229.db2.gz YNWRJXIOUCLIBB-UHFFFAOYSA-N -2 3 399.204 3.763 20 0 GHADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2ccc(-c3ccccc3)nc2c1 ZINC001152624114 1031305834 /nfs/dbraw/zinc/30/58/34/1031305834.db2.gz LFWOSJSESCIUDG-UHFFFAOYSA-N -2 3 384.372 3.590 20 0 GHADHL CCC(=O)[C@H](CC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1 ZINC001225627453 1031518262 /nfs/dbraw/zinc/51/82/62/1031518262.db2.gz AEDTZFJLKOPDQW-INIZCTEOSA-N -2 3 384.384 3.713 20 0 GHADHL COc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@@H]2C[C@H]3C[C@H]3C2)ccc1O ZINC001229795186 1033721144 /nfs/dbraw/zinc/72/11/44/1033721144.db2.gz GJVPUKLRTAYSEE-DABQJJPHSA-N -2 3 396.395 3.763 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cccnc2-c2cc([O-])cc(F)c2)cc1 ZINC001241262757 1035546561 /nfs/dbraw/zinc/54/65/61/1035546561.db2.gz SNYFLICANUJJNW-UHFFFAOYSA-N -2 3 388.420 3.793 20 0 GHADHL CC1(C)CCNc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)cc21 ZINC001237969904 1042440392 /nfs/dbraw/zinc/44/03/92/1042440392.db2.gz IHXWBZHEEDFSAO-UHFFFAOYSA-N -2 3 394.880 3.932 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1cccc(Br)c1 ZINC001257794722 1044178031 /nfs/dbraw/zinc/17/80/31/1044178031.db2.gz BMBMWBUWKWLGOH-UHFFFAOYSA-N -2 3 385.264 3.565 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1ccc(Br)s1 ZINC001259057803 1044940352 /nfs/dbraw/zinc/94/03/52/1044940352.db2.gz MKLKQQLWYHVGJS-UHFFFAOYSA-N -2 3 386.651 3.810 20 0 GHADHL O=C(Nc1ccc(Br)c([O-])c1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001296431623 1045313377 /nfs/dbraw/zinc/31/33/77/1045313377.db2.gz PYYJNMZBQQPFOX-UHFFFAOYSA-N -2 3 393.624 3.902 20 0 GHADHL CC(=O)c1ccc(OCc2ccccc2)c([N-]S(=O)(=O)CC(C)C)c1[O-] ZINC001259887295 1045328528 /nfs/dbraw/zinc/32/85/28/1045328528.db2.gz VHABRWRUWGXAPK-UHFFFAOYSA-N -2 3 377.462 3.572 20 0 GHADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c1Br ZINC001260227616 1045420422 /nfs/dbraw/zinc/42/04/22/1045420422.db2.gz GKMWUPLVJBOGLS-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Br)c1cc(Cl)cc(Cl)c1 ZINC001260366783 1045476939 /nfs/dbraw/zinc/47/69/39/1045476939.db2.gz LKYCAEIUKRTLEZ-UHFFFAOYSA-N -2 3 398.065 3.657 20 0 GHADHL O=S(=O)([N-]c1nc(Cl)cnc1Cl)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869595 1045726423 /nfs/dbraw/zinc/72/64/23/1045726423.db2.gz ZHDDLBPTMMTGRT-UHFFFAOYSA-N -2 3 389.047 3.597 20 0 GHADHL COCCOc1cccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001260875814 1045731919 /nfs/dbraw/zinc/73/19/19/1045731919.db2.gz AMMDMFLQHKHPRM-UHFFFAOYSA-N -2 3 392.260 3.525 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(SC(F)(F)F)cc2)c1 ZINC001337239745 1052431404 /nfs/dbraw/zinc/43/14/04/1052431404.db2.gz QVMICPIBJMTYLQ-UHFFFAOYSA-N -2 3 379.381 3.814 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2c(C)cc(Cl)cc2C)ccc1OCC(=O)[O-] ZINC001324394567 1057125113 /nfs/dbraw/zinc/12/51/13/1057125113.db2.gz GDRKBVAYCQIUCS-UHFFFAOYSA-N -2 3 383.853 3.529 20 0 GHADHL O=S(=O)([N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cccc(Cl)c1[O-] ZINC000451008043 450602053 /nfs/dbraw/zinc/60/20/53/450602053.db2.gz FETDPOYAMBVLHD-HZPDHXFCSA-N -2 3 397.880 3.529 20 0 GHADHL CN(C)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1Cl ZINC000737376410 600104743 /nfs/dbraw/zinc/10/47/43/600104743.db2.gz VRKDJQUJHBJEKN-UHFFFAOYSA-N -2 3 389.260 3.558 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cs1 ZINC000070156516 600671103 /nfs/dbraw/zinc/67/11/03/600671103.db2.gz GZFBKLIKJPIJPX-UHFFFAOYSA-N -2 3 396.671 3.663 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)cc1C(=O)[O-] ZINC000730768450 600816478 /nfs/dbraw/zinc/81/64/78/600816478.db2.gz PVFFPYRBCKRZMA-UHFFFAOYSA-N -2 3 394.880 3.748 20 0 GHADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000833297010 600982014 /nfs/dbraw/zinc/98/20/14/600982014.db2.gz GPBNGKZBZWVXPF-UHFFFAOYSA-N -2 3 398.843 3.578 20 0 GHADHL O=C([O-])CCC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000833224291 601823345 /nfs/dbraw/zinc/82/33/45/601823345.db2.gz XFYGRZSJJYQCQU-UHFFFAOYSA-N -2 3 381.472 3.894 20 0 GHADHL Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCCCC[C@H]3C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000832990876 601883466 /nfs/dbraw/zinc/88/34/66/601883466.db2.gz GEJKWQCPFDMZEU-IAGOWNOFSA-N -2 3 398.463 3.703 20 0 GHADHL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc2C)n1 ZINC000372006327 601989020 /nfs/dbraw/zinc/98/90/20/601989020.db2.gz JNOPRYAYKZENNO-UHFFFAOYSA-N -2 3 390.392 3.597 20 0 GHADHL C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000825246571 604299165 /nfs/dbraw/zinc/29/91/65/604299165.db2.gz SKTVXIAQYKTWKY-HUUCEWRRSA-N -2 3 384.432 3.693 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1Cc1ccccc1 ZINC000833733250 605368256 /nfs/dbraw/zinc/36/82/56/605368256.db2.gz JQVGKOQQTUOHPZ-UHFFFAOYSA-N -2 3 397.452 3.785 20 0 GHADHL O=C([O-])c1c2c(nc3ccccc31)C(=Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000823387833 606388212 /nfs/dbraw/zinc/38/82/12/606388212.db2.gz ZRPBOVRSUPSBEO-MDZDMXLPSA-N -2 3 375.413 3.661 20 0 GHADHL O=P([O-])([O-])C1(Nc2ccc3c(c2)nc2cc[nH]cc3-2)Cc2ccccc2C1 ZINC001167940268 844877020 /nfs/dbraw/zinc/87/70/20/844877020.db2.gz UDWUHVSFGNIJPJ-UHFFFAOYSA-N -2 3 379.356 3.801 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)cc1C(=O)[O-] ZINC000511239256 849831803 /nfs/dbraw/zinc/83/18/03/849831803.db2.gz GVERUUCLRQSWMJ-UHFFFAOYSA-N -3 3 391.445 3.624 20 0 GHADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000504679569 850232033 /nfs/dbraw/zinc/23/20/33/850232033.db2.gz BAUKLWCYRJGNLP-AWEZNQCLSA-N -2 3 377.462 3.854 20 0 GHADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCCC(C)C ZINC000504723199 850271937 /nfs/dbraw/zinc/27/19/37/850271937.db2.gz ZFSBMPWSVJSDHF-SOFGYWHQSA-N -2 3 386.448 3.722 20 0 GHADHL COc1cccc(Cc2n[n-]c(=NC(=O)c3cc(C(C)C)c([O-])cc3C)s2)c1 ZINC000436542207 852055462 /nfs/dbraw/zinc/05/54/62/852055462.db2.gz AHLNPYZGYIQWMM-UHFFFAOYSA-N -2 3 397.500 3.949 20 0 GHADHL O=c1[n-]c(-c2ccc([O-])c(I)c2)nc2cc(Cl)ccc12 ZINC000436748207 852286688 /nfs/dbraw/zinc/28/66/88/852286688.db2.gz DTAIQOYTEOJSDC-UHFFFAOYSA-N -2 3 398.587 3.966 20 0 GHADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c1 ZINC000436894743 852445803 /nfs/dbraw/zinc/44/58/03/852445803.db2.gz RXMYWQRGYOZQBT-UHFFFAOYSA-N -3 3 375.427 3.620 20 0 GHADHL O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(-c2ccccc2)no1 ZINC000436911455 852478589 /nfs/dbraw/zinc/47/85/89/852478589.db2.gz ARMRDQXOQGPGMR-UHFFFAOYSA-N -2 3 381.779 3.738 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)cc(Br)cc1C ZINC000507042660 852496550 /nfs/dbraw/zinc/49/65/50/852496550.db2.gz YGACWPKFZNJBPG-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1ccc2c(c1)CCCC2 ZINC001116759859 856396829 /nfs/dbraw/zinc/39/68/29/856396829.db2.gz SGGIAISLRNNMDQ-UHFFFAOYSA-N -2 3 382.279 3.834 20 0 GHADHL CCC(CC)c1n[n-]c(=NC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000482653183 858735798 /nfs/dbraw/zinc/73/57/98/858735798.db2.gz BLCDDXGRAZMEPM-UHFFFAOYSA-N -2 3 399.314 3.653 20 0 GHADHL Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000509377076 859226219 /nfs/dbraw/zinc/22/62/19/859226219.db2.gz FNJJVEKQJHRFDK-UHFFFAOYSA-N -2 3 386.404 3.695 20 0 GHADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c1 ZINC000761286358 860541731 /nfs/dbraw/zinc/54/17/31/860541731.db2.gz IVMSRNXPCCQOFR-UHFFFAOYSA-N -2 3 399.255 3.651 20 0 GHADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000523186267 866834175 /nfs/dbraw/zinc/83/41/75/866834175.db2.gz XQIIOONPABWRLN-UHFFFAOYSA-N -2 3 391.489 3.910 20 0 GHADHL Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2s1 ZINC000479291505 867521758 /nfs/dbraw/zinc/52/17/58/867521758.db2.gz XZFZCLVTAUEHGX-UHFFFAOYSA-N -2 3 388.879 3.819 20 0 GHADHL Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)c2)n1 ZINC000156295180 868316110 /nfs/dbraw/zinc/31/61/10/868316110.db2.gz IKBVREWLCLICBA-UHFFFAOYSA-N -2 3 399.472 3.605 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2c(CC)cccc2CC)cc1C(=O)[O-] ZINC001192649406 870557135 /nfs/dbraw/zinc/55/71/35/870557135.db2.gz ZICGFEHCHWMFFK-UHFFFAOYSA-N -2 3 377.462 3.709 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1cc(Br)ccc1F ZINC001195489917 872440487 /nfs/dbraw/zinc/44/04/87/872440487.db2.gz HHNNBXOJXAVLAV-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c(C)c1 ZINC000541000004 872717075 /nfs/dbraw/zinc/71/70/75/872717075.db2.gz RTGAYOLFWIMXHK-UHFFFAOYSA-N -2 3 377.462 3.520 20 0 GHADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1ccc(Br)cc1Cl ZINC001184806605 913416539 /nfs/dbraw/zinc/41/65/39/913416539.db2.gz QEGAKXUMAWONKH-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2nccs2)cc1 ZINC001185905942 914165607 /nfs/dbraw/zinc/16/56/07/914165607.db2.gz GAIGFNOKOVITFY-UHFFFAOYSA-N -2 3 390.442 3.743 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)ccc1Cl ZINC001188279181 915872165 /nfs/dbraw/zinc/87/21/65/915872165.db2.gz BQKSUQVQKUWVHD-UHFFFAOYSA-N -2 3 381.624 3.541 20 0 GHADHL CCCN(Cc1nnc(-c2ccccc2[O-])o1)Cc1nc(=O)c2sccc2[n-]1 ZINC001192062431 918396638 /nfs/dbraw/zinc/39/66/38/918396638.db2.gz WXHOXICZZKDKHD-UHFFFAOYSA-N -2 3 397.460 3.565 20 0 GHADHL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780397827 930505600 /nfs/dbraw/zinc/50/56/00/930505600.db2.gz RPJMBHOXNRUZGO-UHFFFAOYSA-N -2 3 396.415 3.723 20 0 GHADHL CC(C)CCOc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000562229106 934770887 /nfs/dbraw/zinc/77/08/87/934770887.db2.gz FITULLKFPQIZJC-UHFFFAOYSA-N -2 3 377.462 3.539 20 0 GHADHL Cc1cc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)ccc1C(=O)[O-] ZINC001594325658 958168969 /nfs/dbraw/zinc/16/89/69/958168969.db2.gz WRIHMMPMIMTSDF-UHFFFAOYSA-N -2 3 378.384 3.631 20 0 GHADHL Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC001344593178 962214152 /nfs/dbraw/zinc/21/41/52/962214152.db2.gz UISCCUYKCFAZCG-QGZVFWFLSA-N -2 3 388.439 3.645 20 0 GHADHL C[C@](CC(=O)[O-])(NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1cccnc1 ZINC001592303890 977660723 /nfs/dbraw/zinc/66/07/23/977660723.db2.gz NUHAFVYISCMGKH-JOCHJYFZSA-N -2 3 392.411 3.699 20 0 GHADHL C[C@@H](CN(Cc1ccccc1)Cc1cccc([O-])c1Br)C(=O)[O-] ZINC001592604632 978545284 /nfs/dbraw/zinc/54/52/84/978545284.db2.gz JRGUBBXRGIESMD-ZDUSSCGKSA-N -2 3 378.266 3.878 20 0 GHADHL CC[C@@](NCc1nnc(-c2ccccc2[O-])o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304925 980441933 /nfs/dbraw/zinc/44/19/33/980441933.db2.gz BMMWLIMRHAQZBG-IBGZPJMESA-N -2 3 387.823 3.575 20 0 GHADHL CSc1ccc([O-])c(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001599820160 988498886 /nfs/dbraw/zinc/49/88/86/988498886.db2.gz PMBFBSOMASOTLD-GOSISDBHSA-N -2 3 379.865 3.583 20 0 GHADHL CC1(C)CCC[C@@]([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)(C(=O)[O-])C1 ZINC001593899833 996766841 /nfs/dbraw/zinc/76/68/41/996766841.db2.gz UMOMCYBMVJSGOZ-SFHVURJKSA-N -2 3 394.518 3.512 20 0 GHADHL COCCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC001599256970 998320120 /nfs/dbraw/zinc/32/01/20/998320120.db2.gz YJHZQSAPTUBCLG-UHFFFAOYSA-N -2 3 387.413 3.583 20 0 GHADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@@H](c1cccnc1)C1CC1 ZINC001228121673 1032796527 /nfs/dbraw/zinc/79/65/27/1032796527.db2.gz GQOJGTJPDZLERC-JOCHJYFZSA-N -2 3 377.396 3.960 20 0 GHADHL O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(I)cc1[O-] ZINC001151582964 1030948988 /nfs/dbraw/zinc/94/89/88/1030948988.db2.gz PWHKXROJEAHFEZ-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(-c2ccc([O-])cc2F)nc1 ZINC001206044729 1033698624 /nfs/dbraw/zinc/69/86/24/1033698624.db2.gz SRHNTEJIXRHLBH-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c(F)cc1Cl ZINC001259212525 1045012530 /nfs/dbraw/zinc/01/25/30/1045012530.db2.gz QINXAILZXYJFTJ-INIZCTEOSA-N -2 3 383.828 3.607 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)cc1[S-])c1cc(F)c(F)c(F)c1 ZINC001259501234 1045206277 /nfs/dbraw/zinc/20/62/77/1045206277.db2.gz DXVUMPAHHAAESM-UHFFFAOYSA-N -2 3 398.225 3.956 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1cc(Cl)c(F)cc1F ZINC001260196108 1045407683 /nfs/dbraw/zinc/40/76/83/1045407683.db2.gz SZCBRGHLLOCAEE-UHFFFAOYSA-N -2 3 376.793 3.734 20 0 GHADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccc([O-])cc1 ZINC001260560628 1045550593 /nfs/dbraw/zinc/55/05/93/1045550593.db2.gz CWEKQQFEAYEPLN-UHFFFAOYSA-N -2 3 394.663 3.514 20 0 GHADHL CCn1cc2cc([N-]S(=O)(=O)c3cc(Cl)c([O-])c(Cl)c3)ccc2n1 ZINC001260876084 1045732804 /nfs/dbraw/zinc/73/28/04/1045732804.db2.gz PBIOWTQVHQUJEX-UHFFFAOYSA-N -2 3 386.260 3.869 20 0 GHADHL CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507136 599359803 /nfs/dbraw/zinc/35/98/03/599359803.db2.gz AQKPGZZOIJUYLZ-NSHDSACASA-N -2 3 394.460 3.520 20 0 GHADHL CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507136 599359806 /nfs/dbraw/zinc/35/98/06/599359806.db2.gz AQKPGZZOIJUYLZ-NSHDSACASA-N -2 3 394.460 3.520 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1Oc1cccnc1 ZINC000477412868 599907051 /nfs/dbraw/zinc/90/70/51/599907051.db2.gz HWVYQKOXRCLWLW-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1C(=O)[O-] ZINC000438751820 600686162 /nfs/dbraw/zinc/68/61/62/600686162.db2.gz JNKCFTLDKHICAR-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000740075301 600893934 /nfs/dbraw/zinc/89/39/34/600893934.db2.gz IQCVQEZDIBIVJZ-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL COc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000737878501 601112193 /nfs/dbraw/zinc/11/21/93/601112193.db2.gz KUDXGWKLGUQBCS-WEVVVXLNSA-N -2 3 378.384 3.638 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c(Cl)cc1F ZINC000832903724 602112181 /nfs/dbraw/zinc/11/21/81/602112181.db2.gz PUNATEWQWFBFMB-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000740712864 602645616 /nfs/dbraw/zinc/64/56/16/602645616.db2.gz DDRPMJRVTFSHEB-UHFFFAOYSA-N -2 3 390.339 3.518 20 0 GHADHL C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000825288730 604221550 /nfs/dbraw/zinc/22/15/50/604221550.db2.gz RZAJPHCWKAFSQE-CQSZACIVSA-N -2 3 384.432 3.693 20 0 GHADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])cc1 ZINC000833654169 605182197 /nfs/dbraw/zinc/18/21/97/605182197.db2.gz FHKJNZRDNLLQTO-UHFFFAOYSA-N -2 3 399.472 3.580 20 0 GHADHL O=C([O-])N1CC[C@@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000834053705 605768225 /nfs/dbraw/zinc/76/82/25/605768225.db2.gz AAXXUUIXHYYZLI-LLVKDONJSA-N -2 3 383.429 3.607 20 0 GHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1C(=O)[O-] ZINC000547921039 837573740 /nfs/dbraw/zinc/57/37/40/837573740.db2.gz BJLNRTSYHWBHHE-UHFFFAOYSA-N -2 3 393.314 3.532 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)c(C)c1C(=O)[O-] ZINC000512725144 845198974 /nfs/dbraw/zinc/19/89/74/845198974.db2.gz KBBRFXIMOWDSKH-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL CCc1ccc([C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])cc1 ZINC000548537675 845414480 /nfs/dbraw/zinc/41/44/80/845414480.db2.gz HIXZUTDAQJTDKC-LBPRGKRZSA-N -2 3 394.301 3.722 20 0 GHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000504666224 850223016 /nfs/dbraw/zinc/22/30/16/850223016.db2.gz QGCXPGWEJTWGOZ-ZDUSSCGKSA-N -2 3 395.502 3.840 20 0 GHADHL COc1cc(-c2ccccc2)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504734571 850262997 /nfs/dbraw/zinc/26/29/97/850262997.db2.gz ZMZUZHGYJZJRAL-ZHACJKMWSA-N -2 3 376.412 3.964 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000515652259 851312609 /nfs/dbraw/zinc/31/26/09/851312609.db2.gz GLRSOKCKYFVQCG-UHFFFAOYSA-N -2 3 377.462 3.844 20 0 GHADHL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])cc21 ZINC000436475579 851963797 /nfs/dbraw/zinc/96/37/97/851963797.db2.gz GSSUUPLJNANIQL-UHFFFAOYSA-N -2 3 385.367 3.581 20 0 GHADHL COC(=O)c1cccc2[n-]c(NC(=O)c3c([O-])cc(Cl)cc3Cl)nc21 ZINC000436728520 852268423 /nfs/dbraw/zinc/26/84/23/852268423.db2.gz AQAMNYJEBCSHDG-UHFFFAOYSA-N -2 3 380.187 3.614 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1C(=O)[O-] ZINC000440832360 853665471 /nfs/dbraw/zinc/66/54/71/853665471.db2.gz PENAKSUUFSLQTN-UHFFFAOYSA-N -2 3 377.462 3.673 20 0 GHADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000519993935 853708391 /nfs/dbraw/zinc/70/83/91/853708391.db2.gz BZTGVKLBICZZIW-UHFFFAOYSA-N -2 3 383.425 3.765 20 0 GHADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000508239615 857110572 /nfs/dbraw/zinc/11/05/72/857110572.db2.gz UJYJEAHNZZUWLW-UHFFFAOYSA-N -2 3 384.404 3.593 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(C)c1CC(=O)[O-] ZINC000326850200 858724283 /nfs/dbraw/zinc/72/42/83/858724283.db2.gz PRCBCWUNYRNRKE-UHFFFAOYSA-N -2 3 385.844 3.832 20 0 GHADHL COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)c2)cn1 ZINC000509376625 859227047 /nfs/dbraw/zinc/22/70/47/859227047.db2.gz SKKQITQRZGYQNS-UHFFFAOYSA-N -2 3 398.440 3.565 20 0 GHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)c1C ZINC000603681006 861033840 /nfs/dbraw/zinc/03/38/40/861033840.db2.gz POYHJNHYYWYVTR-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000523590465 867591646 /nfs/dbraw/zinc/59/16/46/867591646.db2.gz MEKYEJCAKPJMBM-UHFFFAOYSA-N -2 3 377.462 3.656 20 0 GHADHL CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3C)cc2O1 ZINC000793429319 882181743 /nfs/dbraw/zinc/18/17/43/882181743.db2.gz PRIKIRIAEXUIIG-GOSISDBHSA-N -2 3 395.408 3.531 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000793443123 882186652 /nfs/dbraw/zinc/18/66/52/882186652.db2.gz LNEJLCHIFBQKCS-UHFFFAOYSA-N -2 3 390.392 3.597 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)C2CCC2)c(F)cc1F ZINC001195258958 872288762 /nfs/dbraw/zinc/28/87/62/872288762.db2.gz VUGGIJHITVBAFA-QGZVFWFLSA-N -2 3 399.390 3.622 20 0 GHADHL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cc(O)ccc3F)cc2)c1 ZINC001196096773 872877547 /nfs/dbraw/zinc/87/75/47/872877547.db2.gz PNSSOMPXIDFEOD-UHFFFAOYSA-N -2 3 387.388 3.697 20 0 GHADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(Cl)c2)sc1Cl ZINC000530541411 877994614 /nfs/dbraw/zinc/99/46/14/877994614.db2.gz BNDJFLUUAUGHSZ-LLVKDONJSA-N -2 3 394.301 3.858 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1Br ZINC000071848735 885281692 /nfs/dbraw/zinc/28/16/92/885281692.db2.gz FZNABTRZHZVHAN-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CCC(=O)[O-])Cc3ccccc3)nc2)n1 ZINC000263560548 892594668 /nfs/dbraw/zinc/59/46/68/892594668.db2.gz REJKATXCTSBKHX-GOSISDBHSA-N -2 3 392.459 3.695 20 0 GHADHL O=C([O-])c1nc(C=Cc2cccc(-c3nnn[n-]3)c2)sc1-c1ccccc1 ZINC000826462481 900682499 /nfs/dbraw/zinc/68/24/99/900682499.db2.gz ZEZYFNHQOUFISC-KTKRTIGZSA-N -2 3 375.413 3.859 20 0 GHADHL O=C([O-])c1nc(C=Cc2cccc(-c3nn[n-]n3)c2)sc1-c1ccccc1 ZINC000826462481 900682505 /nfs/dbraw/zinc/68/25/05/900682505.db2.gz ZEZYFNHQOUFISC-KTKRTIGZSA-N -2 3 375.413 3.859 20 0 GHADHL CC(=O)c1ccc(Nc2ccc3c([O-])cc(S(=O)(=O)[O-])cc3c2)cc1F ZINC001175234733 907446023 /nfs/dbraw/zinc/44/60/23/907446023.db2.gz YFPHFRKURIVNLR-UHFFFAOYSA-N -2 3 375.377 3.877 20 0 GHADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000681571416 925853046 /nfs/dbraw/zinc/85/30/46/925853046.db2.gz BWCULMSBFMAJQA-SNVBAGLBSA-N -2 3 394.301 3.592 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cs1 ZINC000320503010 970671067 /nfs/dbraw/zinc/67/10/67/970671067.db2.gz XFGRYBPKLVGDFM-UHFFFAOYSA-N -2 3 385.772 3.919 20 0 GHADHL Cc1cccc([C@@H](NCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C(=O)[O-])c1 ZINC001605329819 973203392 /nfs/dbraw/zinc/20/33/92/973203392.db2.gz LJRPYAGRSOCUNK-QGZVFWFLSA-N -2 3 395.440 3.881 20 0 GHADHL C[C@@](CC(=O)[O-])(NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1cccnc1 ZINC001592303892 977660755 /nfs/dbraw/zinc/66/07/55/977660755.db2.gz NUHAFVYISCMGKH-QFIPXVFZSA-N -2 3 392.411 3.699 20 0 GHADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CCC1 ZINC001595641120 981965741 /nfs/dbraw/zinc/96/57/41/981965741.db2.gz RGGOXPGKBXYYTR-AWEZNQCLSA-N -2 3 377.865 3.815 20 0 GHADHL CC(C)(C)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001589727976 987926386 /nfs/dbraw/zinc/92/63/86/987926386.db2.gz DEWMMKFIRHTFHU-NEPJUHHUSA-N -2 3 377.865 3.670 20 0 GHADHL COCOc1ccc(CCC(=O)[O-])cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC001599275046 998598070 /nfs/dbraw/zinc/59/80/70/998598070.db2.gz BFZSWWMPNAEYMO-UHFFFAOYSA-N -2 3 399.443 3.523 20 0 GHADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000576477950 1020019475 /nfs/dbraw/zinc/01/94/75/1020019475.db2.gz JRKFGXSKMDFSCP-ZYHUDNBSSA-N -2 3 380.293 3.695 20 0 GHADHL CCOc1cccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1 ZINC001215471054 1029225633 /nfs/dbraw/zinc/22/56/33/1029225633.db2.gz OAEHWVDXAAQYLP-UHFFFAOYSA-N -2 3 377.194 3.976 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@@H]2CCOC[C@H]2C)cc1 ZINC001229672741 1033631817 /nfs/dbraw/zinc/63/18/17/1033631817.db2.gz WAWZEHAFQXAXSQ-SJKOYZFVSA-N -2 3 398.411 3.684 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OCC[C@H](C)OC)cc1 ZINC001229671747 1033632709 /nfs/dbraw/zinc/63/27/09/1033632709.db2.gz MFJPTIYYBYNDCT-LBPRGKRZSA-N -2 3 386.400 3.684 20 0 GHADHL O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(-c2cccc([O-])c2F)nc1 ZINC001243544306 1036203883 /nfs/dbraw/zinc/20/38/83/1036203883.db2.gz PNNGZORFILFPJT-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1ccccc1-c1ccno1 ZINC001256589032 1043557360 /nfs/dbraw/zinc/55/73/60/1043557360.db2.gz XOIXNYXFQGOXBY-UHFFFAOYSA-N -2 3 395.234 3.611 20 0 GHADHL O=S(=O)([N-]c1cc(Br)c(C(F)(F)F)cc1[O-])C1CCCC1 ZINC001259802826 1045308859 /nfs/dbraw/zinc/30/88/59/1045308859.db2.gz VPWMGSNIWSMBIR-UHFFFAOYSA-N -2 3 388.205 3.858 20 0 GHADHL COc1cccc(-c2cccc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)c2)c1 ZINC001260399004 1045487393 /nfs/dbraw/zinc/48/73/93/1045487393.db2.gz MTGKKSDSXRKLLC-UHFFFAOYSA-N -2 3 399.424 3.567 20 0 GHADHL Cc1nc(Cl)c([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)nc1C ZINC001260869218 1045727202 /nfs/dbraw/zinc/72/72/02/1045727202.db2.gz GQDUNMVQCKPIBP-UHFFFAOYSA-N -2 3 382.656 3.560 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc(C)c1Br ZINC000389339975 1047425463 /nfs/dbraw/zinc/42/54/63/1047425463.db2.gz IZBJMWVLOWHZBP-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL CCC(CC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001290074096 1049723213 /nfs/dbraw/zinc/72/32/13/1049723213.db2.gz WBNQIYQHHBNLEJ-UHFFFAOYSA-N -2 3 396.896 3.765 20 0 GHADHL CC(=O)N(c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1)[C@H]1C[C@H]1C ZINC000556267056 452921491 /nfs/dbraw/zinc/92/14/91/452921491.db2.gz WDYCWWPQPZBXOI-BZNIZROVSA-N -2 3 394.880 3.608 20 0 GHADHL O=C([O-])c1ccccc1COc1cccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000738213818 598585819 /nfs/dbraw/zinc/58/58/19/598585819.db2.gz HUAVTMQMVJYWAO-CSKARUKUSA-N -2 3 399.410 3.709 20 0 GHADHL O=C([O-])c1ccccc1COc1cccc(C=Cc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000738213818 598585821 /nfs/dbraw/zinc/58/58/21/598585821.db2.gz HUAVTMQMVJYWAO-CSKARUKUSA-N -2 3 399.410 3.709 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Sc2ccccc2)o1 ZINC000740177149 599780575 /nfs/dbraw/zinc/78/05/75/599780575.db2.gz HLTGZGRSOISDDA-UHFFFAOYSA-N -2 3 389.454 3.608 20 0 GHADHL Cc1nc(-c2ccc(NC(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2)cc(=O)[n-]1 ZINC000738830089 600330848 /nfs/dbraw/zinc/33/08/48/600330848.db2.gz VOGSSEZPZVYGJJ-UHFFFAOYSA-N -2 3 393.403 3.569 20 0 GHADHL CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000736296657 600416232 /nfs/dbraw/zinc/41/62/32/600416232.db2.gz FMCPRLYPHHEXOA-GOSISDBHSA-N -2 3 392.455 3.771 20 0 GHADHL O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000740019301 600448342 /nfs/dbraw/zinc/44/83/42/600448342.db2.gz COZTXSMIKLQKEW-UHFFFAOYSA-N -2 3 389.260 3.604 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000055578476 600542505 /nfs/dbraw/zinc/54/25/05/600542505.db2.gz YQERARBZZZRACB-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(F)(F)F)cs1 ZINC000833302535 600758222 /nfs/dbraw/zinc/75/82/22/600758222.db2.gz MOLWSYFCFQHRIO-NSHDSACASA-N -2 3 399.799 3.682 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)ccc1C(=O)[O-] ZINC000327717758 600886162 /nfs/dbraw/zinc/88/61/62/600886162.db2.gz FIFQIABXRUKEAL-UHFFFAOYSA-N -2 3 391.779 3.749 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1Oc1cccnc1 ZINC000506728598 600890268 /nfs/dbraw/zinc/89/02/68/600890268.db2.gz XQLIABVULDVOOF-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000476284107 601320253 /nfs/dbraw/zinc/32/02/53/601320253.db2.gz HSZPZRSFHSSNMW-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(C)c1 ZINC000829538034 601326114 /nfs/dbraw/zinc/32/61/14/601326114.db2.gz RZGWEOLUBOKCID-WDZFZDKYSA-N -2 3 375.446 3.682 20 0 GHADHL Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000476424999 601334853 /nfs/dbraw/zinc/33/48/53/601334853.db2.gz ASAOXIMHYJVTAS-UHFFFAOYSA-N -2 3 377.462 3.809 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000674646928 601785286 /nfs/dbraw/zinc/78/52/86/601785286.db2.gz RJBXTIDDQFUXCI-UHFFFAOYSA-N -2 3 393.461 3.509 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2F)c1Cl ZINC000548193560 601810064 /nfs/dbraw/zinc/81/00/64/601810064.db2.gz SSPQMGLIPPPAJR-ZDUSSCGKSA-N -2 3 392.235 3.545 20 0 GHADHL Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000832990878 601883531 /nfs/dbraw/zinc/88/35/31/601883531.db2.gz GEJKWQCPFDMZEU-SJORKVTESA-N -2 3 398.463 3.703 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832855866 602148721 /nfs/dbraw/zinc/14/87/21/602148721.db2.gz GIRMOJWIVRAFDM-OAHLLOKOSA-N -2 3 395.383 3.514 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1Br ZINC000830420948 603399876 /nfs/dbraw/zinc/39/98/76/603399876.db2.gz GUKDOWTUPHNUIL-UHFFFAOYSA-N -2 3 385.239 3.648 20 0 GHADHL CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000109767017 836586423 /nfs/dbraw/zinc/58/64/23/836586423.db2.gz COHWPDPXFHMJFE-UHFFFAOYSA-N -2 3 397.880 3.947 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(Cl)c(Br)c1 ZINC000432061030 840575137 /nfs/dbraw/zinc/57/51/37/840575137.db2.gz HLIGJWLCMZKNJP-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2c([O-])cc(Br)cc2Cl)c1 ZINC000647696874 841063288 /nfs/dbraw/zinc/06/32/88/841063288.db2.gz PHIYNXZTNUDTMH-UHFFFAOYSA-N -2 3 399.628 3.724 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1C(C)C ZINC000432755796 843721056 /nfs/dbraw/zinc/72/10/56/843721056.db2.gz FAWSIDYHPAVRLQ-UHFFFAOYSA-N -2 3 377.462 3.934 20 0 GHADHL CSc1cc(Br)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504733082 850261669 /nfs/dbraw/zinc/26/16/69/850261669.db2.gz SZMPGXMTQAYVDA-GQCTYLIASA-N -2 3 395.278 3.773 20 0 GHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000031668808 850469381 /nfs/dbraw/zinc/46/93/81/850469381.db2.gz ASRNLNGAFAZHON-UHFFFAOYSA-N -2 3 389.401 3.514 20 0 GHADHL Cc1csc2nc(-c3ccc([O-])c(I)c3)[n-]c(=O)c12 ZINC000436564179 852067840 /nfs/dbraw/zinc/06/78/40/852067840.db2.gz PPCAWRUTMCTUNJ-UHFFFAOYSA-N -2 3 384.198 3.683 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1OCC(F)F ZINC000588631613 854309713 /nfs/dbraw/zinc/30/97/13/854309713.db2.gz FVXLJRQICFQJLI-UHFFFAOYSA-N -2 3 399.415 3.755 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c(C)c1OCC(=O)[O-] ZINC000499493940 856915578 /nfs/dbraw/zinc/91/55/78/856915578.db2.gz JWHWIUGIAABKIA-UHFFFAOYSA-N -2 3 393.436 3.584 20 0 GHADHL CCn1cc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)cc1C(=O)[O-] ZINC000479298043 858921951 /nfs/dbraw/zinc/92/19/51/858921951.db2.gz TVKIFCAVHWSBRV-UHFFFAOYSA-N -2 3 399.881 3.579 20 0 GHADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)cc1 ZINC000509629023 860128328 /nfs/dbraw/zinc/12/83/28/860128328.db2.gz PONDSUGRRICYDD-UHFFFAOYSA-N -2 3 397.880 3.947 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1Cl ZINC000327580292 860325685 /nfs/dbraw/zinc/32/56/85/860325685.db2.gz AOEUYMHMDKZAFU-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)[O-] ZINC000614732423 864249187 /nfs/dbraw/zinc/24/91/87/864249187.db2.gz MNJGJFXWMODWQA-UHFFFAOYSA-N -2 3 399.424 3.987 20 0 GHADHL Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000480221889 864290106 /nfs/dbraw/zinc/29/01/06/864290106.db2.gz JBCAUWNZRRFUDR-UHFFFAOYSA-N -2 3 378.194 3.542 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)cc1C(=O)[O-] ZINC000479575240 868109376 /nfs/dbraw/zinc/10/93/76/868109376.db2.gz GEUBBKLJLGVDLL-UHFFFAOYSA-N -2 3 375.402 3.639 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1-c1ncco1 ZINC000156364283 868340065 /nfs/dbraw/zinc/34/00/65/868340065.db2.gz OAYXHXKHSIEIFU-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(C(C)C)c2)cc1C(=O)[O-] ZINC001192647843 870553950 /nfs/dbraw/zinc/55/39/50/870553950.db2.gz ATEGUFXFVHYKAI-UHFFFAOYSA-N -2 3 393.461 3.716 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)(C)C)cc1C(=O)[O-] ZINC001192649239 870555761 /nfs/dbraw/zinc/55/57/61/870555761.db2.gz USZSKBPMRKNUHH-UHFFFAOYSA-N -2 3 377.462 3.882 20 0 GHADHL Cc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1F ZINC001194011484 871431744 /nfs/dbraw/zinc/43/17/44/871431744.db2.gz GBRQVKGWOHAWFZ-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1F ZINC000327809661 873026193 /nfs/dbraw/zinc/02/61/93/873026193.db2.gz HRPJNRWEGBREHZ-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000768055456 873038512 /nfs/dbraw/zinc/03/85/12/873038512.db2.gz KXIOXJDIRZXXKW-UHFFFAOYSA-N -2 3 382.800 3.542 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)ccc1OC(C)C ZINC000541808007 874327564 /nfs/dbraw/zinc/32/75/64/874327564.db2.gz ZTFVBOPAFLSGRY-OAHLLOKOSA-N -2 3 391.489 3.846 20 0 GHADHL O=C(Nc1ccc([O-])c(C(=O)Nc2ccc(F)cc2[O-])c1)OCC(F)(F)F ZINC000770132174 874484442 /nfs/dbraw/zinc/48/44/42/874484442.db2.gz OGLZPRUGZMVKGQ-UHFFFAOYSA-N -2 3 388.273 3.600 20 0 GHADHL O=C([O-])c1ccccc1OCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000194399262 883803273 /nfs/dbraw/zinc/80/32/73/883803273.db2.gz MGARHRIHKFJRQV-UHFFFAOYSA-N -2 3 378.409 3.929 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(F)(F)F)cc1C(=O)[O-] ZINC001184653266 913344260 /nfs/dbraw/zinc/34/42/60/913344260.db2.gz LITKBPPKRSBTRB-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(O)cc3)cc2)cc1C(=O)[O-] ZINC001184695740 913362137 /nfs/dbraw/zinc/36/21/37/913362137.db2.gz GBCNCKQKFNBNBJ-UHFFFAOYSA-N -2 3 383.425 3.867 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(C)(C)O3)cc1C(=O)[O-] ZINC001184704507 913370709 /nfs/dbraw/zinc/37/07/09/913370709.db2.gz ZHVHRELLOMBAIG-UHFFFAOYSA-N -2 3 375.446 3.598 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cccc(O)c3)cc2)cc1C(=O)[O-] ZINC001185314999 913802316 /nfs/dbraw/zinc/80/23/16/913802316.db2.gz UEENLAIMHMYRDW-UHFFFAOYSA-N -2 3 399.424 3.567 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1Cl ZINC001185877147 914171576 /nfs/dbraw/zinc/17/15/76/914171576.db2.gz ASUAWUHLINCTAV-UHFFFAOYSA-N -2 3 394.758 3.561 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2F)ccc1F ZINC001186189171 914350541 /nfs/dbraw/zinc/35/05/41/914350541.db2.gz WJARSTHDZMKMFD-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)[N-]c3cncc([O-])c3)c2o1 ZINC001188170940 915792217 /nfs/dbraw/zinc/79/22/17/915792217.db2.gz QUVNTCJHSQZWNI-UHFFFAOYSA-N -2 3 381.841 3.680 20 0 GHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000544647124 929385334 /nfs/dbraw/zinc/38/53/34/929385334.db2.gz GVCSHYKFCNIZBM-AWEZNQCLSA-N -2 3 377.462 3.538 20 0 GHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000544647125 929385645 /nfs/dbraw/zinc/38/56/45/929385645.db2.gz GVCSHYKFCNIZBM-CQSZACIVSA-N -2 3 377.462 3.538 20 0 GHADHL CCOc1ccccc1N=c1[n-]nc(S[C@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000469804451 930171872 /nfs/dbraw/zinc/17/18/72/930171872.db2.gz ODYKIVUPRRJMDV-LLVKDONJSA-N -2 3 389.506 3.760 20 0 GHADHL Cc1ccc(CSc2nc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)n[n-]2)cc1 ZINC001594363002 958471022 /nfs/dbraw/zinc/47/10/22/958471022.db2.gz ZAYLJUHOHXBXGN-UHFFFAOYSA-N -2 3 382.445 3.664 20 0 GHADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC001595687348 982179491 /nfs/dbraw/zinc/17/94/91/982179491.db2.gz PSLJLBVHPQNBJP-LLVKDONJSA-N -2 3 387.807 3.671 20 0 GHADHL CCc1cccc(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)c1[O-] ZINC001597576596 988368108 /nfs/dbraw/zinc/36/81/08/988368108.db2.gz QKLZEGPABOADOJ-UHFFFAOYSA-N -2 3 382.441 3.958 20 0 GHADHL CCOc1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc(Cl)c1[O-] ZINC000545150121 1015587572 /nfs/dbraw/zinc/58/75/72/1015587572.db2.gz IPXMTRYMMVLYCO-UHFFFAOYSA-N -2 3 393.777 3.787 20 0 GHADHL CC(C)[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2C1 ZINC001590974601 991113525 /nfs/dbraw/zinc/11/35/25/991113525.db2.gz UJKPIUBBWOWSQR-CQSZACIVSA-N -2 3 388.489 3.546 20 0 GHADHL COc1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c(C(=O)[O-])c1 ZINC001599593798 993723258 /nfs/dbraw/zinc/72/32/58/993723258.db2.gz LSETTXMUOUHDGK-UHFFFAOYSA-N -2 3 377.396 3.942 20 0 GHADHL C[C@](NC(=O)c1cc([O-])ccc1Cl)(C(=O)[O-])c1cccc(Br)c1 ZINC001593156251 993973315 /nfs/dbraw/zinc/97/33/15/993973315.db2.gz QNRFYDQDEJTYFC-MRXNPFEDSA-N -2 3 398.640 3.538 20 0 GHADHL CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)c2O1 ZINC001593965446 997107105 /nfs/dbraw/zinc/10/71/05/997107105.db2.gz YJESPTMJVURSGZ-UHFFFAOYSA-N -2 3 399.827 3.692 20 0 GHADHL COc1ccc([C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C(=O)[O-])cc1 ZINC001599524843 997541072 /nfs/dbraw/zinc/54/10/72/997541072.db2.gz NBVPDWORYNFUOX-OAQYLSRUSA-N -2 3 391.423 3.547 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)o1 ZINC000569932088 1019539485 /nfs/dbraw/zinc/53/94/85/1019539485.db2.gz VUWZLDXLZFHKDC-CYBMUJFWSA-N -2 3 392.260 3.779 20 0 GHADHL CC(=O)c1ccccc1-c1noc(-c2cc([O-])c(Br)c([O-])c2)n1 ZINC001215473270 1029228912 /nfs/dbraw/zinc/22/89/12/1029228912.db2.gz GEYOYJLAMHMDNJ-UHFFFAOYSA-N -2 3 375.178 3.780 20 0 GHADHL O=C(Nc1ccc(I)cc1[O-])c1ccc(Cl)c([O-])c1 ZINC001154104622 1031928494 /nfs/dbraw/zinc/92/84/94/1031928494.db2.gz TVZWANUCBFBPOF-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL CC[C@@H](COc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(OC)cc1)OC ZINC001229670341 1033630983 /nfs/dbraw/zinc/63/09/83/1033630983.db2.gz BJKCPKDKUBNLSG-AWEZNQCLSA-N -2 3 386.400 3.684 20 0 GHADHL COC(=O)[C@@H]1CCC[C@@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001229774755 1033704099 /nfs/dbraw/zinc/70/40/99/1033704099.db2.gz UVVHEHGPSVGFNV-ZBFHGGJFSA-N -2 3 396.395 3.592 20 0 GHADHL O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(-c2cc([O-])cc(F)c2)nc1 ZINC001241262059 1035545196 /nfs/dbraw/zinc/54/51/96/1035545196.db2.gz VOFJYWMFRREEMF-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(cccc3S(=O)(=O)[O-])c2)c(C)c1 ZINC001259101294 1044962100 /nfs/dbraw/zinc/96/21/00/1044962100.db2.gz ZFPZJSHWMCGNOL-UHFFFAOYSA-N -2 3 391.470 3.504 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)c(F)cc1Cl ZINC001259222440 1045018802 /nfs/dbraw/zinc/01/88/02/1045018802.db2.gz SWVUESNNKREIPD-UHFFFAOYSA-N -2 3 393.823 3.809 20 0 GHADHL O=C(Nc1ncccc1[O-])c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001296270217 1045291581 /nfs/dbraw/zinc/29/15/81/1045291581.db2.gz ACHFKOZVURPDJK-UHFFFAOYSA-N -2 3 398.728 3.603 20 0 GHADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2OC(F)(F)F)c1 ZINC001260189938 1045405180 /nfs/dbraw/zinc/40/51/80/1045405180.db2.gz QIFRDPXUSCQIMQ-UHFFFAOYSA-N -2 3 395.742 3.738 20 0 GHADHL CC[C@@H](C)S(=O)(=O)[N-]c1c([O-])c(C(C)=O)ccc1OCc1ccccc1 ZINC001260744434 1045636240 /nfs/dbraw/zinc/63/62/40/1045636240.db2.gz XUYHTMTYPVDRHL-CYBMUJFWSA-N -2 3 377.462 3.714 20 0 GHADHL O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-]c1nc2c(cccc2[O-])s1 ZINC001260888750 1045743499 /nfs/dbraw/zinc/74/34/99/1045743499.db2.gz OYVQEWMAYONBKE-UHFFFAOYSA-N -2 3 388.392 3.963 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1C(F)(F)F ZINC000436480044 450602452 /nfs/dbraw/zinc/60/24/52/450602452.db2.gz YQBPHVLJGUCWCC-UHFFFAOYSA-N -3 3 395.742 3.563 20 0 GHADHL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000550107042 452920981 /nfs/dbraw/zinc/92/09/81/452920981.db2.gz MVCUCWMSYLGABU-UHFFFAOYSA-N -2 3 376.659 3.917 20 0 GHADHL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000740001728 600301367 /nfs/dbraw/zinc/30/13/67/600301367.db2.gz OJIOCKMGZJBBFB-UHFFFAOYSA-N -2 3 390.461 3.576 20 0 GHADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c1C ZINC000738356300 600489162 /nfs/dbraw/zinc/48/91/62/600489162.db2.gz UTNXSAWICRURMQ-UHFFFAOYSA-N -2 3 391.489 3.965 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3NC(=O)[O-])c2)n1 ZINC000737251696 600571773 /nfs/dbraw/zinc/57/17/73/600571773.db2.gz XFYXQAUVMMQWMT-UHFFFAOYSA-N -2 3 378.388 3.754 20 0 GHADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)cc2)nc1 ZINC000738649324 600629514 /nfs/dbraw/zinc/62/95/14/600629514.db2.gz OICMQHVSFLXVFU-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1 ZINC000833297535 600982002 /nfs/dbraw/zinc/98/20/02/600982002.db2.gz QIUMKHBFNPPRRP-UHFFFAOYSA-N -2 3 394.880 3.829 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(SC)c(Cl)c2)cc1C(=O)[O-] ZINC000476413829 601334834 /nfs/dbraw/zinc/33/48/34/601334834.db2.gz JZOBFIYYKAIMTG-UHFFFAOYSA-N -2 3 387.866 3.570 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000674648513 601785085 /nfs/dbraw/zinc/78/50/85/601785085.db2.gz NHTXSFKORUIKCY-UHFFFAOYSA-N -2 3 377.462 3.809 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(C)c1 ZINC000751145927 601836532 /nfs/dbraw/zinc/83/65/32/601836532.db2.gz MKDSCOMHZRLYCA-UHFFFAOYSA-N -2 3 385.388 3.561 20 0 GHADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)c1C(=O)[O-] ZINC000832972604 602169235 /nfs/dbraw/zinc/16/92/35/602169235.db2.gz HUKNPDPWZAMARD-UHFFFAOYSA-N -2 3 385.445 3.638 20 0 GHADHL Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(C(=O)[O-])c(F)c3)nc(=O)c2c1C ZINC000833036267 604855343 /nfs/dbraw/zinc/85/53/43/604855343.db2.gz GEVLDHPGDKIMBS-QMMMGPOBSA-N -2 3 390.392 3.769 20 0 GHADHL O=C([O-])[C@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000579982178 838254638 /nfs/dbraw/zinc/25/46/38/838254638.db2.gz PVVDKLBPOGIREN-AWEZNQCLSA-N -2 3 395.889 3.529 20 0 GHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000512572912 844623754 /nfs/dbraw/zinc/62/37/54/844623754.db2.gz NQHGLCPYVKPKDV-UHFFFAOYSA-N -2 3 395.436 3.522 20 0 GHADHL CC(C)(C(=O)[O-])n1cc([N-]c2nnc(Cc3ccc(Cl)cc3)s2)cn1 ZINC000662896487 841926240 /nfs/dbraw/zinc/92/62/40/841926240.db2.gz XXADBKAXGZXDCX-UHFFFAOYSA-N -2 3 377.857 3.542 20 0 GHADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000548290739 842428555 /nfs/dbraw/zinc/42/85/55/842428555.db2.gz DVOHUTMPIODTII-QMMMGPOBSA-N -2 3 387.807 3.527 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CC3(F)F)cc2)cc1C(=O)[O-] ZINC000663260746 842944192 /nfs/dbraw/zinc/94/41/92/842944192.db2.gz CVJXONMJLIVZJJ-MRXNPFEDSA-N -2 3 397.399 3.534 20 0 GHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000548534380 845398148 /nfs/dbraw/zinc/39/81/48/845398148.db2.gz SKQUJYAAASBXBS-UHFFFAOYSA-N -2 3 391.342 3.960 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2C)c(C)c1CC(=O)[O-] ZINC000414417370 846654269 /nfs/dbraw/zinc/65/42/69/846654269.db2.gz XLBSDHVZMSJSNW-UHFFFAOYSA-N -2 3 383.416 3.626 20 0 GHADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1csc(=NC2CC2)[n-]1 ZINC000426632327 851046630 /nfs/dbraw/zinc/04/66/30/851046630.db2.gz UZUXVQHFMWDSHI-UHFFFAOYSA-N -2 3 388.674 3.513 20 0 GHADHL CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000516785920 852998906 /nfs/dbraw/zinc/99/89/06/852998906.db2.gz CDIHZPPFDIVYKN-UHFFFAOYSA-N -2 3 381.425 3.894 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)c(C)c1 ZINC000068076139 854547131 /nfs/dbraw/zinc/54/71/31/854547131.db2.gz YQHDALUHQRENFR-UHFFFAOYSA-N -2 3 393.461 3.682 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(Cl)ccc1Br ZINC000485393111 856454379 /nfs/dbraw/zinc/45/43/79/856454379.db2.gz YQIIPRCFTZSJLJ-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)[O-] ZINC000063476267 857621575 /nfs/dbraw/zinc/62/15/75/857621575.db2.gz MZVPSBMDNSOJCL-UHFFFAOYSA-N -2 3 377.462 3.557 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1C(=O)[O-] ZINC000064938270 857755830 /nfs/dbraw/zinc/75/58/30/857755830.db2.gz MCMDMTWTUKRAQN-UHFFFAOYSA-N -2 3 389.473 3.729 20 0 GHADHL CSCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000609015835 865890611 /nfs/dbraw/zinc/89/06/11/865890611.db2.gz JUOHSRGZCYSONY-UHFFFAOYSA-N -2 3 379.503 3.708 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c(C)cc1C ZINC000478687200 866502018 /nfs/dbraw/zinc/50/20/18/866502018.db2.gz RPZCCWBORBHVNV-UHFFFAOYSA-N -2 3 391.489 3.665 20 0 GHADHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000523871477 868179619 /nfs/dbraw/zinc/17/96/19/868179619.db2.gz OADJDYIWMKKEAN-UHFFFAOYSA-N -2 3 377.462 3.656 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000793402226 882177586 /nfs/dbraw/zinc/17/75/86/882177586.db2.gz WFGCYTIBQZQJMM-UHFFFAOYSA-N -2 3 391.342 3.738 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(Cl)cc2C)cc1C(=O)[O-] ZINC001192648359 870554558 /nfs/dbraw/zinc/55/45/58/870554558.db2.gz PFCSDIIISTXTOU-UHFFFAOYSA-N -2 3 383.853 3.855 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)cc1C(=O)[O-] ZINC001192648609 870555730 /nfs/dbraw/zinc/55/57/30/870555730.db2.gz CAVKVMHUJNFYCH-UHFFFAOYSA-N -2 3 398.440 3.646 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2CC)cc1C(=O)[O-] ZINC001192648899 870557057 /nfs/dbraw/zinc/55/70/57/870557057.db2.gz JEJPLGUXGUFPEO-UHFFFAOYSA-N -2 3 383.853 3.800 20 0 GHADHL CCC(CC)Oc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001192727268 870618784 /nfs/dbraw/zinc/61/87/84/870618784.db2.gz SELADYPRSRNLQE-UHFFFAOYSA-N -2 3 393.461 3.518 20 0 GHADHL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCO4)cc2)c1 ZINC001196096180 872876078 /nfs/dbraw/zinc/87/60/78/872876078.db2.gz BNFGSTLGXMDMMQ-UHFFFAOYSA-N -2 3 395.436 3.788 20 0 GHADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000542010772 874762215 /nfs/dbraw/zinc/76/22/15/874762215.db2.gz ABCLOFFCQGRODF-UHFFFAOYSA-N -2 3 389.473 3.632 20 0 GHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000542235717 875197084 /nfs/dbraw/zinc/19/70/84/875197084.db2.gz KQEJMOJBWILOSL-AWEZNQCLSA-N -2 3 377.462 3.854 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2Cl)cc1C(=O)[O-] ZINC001184660324 913349858 /nfs/dbraw/zinc/34/98/58/913349858.db2.gz ZASMDBWZVARVIX-UHFFFAOYSA-N -2 3 394.758 3.561 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCCC1 ZINC001185918268 914200886 /nfs/dbraw/zinc/20/08/86/914200886.db2.gz PMZCUAFFGGPMQO-UHFFFAOYSA-N -2 3 392.452 3.623 20 0 GHADHL CCOC(=O)C(=Cc1cccc(C(=O)[O-])c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000774114329 911403550 /nfs/dbraw/zinc/40/35/50/911403550.db2.gz ISZXOTZYDRRFHH-ZROIWOOFSA-N -2 3 398.440 3.816 20 0 GHADHL CCOC(=O)c1nc([C@@H](C)[N-]c2nc(-c3cc(Cl)cc(Cl)c3)no2)n[n-]1 ZINC001186990132 914960588 /nfs/dbraw/zinc/96/05/88/914960588.db2.gz RKAMKVQMYBUKFQ-SSDOTTSWSA-N -2 3 397.222 3.511 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccc(Cl)nc1Cl ZINC001187925214 915620745 /nfs/dbraw/zinc/62/07/45/915620745.db2.gz ITKSURYPMTYBON-UHFFFAOYSA-N -2 3 376.246 3.505 20 0 GHADHL O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc([O-])c(F)c1 ZINC000681037281 925702546 /nfs/dbraw/zinc/70/25/46/925702546.db2.gz FSQLNGIKYXHYOP-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc(C(=O)[O-])c1Cl ZINC000759095768 930271552 /nfs/dbraw/zinc/27/15/52/930271552.db2.gz SZKTYEIWEPXEPZ-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL Cc1nc(C=Cc2cccc(OCc3ccccc3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000470238686 930478471 /nfs/dbraw/zinc/47/84/71/930478471.db2.gz VRKYYTKHGPCTFO-KHPPLWFESA-N -2 3 376.412 3.867 20 0 GHADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCCC1 ZINC000547586344 931134007 /nfs/dbraw/zinc/13/40/07/931134007.db2.gz YACFFKHKZBQRMQ-UHFFFAOYSA-N -2 3 397.390 3.548 20 0 GHADHL CC(C)Oc1c([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000799125985 932884104 /nfs/dbraw/zinc/88/41/04/932884104.db2.gz WNHJVAYHNRJMKN-ZHACJKMWSA-N -2 3 379.409 3.724 20 0 GHADHL Cc1csc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)[n-]c(=O)c12 ZINC000560072976 933049006 /nfs/dbraw/zinc/04/90/06/933049006.db2.gz TUWHDQHINJXZKH-UHFFFAOYSA-N -2 3 388.250 3.920 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(NC(C)(C)C)cc2C(=O)[O-])cc1 ZINC000562095470 934692798 /nfs/dbraw/zinc/69/27/98/934692798.db2.gz BYINIZCIBCPODK-UHFFFAOYSA-N -2 3 380.441 3.844 20 0 GHADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCCCC23CCCC3)c1F ZINC000327792853 971425697 /nfs/dbraw/zinc/42/56/97/971425697.db2.gz CZNPLLIXDWREKZ-CQSZACIVSA-N -2 3 389.876 3.959 20 0 GHADHL CC[C@]1(C(=O)[O-])CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC001589606278 949278250 /nfs/dbraw/zinc/27/82/50/949278250.db2.gz HSOMPPHHHRNJSD-IBGZPJMESA-N -2 3 387.461 3.734 20 0 GHADHL C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)c3c[n-]c4ccccc4c3=O)sc2[C@H](C)O1 ZINC001589412184 954524127 /nfs/dbraw/zinc/52/41/27/954524127.db2.gz WQXVSPMGESBSFE-ZJUUUORDSA-N -2 3 398.440 3.562 20 0 GHADHL CC(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)c([O-])c1 ZINC001591942617 976471254 /nfs/dbraw/zinc/47/12/54/976471254.db2.gz VXGGOTFGJVRCFJ-MRXNPFEDSA-N -2 3 392.249 3.834 20 0 GHADHL CCCCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001595670693 982120321 /nfs/dbraw/zinc/12/03/21/982120321.db2.gz UCJBQQUENTUMDZ-VIFPVBQESA-N -2 3 396.278 3.534 20 0 GHADHL CC[C@H](C)[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)[O-] ZINC001594929029 982545113 /nfs/dbraw/zinc/54/51/13/982545113.db2.gz QBNONWPBRWTLIA-TVQRCGJNSA-N -2 3 392.868 3.766 20 0 GHADHL CCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ncc(C(=O)[O-])s1 ZINC001596164515 983527122 /nfs/dbraw/zinc/52/71/22/983527122.db2.gz RDQHRNDBMFPOAR-UHFFFAOYSA-N -2 3 396.468 3.999 20 0 GHADHL CCOc1ccc(C[C@@H](CNC(=O)c2ccc(C(C)C)cc2[O-])C(=O)[O-])cc1 ZINC001597089317 986670072 /nfs/dbraw/zinc/67/00/72/986670072.db2.gz QOPJKSRFRDHCFJ-KRWDZBQOSA-N -2 3 385.460 3.588 20 0 GHADHL CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001597256675 987258874 /nfs/dbraw/zinc/25/88/74/987258874.db2.gz MQHPGCVCSJMNTE-NXEZZACHSA-N -2 3 395.905 3.520 20 0 GHADHL CC(C)(C)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001589727977 987926074 /nfs/dbraw/zinc/92/60/74/987926074.db2.gz DEWMMKFIRHTFHU-NWDGAFQWSA-N -2 3 377.865 3.670 20 0 GHADHL CCc1ccc([O-])c(C(=O)N(C)[C@@H](C(=O)[O-])c2ccc(Br)s2)c1 ZINC001597557158 988294710 /nfs/dbraw/zinc/29/47/10/988294710.db2.gz ZGROLEYIUFHOMF-CQSZACIVSA-N -2 3 398.278 3.677 20 0 GHADHL CCc1cccc(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)c1[O-] ZINC001597576570 988366976 /nfs/dbraw/zinc/36/69/76/988366976.db2.gz PUOMBPCDDUNEJA-UHFFFAOYSA-N -2 3 382.441 3.952 20 0 GHADHL CC(C)(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)c1ccccc1 ZINC001590689407 990403788 /nfs/dbraw/zinc/40/37/88/990403788.db2.gz FKZMYQYBMKZNLE-UHFFFAOYSA-N -2 3 399.871 3.824 20 0 GHADHL C[C@@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)c1ccc(C(=O)[O-])o1 ZINC001593680206 996107012 /nfs/dbraw/zinc/10/70/12/996107012.db2.gz XHPVOLCGCYPQCS-LLVKDONJSA-N -2 3 396.428 3.725 20 0 GHADHL C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC001593719982 996247369 /nfs/dbraw/zinc/24/73/69/996247369.db2.gz JNHRKCKBCZVGIZ-CYBMUJFWSA-N -2 3 398.390 3.550 20 0 GHADHL COc1c(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cccc1C(=O)[O-] ZINC001599342222 997941283 /nfs/dbraw/zinc/94/12/83/997941283.db2.gz JDCFDGZYGMGZBC-UHFFFAOYSA-N -2 3 393.395 3.930 20 0 GHADHL C[C@H](COc1ccccc1)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228120992 1032796573 /nfs/dbraw/zinc/79/65/73/1032796573.db2.gz ZMRFZDHJGHKJKY-CQSZACIVSA-N -2 3 380.396 3.881 20 0 GHADHL CC1(C)C[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)CCO1 ZINC001225627667 1031517175 /nfs/dbraw/zinc/51/71/75/1031517175.db2.gz FELVVNLWWBIXGL-HNNXBMFYSA-N -2 3 398.411 3.913 20 0 GHADHL O=C([N-]C[C@H]1Cc2ccccc2N1Cc1cccc([O-])c1Cl)C(F)(F)F ZINC001206351237 1033808955 /nfs/dbraw/zinc/80/89/55/1033808955.db2.gz RRTXXOJCBBYLBZ-CYBMUJFWSA-N -2 3 384.785 3.655 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccccc1OC(F)(F)F ZINC001257904593 1044253388 /nfs/dbraw/zinc/25/33/88/1044253388.db2.gz KLKBOIZBDAUXSN-UHFFFAOYSA-N -2 3 390.364 3.701 20 0 GHADHL Cc1ccc(CS(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2[O-])cc1 ZINC001259265590 1045053573 /nfs/dbraw/zinc/05/35/73/1045053573.db2.gz OLUKSZYINRZIDL-UHFFFAOYSA-N -2 3 377.462 3.598 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(F)c(F)c1)c1ccc(Oc2ccccn2)cc1 ZINC001260146862 1045397452 /nfs/dbraw/zinc/39/74/52/1045397452.db2.gz IMXPTNKJMYZCJF-UHFFFAOYSA-N -2 3 378.356 3.659 20 0 GHADHL Cc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260398998 1045487117 /nfs/dbraw/zinc/48/71/17/1045487117.db2.gz MLCFHMIFPOWART-UHFFFAOYSA-N -2 3 383.425 3.867 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(SC(F)(F)F)c2)ccc1O ZINC001260399104 1045487291 /nfs/dbraw/zinc/48/72/91/1045487291.db2.gz UDANKBLZMPVBKO-UHFFFAOYSA-N -2 3 393.364 3.503 20 0 GHADHL O=c1[n-]c(F)c(Cl)c([N-]S(=O)(=O)Cc2ccccc2Cl)c1Cl ZINC001260689972 1045609673 /nfs/dbraw/zinc/60/96/73/1045609673.db2.gz CNIFACLVNHAKDR-UHFFFAOYSA-N -2 3 385.631 3.828 20 0 GHADHL O=S(=O)(Cc1ccccc1Cl)[N-]c1ccc(Br)cc1[O-] ZINC001260694730 1045613370 /nfs/dbraw/zinc/61/33/70/1045613370.db2.gz KVTGPWDIAFVTIT-UHFFFAOYSA-N -2 3 376.659 3.750 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc3sccc3c2)cc1C(=O)[O-] ZINC000392250929 1047601294 /nfs/dbraw/zinc/60/12/94/1047601294.db2.gz DMSUAQMJXCSIEH-UHFFFAOYSA-N -2 3 377.443 3.799 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c(F)c1 ZINC000738632541 600057667 /nfs/dbraw/zinc/05/76/67/600057667.db2.gz GYTREHPHUCKPSG-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1C(=O)[O-] ZINC000047201577 600541336 /nfs/dbraw/zinc/54/13/36/600541336.db2.gz SYDLQQGZSQOXCL-UHFFFAOYSA-N -2 3 389.401 3.509 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)cc1C(=O)[O-] ZINC000066588451 600543804 /nfs/dbraw/zinc/54/38/04/600543804.db2.gz RFWYLLNPTOLMKZ-UHFFFAOYSA-N -2 3 389.401 3.509 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1C(=O)[O-] ZINC000371502497 600543818 /nfs/dbraw/zinc/54/38/18/600543818.db2.gz RUAOLUJIQGIKJK-UHFFFAOYSA-N -2 3 398.440 3.565 20 0 GHADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000828764847 601326141 /nfs/dbraw/zinc/32/61/41/601326141.db2.gz OLCCMAJJBWKZMD-BLXFFLACSA-N -2 3 375.446 3.763 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)cc1C ZINC000827444421 603403365 /nfs/dbraw/zinc/40/33/65/603403365.db2.gz IAZJCVKSTJTKRA-CYBMUJFWSA-N -2 3 378.450 3.523 20 0 GHADHL Cc1cc([C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)oc1C(=O)[O-] ZINC000832875578 604667172 /nfs/dbraw/zinc/66/71/72/604667172.db2.gz UGGLGWPWXZWNHL-NSHDSACASA-N -2 3 396.428 3.974 20 0 GHADHL O=C([O-])N1CCc2cccc(CN3CCC(C(=O)c4ccc([O-])cc4)CC3)c21 ZINC000834286888 605471470 /nfs/dbraw/zinc/47/14/70/605471470.db2.gz FMRJJNIRPDMPRZ-UHFFFAOYSA-N -2 3 380.444 3.528 20 0 GHADHL CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(Cl)c1[O-] ZINC000824255497 608583784 /nfs/dbraw/zinc/58/37/84/608583784.db2.gz LSRLXVOKBHTEHF-UHFFFAOYSA-N -2 3 385.855 3.524 20 0 GHADHL CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(Cl)c1[O-] ZINC000824255497 608583786 /nfs/dbraw/zinc/58/37/86/608583786.db2.gz LSRLXVOKBHTEHF-UHFFFAOYSA-N -2 3 385.855 3.524 20 0 GHADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C(=O)[O-])c1 ZINC000110275700 844366819 /nfs/dbraw/zinc/36/68/19/844366819.db2.gz TZNHVHUZCCNNAW-UHFFFAOYSA-N -2 3 389.351 3.701 20 0 GHADHL Cc1cc(Br)c([O-])c([N-]S(=O)(=O)CCc2cccs2)c1 ZINC000584752736 840770105 /nfs/dbraw/zinc/77/01/05/840770105.db2.gz GLYZRXGSUHOIQC-UHFFFAOYSA-N -2 3 376.297 3.509 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000471938270 843724106 /nfs/dbraw/zinc/72/41/06/843724106.db2.gz ADNWUQYYMOIPGT-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000560480164 848075290 /nfs/dbraw/zinc/07/52/90/848075290.db2.gz SCBCHJYYSFANMP-LLVKDONJSA-N -2 3 379.450 3.674 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc(C)c1F ZINC000504702688 850246030 /nfs/dbraw/zinc/24/60/30/850246030.db2.gz IUCJAVRPPCSKID-LBPRGKRZSA-N -2 3 383.466 3.809 20 0 GHADHL Cc1nc(C=Cc2ccc(Br)c(Cl)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504719793 850270044 /nfs/dbraw/zinc/27/00/44/850270044.db2.gz DMXYDGGAFGJEOY-HYXAFXHYSA-N -2 3 383.629 3.704 20 0 GHADHL CC(=O)c1ccc(C(=O)N2CCC([C@@H](CC(=O)[O-])c3ccccc3)CC2)cc1[O-] ZINC000910033290 850964846 /nfs/dbraw/zinc/96/48/46/850964846.db2.gz HCQSZFXUCNUZGS-FQEVSTJZSA-N -2 3 395.455 3.706 20 0 GHADHL O=C(Nc1ccc(F)cc1[O-])c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000488502709 851566175 /nfs/dbraw/zinc/56/61/75/851566175.db2.gz NFCDXZSSBLAQFX-UHFFFAOYSA-N -2 3 384.338 3.881 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)ccc1C(=O)[O-] ZINC000507933849 856711276 /nfs/dbraw/zinc/71/12/76/856711276.db2.gz IWRIAPCCWJUVSU-UHFFFAOYSA-N -2 3 387.379 3.989 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000058519002 857321605 /nfs/dbraw/zinc/32/16/05/857321605.db2.gz DRFCCIHSHWBWJC-UHFFFAOYSA-N -2 3 389.351 3.701 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)cc1C ZINC000738069486 858819805 /nfs/dbraw/zinc/81/98/05/858819805.db2.gz ABSHSRWVZUSJSE-UHFFFAOYSA-N -2 3 395.502 3.512 20 0 GHADHL COc1ccc(-c2nc(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)cs2)cc1 ZINC000669644647 860108126 /nfs/dbraw/zinc/10/81/26/860108126.db2.gz SBDJZBHYLRWLTK-UITAMQMPSA-N -2 3 397.456 3.810 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000607615977 864560771 /nfs/dbraw/zinc/56/07/71/864560771.db2.gz IORMFPSQGRKXHX-UHFFFAOYSA-N -2 3 377.462 3.980 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(Cl)c1 ZINC000324894478 864650596 /nfs/dbraw/zinc/65/05/96/864650596.db2.gz GVJZOOMAWVYHAA-UHFFFAOYSA-N -2 3 379.743 3.858 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COC(C)(C)C)cc1 ZINC000793406707 882150128 /nfs/dbraw/zinc/15/01/28/882150128.db2.gz VYCFIHXOQSTIHN-UHFFFAOYSA-N -2 3 395.452 3.948 20 0 GHADHL CC[C@H](C)C[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193284254 871004427 /nfs/dbraw/zinc/00/44/27/871004427.db2.gz QLGKYQDTGQPGSN-LSDHHAIUSA-N -2 3 390.505 3.748 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(F)c1 ZINC001194011735 871431779 /nfs/dbraw/zinc/43/17/79/871431779.db2.gz MXOXKTKQOLFROW-UHFFFAOYSA-N -2 3 391.779 3.516 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2F)C2CCC2)c(F)cc1F ZINC001195257195 872285388 /nfs/dbraw/zinc/28/53/88/872285388.db2.gz BQXAMTJSKXLXDM-QGZVFWFLSA-N -2 3 399.390 3.622 20 0 GHADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c1 ZINC000507579757 872434071 /nfs/dbraw/zinc/43/40/71/872434071.db2.gz MPZJORAOCRRHOX-UHFFFAOYSA-N -2 3 375.780 3.734 20 0 GHADHL O=S(=O)([O-])c1cc([O-])c(NC(=S)Nc2ccccc2F)c2ccccc21 ZINC001195776933 872654546 /nfs/dbraw/zinc/65/45/46/872654546.db2.gz YAWARRHJSJWLPQ-UHFFFAOYSA-N -2 3 392.433 3.740 20 0 GHADHL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3cc(F)ncc3F)cc2)c1 ZINC001196076422 872866034 /nfs/dbraw/zinc/86/60/34/872866034.db2.gz TXGBGEJXFVNPLN-UHFFFAOYSA-N -2 3 390.367 3.526 20 0 GHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000541304143 873323220 /nfs/dbraw/zinc/32/32/20/873323220.db2.gz STRMNDAYZRDPTH-AWEZNQCLSA-N -2 3 377.462 3.853 20 0 GHADHL CCOC(=O)c1ccc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)c([O-])c1 ZINC000768879414 873642263 /nfs/dbraw/zinc/64/22/63/873642263.db2.gz CBWDASUJXMNLGO-HJWRWDBZSA-N -2 3 381.837 3.635 20 0 GHADHL O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1ccc(Br)cc1[O-] ZINC001197672777 873960544 /nfs/dbraw/zinc/96/05/44/873960544.db2.gz OOQBOCCWPYFTRU-UHFFFAOYSA-N -2 3 394.649 3.889 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1Cl)c1cc(Br)cnc1Cl ZINC001198537163 874468549 /nfs/dbraw/zinc/46/85/49/874468549.db2.gz CGDZENVOXRDYBI-UHFFFAOYSA-N -2 3 398.065 3.657 20 0 GHADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000477404204 877571763 /nfs/dbraw/zinc/57/17/63/877571763.db2.gz JPIBJZIRRBYYJM-UHFFFAOYSA-N -2 3 375.446 3.815 20 0 GHADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000013269538 884354319 /nfs/dbraw/zinc/35/43/19/884354319.db2.gz HMSUQSKCECFWQQ-UHFFFAOYSA-N -2 3 379.743 3.858 20 0 GHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000614863669 888400163 /nfs/dbraw/zinc/40/01/63/888400163.db2.gz VCMHLWBMEIOZPN-UHFFFAOYSA-N -2 3 377.462 3.600 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)C)cc2)cc1C(=O)[O-] ZINC001185314559 913801995 /nfs/dbraw/zinc/80/19/95/913801995.db2.gz LMNVNEXATJHPEE-UHFFFAOYSA-N -2 3 393.461 3.619 20 0 GHADHL CCc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000537197581 894527605 /nfs/dbraw/zinc/52/76/05/894527605.db2.gz PGVNUTBKQMAICW-UHFFFAOYSA-N -2 3 386.267 3.527 20 0 GHADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000564715628 895207008 /nfs/dbraw/zinc/20/70/08/895207008.db2.gz XALWROLJHKSEMT-UHFFFAOYSA-N -3 3 376.217 3.506 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)cc2F)ccc1F ZINC001186183568 914347161 /nfs/dbraw/zinc/34/71/61/914347161.db2.gz DSWMCUJNKOFBBY-UHFFFAOYSA-N -2 3 399.268 3.622 20 0 GHADHL Cc1cc(F)cc(Cl)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187580709 915375775 /nfs/dbraw/zinc/37/57/75/915375775.db2.gz ATRSFQMZDDAVML-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cnc2Cl)ccc1Cl ZINC001188276385 915869256 /nfs/dbraw/zinc/86/92/56/915869256.db2.gz BAIUUESIOVNNJJ-UHFFFAOYSA-N -2 3 381.624 3.541 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2Cl)ccc1Cl ZINC001188276534 915870107 /nfs/dbraw/zinc/87/01/07/915870107.db2.gz FSDDFQIOLUVTKQ-UHFFFAOYSA-N -2 3 381.624 3.541 20 0 GHADHL O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1cc(Br)ccc1[O-] ZINC001189101392 916403352 /nfs/dbraw/zinc/40/33/52/916403352.db2.gz XVTSMTIPTAEWFX-UHFFFAOYSA-N -2 3 390.686 3.793 20 0 GHADHL O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1cc(Br)ccc1[O-] ZINC001191893896 918284506 /nfs/dbraw/zinc/28/45/06/918284506.db2.gz NILWPVNCGVXABA-UHFFFAOYSA-N -2 3 394.649 3.889 20 0 GHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2c(Cl)ncc3ccccc32)cc1 ZINC001192106361 918411703 /nfs/dbraw/zinc/41/17/03/918411703.db2.gz CKLOPXDHTGJFNT-UHFFFAOYSA-N -2 3 390.848 3.706 20 0 GHADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(Br)c([O-])c3)ccc2O1 ZINC001116914135 933825893 /nfs/dbraw/zinc/82/58/93/933825893.db2.gz MURPKALTHXGOFA-UHFFFAOYSA-N -2 3 398.278 3.669 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000562319318 934820924 /nfs/dbraw/zinc/82/09/24/934820924.db2.gz NAQBGSCVIFPHBI-HNNXBMFYSA-N -2 3 397.811 3.638 20 0 GHADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c1F ZINC000326762064 971326195 /nfs/dbraw/zinc/32/61/95/971326195.db2.gz ORESFDLSCSWYBN-INIZCTEOSA-N -2 3 383.828 3.607 20 0 GHADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000146169402 958993835 /nfs/dbraw/zinc/99/38/35/958993835.db2.gz JDDAOPIIWFZFHY-VIFPVBQESA-N -2 3 398.264 3.688 20 0 GHADHL CCCCCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000316628348 964032732 /nfs/dbraw/zinc/03/27/32/964032732.db2.gz YVAIWRDFUFQYPI-UHFFFAOYSA-N -2 3 396.303 3.625 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1Cl ZINC001605277686 973070934 /nfs/dbraw/zinc/07/09/34/973070934.db2.gz MUIRHAHMVCAWTI-GARJFASQSA-N -2 3 394.320 3.716 20 0 GHADHL Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC000754255551 978695909 /nfs/dbraw/zinc/69/59/09/978695909.db2.gz DSZOPOIDSDAKAG-ZHACJKMWSA-N -2 3 375.446 3.893 20 0 GHADHL CCCC[C@@H](OC(=O)c1n[n-]c(-c2ccccc2)c1Br)C(=O)[O-] ZINC001595650598 982010815 /nfs/dbraw/zinc/01/08/15/982010815.db2.gz JQTXFAPDZYHGNC-LLVKDONJSA-N -2 3 381.226 3.639 20 0 GHADHL CC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)cc1[O-] ZINC001589277214 985992977 /nfs/dbraw/zinc/99/29/77/985992977.db2.gz HFEBOPIBAWTBEG-UHFFFAOYSA-N -2 3 392.367 3.733 20 0 GHADHL CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001597258022 987265873 /nfs/dbraw/zinc/26/58/73/987265873.db2.gz FDWQDNBVHHMACN-RYUDHWBXSA-N -2 3 395.905 3.520 20 0 GHADHL CCc1ccc([O-])c(C(=O)N(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC001597557155 988295494 /nfs/dbraw/zinc/29/54/94/988295494.db2.gz ZEOSIVDDAWZTDA-MRXNPFEDSA-N -2 3 392.249 3.615 20 0 GHADHL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC001590493298 990095673 /nfs/dbraw/zinc/09/56/73/990095673.db2.gz JFXHYIYAOAROBY-UHFFFAOYSA-N -2 3 377.462 3.638 20 0 GHADHL COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC001599653811 994546644 /nfs/dbraw/zinc/54/66/44/994546644.db2.gz ONMRTPXVFGCXRX-FQEVSTJZSA-N -2 3 385.441 3.735 20 0 GHADHL CC1(C)CCC[C@@]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)(C(=O)[O-])C1 ZINC001593898148 996760162 /nfs/dbraw/zinc/76/01/62/996760162.db2.gz AWKWVHGZOGHLEC-HNNXBMFYSA-N -2 3 380.293 3.695 20 0 GHADHL CC(=O)c1cccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1 ZINC001215471007 1029224208 /nfs/dbraw/zinc/22/42/08/1029224208.db2.gz KYZDENNOCNSNEN-UHFFFAOYSA-N -2 3 375.178 3.780 20 0 GHADHL C[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1)c1ncccn1 ZINC001225625385 1031516597 /nfs/dbraw/zinc/51/65/97/1031516597.db2.gz KDTATYHBNUEEES-NSHDSACASA-N -2 3 392.367 3.507 20 0 GHADHL O=c1c(OC2CCSCC2)c(-c2ccc(O)cc2)oc2cc([O-])cc([O-])c12 ZINC001225626453 1031518311 /nfs/dbraw/zinc/51/83/11/1031518311.db2.gz QSSIWKSPPWAJTB-UHFFFAOYSA-N -2 3 386.425 3.851 20 0 GHADHL COc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC2CCCC2)ccc1O ZINC001229796029 1033720975 /nfs/dbraw/zinc/72/09/75/1033720975.db2.gz JSYLCFLTRKRFGF-UHFFFAOYSA-N -2 3 384.384 3.907 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc1Cl ZINC001318824291 1054901624 /nfs/dbraw/zinc/90/16/24/1054901624.db2.gz VSGCTRAUCHQVFO-UHFFFAOYSA-N -2 3 394.811 3.769 20 0 GHADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc(C(F)(F)F)c1 ZINC000555530570 452921512 /nfs/dbraw/zinc/92/15/12/452921512.db2.gz QHXHMOSLWJVFSY-UHFFFAOYSA-N -3 3 395.742 3.563 20 0 GHADHL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000740124337 600058049 /nfs/dbraw/zinc/05/80/49/600058049.db2.gz VMNCOULYUDJHQS-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000060417581 600812378 /nfs/dbraw/zinc/81/23/78/600812378.db2.gz JGXXTBMBCMCKPN-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL Cc1ccc(-c2nc(NC(=O)c3cc(NC(=O)[O-])cc(C(F)(F)F)c3)n[n-]2)o1 ZINC000832907944 602143951 /nfs/dbraw/zinc/14/39/51/602143951.db2.gz QEZMZZJLYIAANS-UHFFFAOYSA-N -2 3 395.297 3.734 20 0 GHADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547907514 837439144 /nfs/dbraw/zinc/43/91/44/837439144.db2.gz TVEYGNGDPRYPMY-WCQYABFASA-N -2 3 397.390 3.546 20 0 GHADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000547616614 834362281 /nfs/dbraw/zinc/36/22/81/834362281.db2.gz BPTMFAKNRLVGBY-GFCCVEGCSA-N -2 3 388.272 3.530 20 0 GHADHL Cc1ccc(-c2cc(C(=O)N=c3[n-]nc(-c4cc(F)ccc4C)s3)n[n-]2)o1 ZINC000473416796 844388536 /nfs/dbraw/zinc/38/85/36/844388536.db2.gz YVOPNQHRKIGWCY-UHFFFAOYSA-N -2 3 383.408 3.618 20 0 GHADHL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000320160579 843013864 /nfs/dbraw/zinc/01/38/64/843013864.db2.gz XTAQXLIOEQBTSE-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3sc(C)cc3C)c2)n1 ZINC000431152681 843711767 /nfs/dbraw/zinc/71/17/67/843711767.db2.gz WLTWRLZLCMVKMD-UHFFFAOYSA-N -2 3 389.502 3.891 20 0 GHADHL Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)c2)n1 ZINC000512721795 845173212 /nfs/dbraw/zinc/17/32/12/845173212.db2.gz ZFGZMVPVIZOSDK-UHFFFAOYSA-N -2 3 397.456 3.568 20 0 GHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1 ZINC000504666223 850222944 /nfs/dbraw/zinc/22/29/44/850222944.db2.gz QGCXPGWEJTWGOZ-CYBMUJFWSA-N -2 3 395.502 3.840 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc(C)c1F ZINC000504702687 850246186 /nfs/dbraw/zinc/24/61/86/850246186.db2.gz IUCJAVRPPCSKID-GFCCVEGCSA-N -2 3 383.466 3.809 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(CC)ccc2CC)cc1C(=O)[O-] ZINC000435983440 851064608 /nfs/dbraw/zinc/06/46/08/851064608.db2.gz YYMMLCARSKUXMU-UHFFFAOYSA-N -2 3 377.462 3.709 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c(C)cc1Br ZINC000522651003 862238256 /nfs/dbraw/zinc/23/82/56/862238256.db2.gz UNJGFNWLZPBDEY-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1cccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1[O-] ZINC000436538327 852049625 /nfs/dbraw/zinc/04/96/25/852049625.db2.gz VEMYQSGTXCYCOB-UHFFFAOYSA-N -2 3 382.441 3.754 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H](C)CC)cc2)cc1C(=O)[O-] ZINC000440814423 853635964 /nfs/dbraw/zinc/63/59/64/853635964.db2.gz DAXSOTDLNHBIGN-ZDUSSCGKSA-N -2 3 377.462 3.925 20 0 GHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1Cl ZINC000499502783 857012182 /nfs/dbraw/zinc/01/21/82/857012182.db2.gz DFFODYQTOTWHGI-UHFFFAOYSA-N -2 3 399.827 3.621 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C(C)C)c1 ZINC000486121015 857449330 /nfs/dbraw/zinc/44/93/30/857449330.db2.gz NHRPDYSWBOLASS-UHFFFAOYSA-N -2 3 381.498 3.568 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1Cl ZINC000327112694 859194212 /nfs/dbraw/zinc/19/42/12/859194212.db2.gz MMDFFZRZVIXARD-UHFFFAOYSA-N -2 3 383.853 3.855 20 0 GHADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000328043470 864794079 /nfs/dbraw/zinc/79/40/79/864794079.db2.gz IOGZIYWSLACJOU-MGCOHNPYSA-N -2 3 399.818 3.528 20 0 GHADHL CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C(C)C ZINC000193550469 881876011 /nfs/dbraw/zinc/87/60/11/881876011.db2.gz ASMANKJYMXTXAJ-UHFFFAOYSA-N -2 3 396.896 3.717 20 0 GHADHL Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cc(Cl)ccc3[S-])c2)o1 ZINC001192264086 870247357 /nfs/dbraw/zinc/24/73/57/870247357.db2.gz FPAHYDIQSVENKA-UHFFFAOYSA-N -2 3 381.866 3.788 20 0 GHADHL O=C(Nc1ccc(F)cc1[O-])c1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000540453542 871340775 /nfs/dbraw/zinc/34/07/75/871340775.db2.gz WCHJGLFYLMXSIM-UHFFFAOYSA-N -2 3 384.338 3.881 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2Cl)c(Cl)cc1F ZINC001193973535 871411568 /nfs/dbraw/zinc/41/15/68/871411568.db2.gz RYXOCQXYWXCFEJ-UHFFFAOYSA-N -2 3 399.614 3.680 20 0 GHADHL CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000526005263 871881728 /nfs/dbraw/zinc/88/17/28/871881728.db2.gz UIKCEOOBFALAFC-UHFFFAOYSA-N -2 3 387.866 3.802 20 0 GHADHL COc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)ccc1Br ZINC000182491533 872451079 /nfs/dbraw/zinc/45/10/79/872451079.db2.gz FOBAOMFFMQUTMZ-UHFFFAOYSA-N -2 3 392.658 3.618 20 0 GHADHL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1)C(=O)[O-] ZINC000463775388 872548917 /nfs/dbraw/zinc/54/89/17/872548917.db2.gz BUDHLJUTEXOFCQ-MRXNPFEDSA-N -2 3 391.489 3.766 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c(C)c1 ZINC000541000916 872718576 /nfs/dbraw/zinc/71/85/76/872718576.db2.gz RKWDMDNUSFBNFC-UHFFFAOYSA-N -2 3 377.462 3.602 20 0 GHADHL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ccc4nccn4c3)cc2)c1 ZINC001196068258 872835811 /nfs/dbraw/zinc/83/58/11/872835811.db2.gz MLUKQQLLSPRRDZ-UHFFFAOYSA-N -2 3 393.424 3.500 20 0 GHADHL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000174046673 876800383 /nfs/dbraw/zinc/80/03/83/876800383.db2.gz IGHYNHCAAACZQQ-UHFFFAOYSA-N -2 3 396.534 3.547 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000497959653 892848075 /nfs/dbraw/zinc/84/80/75/892848075.db2.gz OHEMOOBWCKQQMS-UHFFFAOYSA-N -2 3 375.446 3.537 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc2ccccc2c1Cl ZINC001185877777 914171422 /nfs/dbraw/zinc/17/14/22/914171422.db2.gz TVGQTYAXURNXOT-UHFFFAOYSA-N -2 3 376.821 3.696 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)c(F)c1F ZINC001185917664 914199498 /nfs/dbraw/zinc/19/94/98/914199498.db2.gz HVDCXMWRGXOTCN-UHFFFAOYSA-N -2 3 395.305 3.791 20 0 GHADHL CC(C)n1cc(Cl)c([N-]S(=O)(=O)c2c([O-])cccc2OC(F)(F)F)n1 ZINC000901947502 921766623 /nfs/dbraw/zinc/76/66/23/921766623.db2.gz KUAYMCVCJAFYRP-UHFFFAOYSA-N -2 3 399.778 3.522 20 0 GHADHL CC(C)c1sc(NC(=O)c2cc([O-])cc(Br)c2)nc1C(=O)[O-] ZINC001592114962 976911289 /nfs/dbraw/zinc/91/12/89/976911289.db2.gz PENHWMUFNRNQAO-UHFFFAOYSA-N -2 3 385.239 3.685 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1 ZINC001597125751 986831715 /nfs/dbraw/zinc/83/17/15/986831715.db2.gz FYJWZLIGIBTEEW-UHFFFAOYSA-N -2 3 377.462 3.557 20 0 GHADHL C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c1 ZINC001589531443 987202969 /nfs/dbraw/zinc/20/29/69/987202969.db2.gz GKUGUGPIDQHMKE-CQSZACIVSA-N -2 3 392.411 3.812 20 0 GHADHL CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001597258020 987265480 /nfs/dbraw/zinc/26/54/80/987265480.db2.gz FDWQDNBVHHMACN-NEPJUHHUSA-N -2 3 395.905 3.520 20 0 GHADHL CSc1ccc(-c2nsc([N-]C(=O)c3ccc(/C=C/C(=O)[O-])o3)n2)cc1 ZINC001599809660 988311876 /nfs/dbraw/zinc/31/18/76/988311876.db2.gz PHUFARDSKZTSQE-WEVVVXLNSA-N -2 3 387.442 3.870 20 0 GHADHL CC(C)[C@](C)(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001590968364 991089982 /nfs/dbraw/zinc/08/99/82/991089982.db2.gz QLPBSJRAFOGEAA-KRWDZBQOSA-N -2 3 385.869 3.567 20 0 GHADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)c(C(=O)[O-])ccc1Cl ZINC001599579438 998502896 /nfs/dbraw/zinc/50/28/96/998502896.db2.gz DOFARNVHYOOJBU-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL COc1c(F)cccc1-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215470743 1029224308 /nfs/dbraw/zinc/22/43/08/1029224308.db2.gz BLNOMDAZZGRCPE-UHFFFAOYSA-N -2 3 381.157 3.725 20 0 GHADHL [O-]c1cc([O-])c(-c2nc(-c3cnc4c(c3)CCCC4)no2)cc1Br ZINC001215473803 1029229534 /nfs/dbraw/zinc/22/95/34/1029229534.db2.gz QADKYECQCSTOSL-UHFFFAOYSA-N -2 3 388.221 3.851 20 0 GHADHL O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241290507 1035550148 /nfs/dbraw/zinc/55/01/48/1035550148.db2.gz UDOLRYODHOBEDE-UHFFFAOYSA-N -2 3 398.337 3.811 20 0 GHADHL O=c1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[n-]n1-c1ccccc1 ZINC001257679180 1044114661 /nfs/dbraw/zinc/11/46/61/1044114661.db2.gz PGQDVCJSEDGEAX-UHFFFAOYSA-N -2 3 384.244 3.686 20 0 GHADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Br)c([O-])c1 ZINC001324491299 1057148024 /nfs/dbraw/zinc/14/80/24/1057148024.db2.gz JVTDSCNOXIZONM-UHFFFAOYSA-N -2 3 376.659 3.917 20 0 GHADHL O=C(Nc1cc([O-])c(F)cc1F)c1c([O-])cnc2c(Br)cccc21 ZINC001468747064 1067859022 /nfs/dbraw/zinc/85/90/22/1067859022.db2.gz BHBCYQRVHKMZNR-UHFFFAOYSA-N -2 3 395.159 3.939 20 0 GHADHL CCCOc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)cc1 ZINC000737034809 599926774 /nfs/dbraw/zinc/92/67/74/599926774.db2.gz PXXVTNJORXYPHP-UHFFFAOYSA-N -2 3 395.502 3.594 20 0 GHADHL O=C([O-])CN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000738609611 600087462 /nfs/dbraw/zinc/08/74/62/600087462.db2.gz ZSUZHONTLBYGAI-UHFFFAOYSA-N -2 3 395.440 3.744 20 0 GHADHL CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)[O-])c3)ccc21 ZINC000050532974 600543184 /nfs/dbraw/zinc/54/31/84/600543184.db2.gz NNJURYUTJQBMSW-UHFFFAOYSA-N -2 3 388.445 3.559 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)cc1C(=O)[O-] ZINC000519323357 600544147 /nfs/dbraw/zinc/54/41/47/600544147.db2.gz AYZVIJHZRFCHLW-UHFFFAOYSA-N -2 3 377.462 3.783 20 0 GHADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(N(C)C(=O)[O-])cc3)cc(Cl)c2O1 ZINC000736826915 600635614 /nfs/dbraw/zinc/63/56/14/600635614.db2.gz ZNAIEHRTVJZTLS-SNVBAGLBSA-N -2 3 396.852 3.578 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccc1N1CCCC1 ZINC000832899043 601843788 /nfs/dbraw/zinc/84/37/88/601843788.db2.gz BOCJSRKSCSJFCQ-UHFFFAOYSA-N -2 3 394.880 3.748 20 0 GHADHL CN(C[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1)C(=O)[O-] ZINC000739638410 603194518 /nfs/dbraw/zinc/19/45/18/603194518.db2.gz OUXBPWSPHWBQNC-HNNXBMFYSA-N -2 3 384.432 3.647 20 0 GHADHL C[C@@H](Sc1ccccc1C(=O)Nc1cc(Br)ccc1[O-])C(=O)[O-] ZINC000833543957 604795934 /nfs/dbraw/zinc/79/59/34/604795934.db2.gz BWMBEXNGWPIOQY-SECBINFHSA-N -2 3 396.262 3.972 20 0 GHADHL CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000833509375 604957111 /nfs/dbraw/zinc/95/71/11/604957111.db2.gz PSBDBHUOBXYFOU-INIZCTEOSA-N -2 3 385.445 3.900 20 0 GHADHL O=C([O-])Nc1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000834261552 605736274 /nfs/dbraw/zinc/73/62/74/605736274.db2.gz GESOIFCLUCODSF-UHFFFAOYSA-N -2 3 392.330 3.876 20 0 GHADHL CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cc(Cl)c([O-])cc1Cl ZINC000825782661 607975893 /nfs/dbraw/zinc/97/58/93/607975893.db2.gz KQXFLQPKYKAUQL-UHFFFAOYSA-N -2 3 375.219 3.916 20 0 GHADHL CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cc(Cl)c([O-])cc1Cl ZINC000825782661 607975894 /nfs/dbraw/zinc/97/58/94/607975894.db2.gz KQXFLQPKYKAUQL-UHFFFAOYSA-N -2 3 375.219 3.916 20 0 GHADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000533628762 837307440 /nfs/dbraw/zinc/30/74/40/837307440.db2.gz YHUCKIQYDLEFRV-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)c(F)c1 ZINC000544646024 842144913 /nfs/dbraw/zinc/14/49/13/842144913.db2.gz BWGOKTTYWCEXFA-UHFFFAOYSA-N -2 3 379.743 3.916 20 0 GHADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000548222884 842203585 /nfs/dbraw/zinc/20/35/85/842203585.db2.gz KKYNUTVWIRVEPZ-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000548259825 842311075 /nfs/dbraw/zinc/31/10/75/842311075.db2.gz CKMBZFVGMNEABM-UHFFFAOYSA-N -2 3 399.415 3.889 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1C(C)C ZINC000432682938 843453357 /nfs/dbraw/zinc/45/33/57/843453357.db2.gz VXTFMHIKBDQGIN-UHFFFAOYSA-N -2 3 377.462 3.934 20 0 GHADHL CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC000432762164 843742269 /nfs/dbraw/zinc/74/22/69/843742269.db2.gz ZTZCKDDNASKOFX-UHFFFAOYSA-N -2 3 393.461 3.763 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccccc1F ZINC000548574812 845615634 /nfs/dbraw/zinc/61/56/34/845615634.db2.gz CTNRPWSUERUWDG-OAHLLOKOSA-N -2 3 395.383 3.514 20 0 GHADHL Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000511215699 848697395 /nfs/dbraw/zinc/69/73/95/848697395.db2.gz JXJAHSQTSMESTL-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1)C(=O)[O-] ZINC000504666772 850223929 /nfs/dbraw/zinc/22/39/29/850223929.db2.gz YRLCFBCLWAEGBK-ZDUSSCGKSA-N -2 3 391.514 3.931 20 0 GHADHL COc1cc(-c2ccccc2)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504734570 850263571 /nfs/dbraw/zinc/26/35/71/850263571.db2.gz ZMZUZHGYJZJRAL-KHPPLWFESA-N -2 3 376.412 3.964 20 0 GHADHL COc1ccccc1-c1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000504721101 850271306 /nfs/dbraw/zinc/27/13/06/850271306.db2.gz ODWCHOKBONLYNS-FMIVXFBMSA-N -2 3 376.412 3.964 20 0 GHADHL Cc1nc(C=Cc2ccc(Cl)cc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504728369 850275066 /nfs/dbraw/zinc/27/50/66/850275066.db2.gz BYJZZTJSQVCBCC-HYXAFXHYSA-N -2 3 383.629 3.704 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC000048382881 851917447 /nfs/dbraw/zinc/91/74/47/851917447.db2.gz AFVRIRNXNDVXMQ-UHFFFAOYSA-N -2 3 392.452 3.542 20 0 GHADHL O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(-c2cccs2)on1 ZINC000436918416 852499677 /nfs/dbraw/zinc/49/96/77/852499677.db2.gz HYAZIBZKUUAPAE-UHFFFAOYSA-N -2 3 387.808 3.800 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC000438795236 852869949 /nfs/dbraw/zinc/86/99/49/852869949.db2.gz OOZHJFWKIVYRHB-UHFFFAOYSA-N -2 3 383.853 3.936 20 0 GHADHL Cc1nc(C=Cc2cc(Cl)ccc2OC(F)F)[n-]c(=O)c1CCC(=O)[O-] ZINC000443454002 858695753 /nfs/dbraw/zinc/69/57/53/858695753.db2.gz JHTYVOHRVVXEKC-KXFIGUGUSA-N -2 3 384.766 3.933 20 0 GHADHL CSc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1 ZINC000326827857 858714311 /nfs/dbraw/zinc/71/43/11/858714311.db2.gz KFWNMGYHFOISTH-UHFFFAOYSA-N -2 3 379.503 3.762 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000793353102 882147107 /nfs/dbraw/zinc/14/71/07/882147107.db2.gz OELOVPOKURECOY-UHFFFAOYSA-N -2 3 393.223 3.522 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000524382705 868984460 /nfs/dbraw/zinc/98/44/60/868984460.db2.gz QKQHJLLDPOARAC-UHFFFAOYSA-N -2 3 391.342 3.906 20 0 GHADHL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000446625225 870144013 /nfs/dbraw/zinc/14/40/13/870144013.db2.gz QUQINRSPEIYYPF-UHFFFAOYSA-N -2 3 393.408 3.962 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2)cc1C(=O)[O-] ZINC001192648879 870557846 /nfs/dbraw/zinc/55/78/46/870557846.db2.gz IFXLGZZSCVFVPC-UHFFFAOYSA-N -2 3 377.462 3.882 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1Oc1ccncc1 ZINC000447267863 871292055 /nfs/dbraw/zinc/29/20/55/871292055.db2.gz QRCJFCTXECYFTR-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL Cc1ccc(-c2cc(C(=O)N=c3[n-]nc(Cc4cccc(Cl)c4)s3)n[n-]2)o1 ZINC000464356927 873703730 /nfs/dbraw/zinc/70/37/30/873703730.db2.gz QVZUAZPKBCYOKA-UHFFFAOYSA-N -2 3 399.863 3.748 20 0 GHADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000551999014 878135672 /nfs/dbraw/zinc/13/56/72/878135672.db2.gz BNRDVOCAZDXFMX-MRVPVSSYSA-N -2 3 387.807 3.527 20 0 GHADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000476250866 884291866 /nfs/dbraw/zinc/29/18/66/884291866.db2.gz HLJHAWFTJMRXCC-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000320385410 891806621 /nfs/dbraw/zinc/80/66/21/891806621.db2.gz LOEJUUYRBBVAJS-UHFFFAOYSA-N -2 3 380.293 3.697 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cccnc1Oc1ccc(F)cc1 ZINC000821190871 897754863 /nfs/dbraw/zinc/75/48/63/897754863.db2.gz HCWFWTACMCOXHD-UHFFFAOYSA-N -2 3 378.356 3.659 20 0 GHADHL Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(Cl)c1[O-] ZINC001188312605 915879544 /nfs/dbraw/zinc/87/95/44/915879544.db2.gz TXVLPOOXGYPLTB-UHFFFAOYSA-N -2 3 376.217 3.506 20 0 GHADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC000800817233 920490266 /nfs/dbraw/zinc/49/02/66/920490266.db2.gz XGCTZVLLMGHVIF-UHFFFAOYSA-N -2 3 394.198 3.558 20 0 GHADHL CCCc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cc1 ZINC000726155405 926574501 /nfs/dbraw/zinc/57/45/01/926574501.db2.gz ISJLITPXKMFGJD-UHFFFAOYSA-N -2 3 391.489 3.992 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)ccc1C(F)(F)F ZINC000558586906 932089343 /nfs/dbraw/zinc/08/93/43/932089343.db2.gz QUHNAMZVAUBAEI-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccccc1 ZINC000559877928 932919377 /nfs/dbraw/zinc/91/93/77/932919377.db2.gz VBTDJCAKGITNMI-OAHLLOKOSA-N -2 3 393.848 3.889 20 0 GHADHL COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001594096659 958411004 /nfs/dbraw/zinc/41/10/04/958411004.db2.gz LTLCOEFWGMHMRR-OAHLLOKOSA-N -2 3 383.778 3.691 20 0 GHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c(F)c1 ZINC001591788850 975977488 /nfs/dbraw/zinc/97/74/88/975977488.db2.gz XWVHWSXFAVSOPB-UHFFFAOYSA-N -2 3 387.816 3.765 20 0 GHADHL C[C@](CC(=O)[O-])(NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccncc1 ZINC001592304626 977666293 /nfs/dbraw/zinc/66/62/93/977666293.db2.gz SHSCMYKRMFIEDB-JOCHJYFZSA-N -2 3 392.411 3.699 20 0 GHADHL C[C@@H](CCC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001592476959 978239102 /nfs/dbraw/zinc/23/91/02/978239102.db2.gz FVEOIMVCLCDBEE-NSHDSACASA-N -2 3 375.437 3.690 20 0 GHADHL C[C@](CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001592694231 979147202 /nfs/dbraw/zinc/14/72/02/979147202.db2.gz OLMKRSZISSJEOP-HSZRJFAPSA-N -2 3 391.423 3.957 20 0 GHADHL C[C@H]1CC[C@@]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)(C(=O)[O-])CC1 ZINC001599908893 984959306 /nfs/dbraw/zinc/95/93/06/984959306.db2.gz IAZNEMBAWGTEAG-KMHCFJFGSA-N -2 3 399.818 3.671 20 0 GHADHL CC(C)(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001589728879 987937274 /nfs/dbraw/zinc/93/72/74/987937274.db2.gz QFEJWCDSJWJWHF-GWCFXTLKSA-N -2 3 377.865 3.670 20 0 GHADHL COc1ccc(C(Oc2nc3ncnc-3c([S-])[n-]2)c2ccc(OC)cc2)cc1 ZINC001226786978 1032129827 /nfs/dbraw/zinc/12/98/27/1032129827.db2.gz URYARIVHJOJCKP-UHFFFAOYSA-N -2 3 394.456 3.827 20 0 GHADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)[C@@H](C)c1ccccc1 ZINC001593330344 994892994 /nfs/dbraw/zinc/89/29/94/994892994.db2.gz HOEUTCDFSCYQQB-GHMZBOCLSA-N -2 3 385.844 3.648 20 0 GHADHL O=c1nc2nc(Br)[n-]c2c(O[C@H]2Cc3cccc4cccc2c34)[n-]1 ZINC001227593253 1032477533 /nfs/dbraw/zinc/47/75/33/1032477533.db2.gz DEDAIYAKAYXJSH-NSHDSACASA-N -2 3 383.205 3.650 20 0 GHADHL CO[C@@H](COc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC001228119287 1032793140 /nfs/dbraw/zinc/79/31/40/1032793140.db2.gz FTCHCUIWRPAMQJ-NRFANRHFSA-N -2 3 380.396 3.801 20 0 GHADHL C[C@H](COc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])Oc1ccccc1 ZINC001228122527 1032795513 /nfs/dbraw/zinc/79/55/13/1032795513.db2.gz NXPQPSDWESWBSE-CQSZACIVSA-N -2 3 380.396 3.881 20 0 GHADHL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000681557181 1022307068 /nfs/dbraw/zinc/30/70/68/1022307068.db2.gz HFFFUZOOAVYRAL-UHFFFAOYSA-N -2 3 376.821 3.696 20 0 GHADHL O=S(=O)([N-]c1cc(Br)ccc1[O-])C1=Cc2ccccc2CC1 ZINC000754259175 1022565401 /nfs/dbraw/zinc/56/54/01/1022565401.db2.gz PQHNXSPVMQJHOU-UHFFFAOYSA-N -2 3 380.263 3.884 20 0 GHADHL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000755978075 1023462048 /nfs/dbraw/zinc/46/20/48/1023462048.db2.gz FITYREDBIFBMFP-KHPPLWFESA-N -2 3 395.864 3.778 20 0 GHADHL COc1ccc(OC)c(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1 ZINC001215470738 1029225390 /nfs/dbraw/zinc/22/53/90/1029225390.db2.gz BIHKLBZRJCYELJ-UHFFFAOYSA-N -2 3 393.193 3.595 20 0 GHADHL CC(C)Oc1ccc(COCCCCP(=O)([O-])[O-])cc1Br ZINC001225019647 1031213961 /nfs/dbraw/zinc/21/39/61/1031213961.db2.gz ZJIPHKNUWYCYIC-UHFFFAOYSA-N -2 3 381.203 3.711 20 0 GHADHL COc1ccc2c(C)cc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)nc2c1 ZINC001157157371 1033437166 /nfs/dbraw/zinc/43/71/66/1033437166.db2.gz OYGOLWKEOUJBPX-UHFFFAOYSA-N -2 3 384.372 3.637 20 0 GHADHL CC(C)(C)N1CC(Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)C1 ZINC001229771430 1033700487 /nfs/dbraw/zinc/70/04/87/1033700487.db2.gz FEYIMSYGGJGZOL-UHFFFAOYSA-N -2 3 381.428 3.733 20 0 GHADHL O=S(=O)([N-]c1cc(Cl)nnc1Cl)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260868760 1045724867 /nfs/dbraw/zinc/72/48/67/1045724867.db2.gz IMVDNZKNKAZBRX-UHFFFAOYSA-N -2 3 389.047 3.597 20 0 GHADHL O=S(=O)([N-]c1cccc(C2OCCO2)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875999 1045732975 /nfs/dbraw/zinc/73/29/75/1045732975.db2.gz KGZWLUCVRAVTOR-UHFFFAOYSA-N -2 3 390.244 3.545 20 0 GHADHL [O-]C(c1cnc([N-]c2ncnc3ncccc23)s1)(C(F)(F)F)C(F)(F)F ZINC001335448793 1052103610 /nfs/dbraw/zinc/10/36/10/1052103610.db2.gz KGVFEPOQQJEGKV-UHFFFAOYSA-N -2 3 395.288 3.537 20 0 GHADHL O=S(=O)([N-]c1cc(Br)c(F)cc1F)c1cccc(Cl)c1[O-] ZINC000436478917 450602883 /nfs/dbraw/zinc/60/28/83/450602883.db2.gz SHHROOVJJBPTEJ-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(Cl)cc2)o1 ZINC000740174217 599772748 /nfs/dbraw/zinc/77/27/48/599772748.db2.gz WGFLHFVGANQCSF-HNNXBMFYSA-N -2 3 397.861 3.761 20 0 GHADHL O=C([O-])CCc1nnc([N-]C(=O)c2ccc(-c3ccccc3Cl)o2)s1 ZINC000739777333 600631238 /nfs/dbraw/zinc/63/12/38/600631238.db2.gz NVXLRJJZNVIDNI-UHFFFAOYSA-N -2 3 377.809 3.721 20 0 GHADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000314382198 601188068 /nfs/dbraw/zinc/18/80/68/601188068.db2.gz QWPMPUGATRJYEW-VIFPVBQESA-N -2 3 380.274 3.549 20 0 GHADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000314382194 601188105 /nfs/dbraw/zinc/18/81/05/601188105.db2.gz QWPMPUGATRJYEW-SECBINFHSA-N -2 3 380.274 3.549 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c(Cl)c1 ZINC000489608634 601334830 /nfs/dbraw/zinc/33/48/30/601334830.db2.gz USEBNHBLSQOJEC-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL CSCCc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000471119191 834746341 /nfs/dbraw/zinc/74/63/41/834746341.db2.gz PQNGTLJDVVXJPN-UHFFFAOYSA-N -2 3 379.503 3.708 20 0 GHADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000323798306 843012792 /nfs/dbraw/zinc/01/27/92/843012792.db2.gz FSLAGVGLOKJCKF-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL O=P([O-])([O-])C1(Nc2ccc(C3(C(F)(F)F)CC3)cn2)Cc2ccccc2C1 ZINC001167936055 844754916 /nfs/dbraw/zinc/75/49/16/844754916.db2.gz VYHNQQQLMBRCJR-UHFFFAOYSA-N -2 3 398.321 3.760 20 0 GHADHL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000548524497 845343087 /nfs/dbraw/zinc/34/30/87/845343087.db2.gz PSSNMYYQOISCOI-UHFFFAOYSA-N -3 3 391.445 3.571 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1Br ZINC000548535679 845403543 /nfs/dbraw/zinc/40/35/43/845403543.db2.gz XBJSSBVSZKKNDU-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000150735087 849005311 /nfs/dbraw/zinc/00/53/11/849005311.db2.gz LHNWNLKZORYZMG-UHFFFAOYSA-N -2 3 387.379 3.989 20 0 GHADHL Cc1nc(C=Cc2ccc(Br)cc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000504733063 850263063 /nfs/dbraw/zinc/26/30/63/850263063.db2.gz SUECLAHJYBSGOJ-HYXAFXHYSA-N -2 3 383.629 3.704 20 0 GHADHL Cc1nc(C=Cc2ccc(Cl)cc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504728368 850275286 /nfs/dbraw/zinc/27/52/86/850275286.db2.gz BYJZZTJSQVCBCC-HWKANZROSA-N -2 3 383.629 3.704 20 0 GHADHL Cc1ccc(Sc2nc(=NC(=O)c3cc(-c4ccco4)[n-]n3)s[n-]2)cc1 ZINC000440316794 851035105 /nfs/dbraw/zinc/03/51/05/851035105.db2.gz PMXYKIHTSMHDTN-UHFFFAOYSA-N -2 3 383.458 3.655 20 0 GHADHL Cc1ccc(Sc2nc(=NC(=O)c3cc(-c4ccco4)n[n-]3)s[n-]2)cc1 ZINC000440316794 851035116 /nfs/dbraw/zinc/03/51/16/851035116.db2.gz PMXYKIHTSMHDTN-UHFFFAOYSA-N -2 3 383.458 3.655 20 0 GHADHL O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436478986 851948884 /nfs/dbraw/zinc/94/88/84/851948884.db2.gz OZOHFTCHVSDXMJ-UHFFFAOYSA-N -2 3 383.351 3.602 20 0 GHADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000438766919 852822812 /nfs/dbraw/zinc/82/28/12/852822812.db2.gz UHDXQBZXQWBOSE-UHFFFAOYSA-N -2 3 385.894 3.745 20 0 GHADHL O=C(Nc1ccc(Br)cc1[O-])c1cccc(Br)c1[O-] ZINC000517367236 853716120 /nfs/dbraw/zinc/71/61/20/853716120.db2.gz DEDCGFCOCAYOJB-UHFFFAOYSA-N -2 3 387.027 3.875 20 0 GHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1 ZINC000031669582 856181632 /nfs/dbraw/zinc/18/16/32/856181632.db2.gz KRNUOERQQUMVCB-UHFFFAOYSA-N -2 3 399.852 3.640 20 0 GHADHL COc1cccc(-c2nc(=NC(=O)c3cc([O-])c4ccccc4c3)s[n-]2)c1 ZINC000472085792 856471973 /nfs/dbraw/zinc/47/19/73/856471973.db2.gz WALNATJUWWATQU-UHFFFAOYSA-N -2 3 377.425 3.747 20 0 GHADHL CCCCc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)c(C(=O)[O-])c2)cc1 ZINC000045947049 856787961 /nfs/dbraw/zinc/78/79/61/856787961.db2.gz HEINIIGPNSCCIP-UHFFFAOYSA-N -2 3 393.461 3.545 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1Cl ZINC000442238724 857642100 /nfs/dbraw/zinc/64/21/00/857642100.db2.gz RGBNTPUARZBKIT-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c(C)c1OCC(=O)[O-] ZINC000522395821 859325806 /nfs/dbraw/zinc/32/58/06/859325806.db2.gz WQQYLPVEHLNMDT-UHFFFAOYSA-N -2 3 377.462 3.691 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1C(F)(F)F ZINC000120316356 881526063 /nfs/dbraw/zinc/52/60/63/881526063.db2.gz BFSKQQADMXHZCG-UHFFFAOYSA-N -2 3 385.363 3.693 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc(C(=O)[O-])c1F ZINC000765649021 860379123 /nfs/dbraw/zinc/37/91/23/860379123.db2.gz VAYQAJAUMFAMGX-UHFFFAOYSA-N -2 3 384.404 3.593 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000793401244 882177818 /nfs/dbraw/zinc/17/78/18/882177818.db2.gz PXAWDQIYACGDRV-UHFFFAOYSA-N -2 3 391.342 3.738 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)c1 ZINC000539397482 871896062 /nfs/dbraw/zinc/89/60/62/871896062.db2.gz CXKFAZXJJHYFFR-UHFFFAOYSA-N -2 3 376.459 3.634 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)c(F)cc1F ZINC001195249514 872278795 /nfs/dbraw/zinc/27/87/95/872278795.db2.gz OAPIPEPEBOQZKJ-UHFFFAOYSA-N -2 3 395.427 3.668 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2c2ccccc2)c(F)cc1F ZINC001195255247 872283629 /nfs/dbraw/zinc/28/36/29/872283629.db2.gz VPKUTUPHEUFLSY-SUMWQHHRSA-N -2 3 395.427 3.668 20 0 GHADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1)C(=O)[O-] ZINC000463775387 872548637 /nfs/dbraw/zinc/54/86/37/872548637.db2.gz BUDHLJUTEXOFCQ-INIZCTEOSA-N -2 3 391.489 3.766 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](CC)C(=O)[O-])cc2)c(C)c1 ZINC000463777064 872550719 /nfs/dbraw/zinc/55/07/19/872550719.db2.gz INAXEANOPXSRAJ-INIZCTEOSA-N -2 3 391.489 3.848 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c(C)c1C ZINC000541930085 874556932 /nfs/dbraw/zinc/55/69/32/874556932.db2.gz MVQMDHKMTPDFNJ-UHFFFAOYSA-N -2 3 377.462 3.520 20 0 GHADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1 ZINC001198730656 874584971 /nfs/dbraw/zinc/58/49/71/874584971.db2.gz VEWCUDDUYSTYQT-UHFFFAOYSA-N -2 3 383.425 3.765 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c(C)c1 ZINC000542236721 875200423 /nfs/dbraw/zinc/20/04/23/875200423.db2.gz NNMYIQOWMFGSIZ-CYBMUJFWSA-N -2 3 377.462 3.773 20 0 GHADHL O=C([O-])Cc1ccc(OCc2ccccc2C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001183737155 912762809 /nfs/dbraw/zinc/76/28/09/912762809.db2.gz VUBGVPYITAIYID-UHFFFAOYSA-N -2 3 395.386 3.990 20 0 GHADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000476247835 884318529 /nfs/dbraw/zinc/31/85/29/884318529.db2.gz KVWPNPRGGOJWFA-UHFFFAOYSA-N -2 3 398.278 3.819 20 0 GHADHL CCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000124910121 885843838 /nfs/dbraw/zinc/84/38/38/885843838.db2.gz VEJFGUNTKUYSOT-UHFFFAOYSA-N -2 3 396.896 3.719 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c(C)c1 ZINC000763283143 888439589 /nfs/dbraw/zinc/43/95/89/888439589.db2.gz GLDKUFPJASGCEM-UHFFFAOYSA-N -2 3 381.425 3.730 20 0 GHADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1 ZINC000763281911 888442894 /nfs/dbraw/zinc/44/28/94/888442894.db2.gz BXFCAKVTLWFWCN-LBPRGKRZSA-N -2 3 381.425 3.810 20 0 GHADHL O=C([O-])c1cnc(C=Cc2cccc(NC(=O)c3ccccc3Cl)c2)[n-]c1=O ZINC000670370067 891805484 /nfs/dbraw/zinc/80/54/84/891805484.db2.gz UOFJHYZSGBUCSU-CMDGGOBGSA-N -2 3 395.802 3.957 20 0 GHADHL CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C(C)(C)C ZINC000568394732 897803921 /nfs/dbraw/zinc/80/39/21/897803921.db2.gz USDZTNXOAAZDFT-UHFFFAOYSA-N -2 3 396.896 3.717 20 0 GHADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000576901771 902347302 /nfs/dbraw/zinc/34/73/02/902347302.db2.gz NRWKWDDAACMURH-NSHDSACASA-N -2 3 399.406 3.794 20 0 GHADHL O=C(Nc1ncc([O-])cc1Br)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805679 904215970 /nfs/dbraw/zinc/21/59/70/904215970.db2.gz RPGDGSHBYSCDPB-UHFFFAOYSA-N -2 3 378.009 3.814 20 0 GHADHL O=C(Nc1cc(I)ccc1[O-])c1c([O-])cccc1Cl ZINC000748309622 923566009 /nfs/dbraw/zinc/56/60/09/923566009.db2.gz PDKVSXCOQOEBMZ-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000547243027 930838054 /nfs/dbraw/zinc/83/80/54/930838054.db2.gz IURIEWMWEHMMLD-UHFFFAOYSA-N -2 3 397.452 3.694 20 0 GHADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc2ccccc2c1 ZINC000560078525 933052393 /nfs/dbraw/zinc/05/23/93/933052393.db2.gz UAIZKAITZOJKCG-MRXNPFEDSA-N -2 3 393.823 3.737 20 0 GHADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1nc[n-]c1C(F)(F)F ZINC001137943025 935883761 /nfs/dbraw/zinc/88/37/61/935883761.db2.gz MDEUCURDRTZZIM-UHFFFAOYSA-N -2 3 384.539 3.802 20 0 GHADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000325554890 971225949 /nfs/dbraw/zinc/22/59/49/971225949.db2.gz LFYAGRWZAPOYGA-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL O=C([O-])c1cccc(CN2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c1 ZINC001574807340 957860912 /nfs/dbraw/zinc/86/09/12/957860912.db2.gz HSLIKFDYLCRAQI-HNNXBMFYSA-N -2 3 392.377 3.557 20 0 GHADHL O=C([O-])[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccc(F)cc1 ZINC001605731050 972364579 /nfs/dbraw/zinc/36/45/79/972364579.db2.gz LBRLOYVTQFUWOD-FQEVSTJZSA-N -2 3 379.387 3.678 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCc3ccccc32)c(F)cc1Cl ZINC001259225694 960693219 /nfs/dbraw/zinc/69/32/19/960693219.db2.gz CCUPFYNXAAWGIX-GFCCVEGCSA-N -2 3 397.855 3.576 20 0 GHADHL CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001595622563 981712233 /nfs/dbraw/zinc/71/22/33/981712233.db2.gz UJRSUCLCEXNDBE-GXFFZTMASA-N -2 3 377.865 3.815 20 0 GHADHL CC[C@@H](C)[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)[O-] ZINC001594929028 982545391 /nfs/dbraw/zinc/54/53/91/982545391.db2.gz QBNONWPBRWTLIA-RNCFNFMXSA-N -2 3 392.868 3.766 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3CCC(=O)[O-])c2)n1 ZINC001597421610 987742199 /nfs/dbraw/zinc/74/21/99/987742199.db2.gz UNKRAHGXSLLHSP-UHFFFAOYSA-N -2 3 391.427 3.681 20 0 GHADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC001590319911 989759141 /nfs/dbraw/zinc/75/91/41/989759141.db2.gz QNVWWEZMVWZQIA-UHFFFAOYSA-N -2 3 381.385 3.580 20 0 GHADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001591265932 992175209 /nfs/dbraw/zinc/17/52/09/992175209.db2.gz GQUNASPUDQDMMH-UHFFFAOYSA-N -2 3 398.868 3.659 20 0 GHADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000576477949 1020019551 /nfs/dbraw/zinc/01/95/51/1020019551.db2.gz JRKFGXSKMDFSCP-PWSUYJOCSA-N -2 3 380.293 3.695 20 0 GHADHL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)cc1 ZINC000647923819 1021152261 /nfs/dbraw/zinc/15/22/61/1021152261.db2.gz SDSZFQDIRUZSIY-UHFFFAOYSA-N -2 3 397.452 3.623 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1C(F)(F)F ZINC000677233374 1021805269 /nfs/dbraw/zinc/80/52/69/1021805269.db2.gz NTZYRMXMORSMEX-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c(F)cc1Cl ZINC001259214003 1045014041 /nfs/dbraw/zinc/01/40/41/1045014041.db2.gz XQYAXGLLASVTJU-UHFFFAOYSA-N -2 3 399.614 3.680 20 0 GHADHL CC(C)(C)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC001260228685 1045421114 /nfs/dbraw/zinc/42/11/14/1045421114.db2.gz SFSXFRPIIPYWEW-UHFFFAOYSA-N -2 3 381.425 3.750 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1[S-] ZINC001261020055 1045845019 /nfs/dbraw/zinc/84/50/19/1045845019.db2.gz PATHLAXEFPBKNM-UHFFFAOYSA-N -2 3 381.372 3.943 20 0 GHADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)c1)CCC2 ZINC000071974105 222201958 /nfs/dbraw/zinc/20/19/58/222201958.db2.gz OUYDEURKWNHQSG-UHFFFAOYSA-N -2 3 386.256 3.981 20 0 GHADHL CCc1cc2c(CNc3ccc(CN(C)C(=O)[O-])cc3)cc(=O)oc2cc1[O-] ZINC000737252261 600325964 /nfs/dbraw/zinc/32/59/64/600325964.db2.gz JZGMQYQVDZTHAV-UHFFFAOYSA-N -2 3 382.416 3.783 20 0 GHADHL C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000547940958 601128480 /nfs/dbraw/zinc/12/84/80/601128480.db2.gz GDDYLLZDEXXQOC-QPUJVOFHSA-N -2 3 394.301 3.795 20 0 GHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000326873390 601828519 /nfs/dbraw/zinc/82/85/19/601828519.db2.gz ZUHTVKUIMZMFFO-UHFFFAOYSA-N -2 3 383.853 3.935 20 0 GHADHL O=S(=O)([N-]c1csc2ccccc12)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826493061 609424097 /nfs/dbraw/zinc/42/40/97/609424097.db2.gz QTVPTZMUNRQOLL-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL O=S(=O)([N-]c1csc2ccccc12)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826493061 609424098 /nfs/dbraw/zinc/42/40/98/609424098.db2.gz QTVPTZMUNRQOLL-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL CC(C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000584442422 834624251 /nfs/dbraw/zinc/62/42/51/834624251.db2.gz MIPAPYXPWHEHKV-NSXXKTIASA-N -2 3 376.359 3.836 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(Br)c(C)c(C(=O)[O-])c2)c(C)c1 ZINC000390284405 841210835 /nfs/dbraw/zinc/21/08/35/841210835.db2.gz UVOBOQJFOWQZGC-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCc1ccccc1C(=O)[O-] ZINC000548266771 842341811 /nfs/dbraw/zinc/34/18/11/842341811.db2.gz GDUIJLYLYFUOHG-UHFFFAOYSA-N -2 3 393.848 3.614 20 0 GHADHL O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000500530424 843595844 /nfs/dbraw/zinc/59/58/44/843595844.db2.gz XBTZOYSWJBWNIR-UHFFFAOYSA-N -2 3 375.306 3.617 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c(C)c1C(=O)[O-] ZINC000512743092 845283152 /nfs/dbraw/zinc/28/31/52/845283152.db2.gz UUSXXZOFUUQFRA-UHFFFAOYSA-N -2 3 389.351 3.543 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(C)c1 ZINC000519201782 850752509 /nfs/dbraw/zinc/75/25/09/850752509.db2.gz GMPIJDQVEIPITL-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1C(=O)[O-] ZINC000505318707 850829262 /nfs/dbraw/zinc/82/92/62/850829262.db2.gz VQURFXUTBFSISA-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL O=C([O-])C[C@H](c1ccccc1)C1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000910032232 850953494 /nfs/dbraw/zinc/95/34/94/850953494.db2.gz LQIGDGIZKAQSMZ-GOSISDBHSA-N -2 3 385.435 3.571 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1C(=O)[O-] ZINC000438714094 852761375 /nfs/dbraw/zinc/76/13/75/852761375.db2.gz DKCPXNZAGRWIIJ-UHFFFAOYSA-N -2 3 377.462 3.919 20 0 GHADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)c1 ZINC000604738257 862456865 /nfs/dbraw/zinc/45/68/65/862456865.db2.gz SBAMBLGAQZZCKN-UHFFFAOYSA-N -2 3 375.446 3.897 20 0 GHADHL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000320672964 856278006 /nfs/dbraw/zinc/27/80/06/856278006.db2.gz JXKCVXYMNLUAGP-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL COc1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)cc1C(=O)[O-] ZINC000485270001 856298434 /nfs/dbraw/zinc/29/84/34/856298434.db2.gz JPRHXTUWLDYOBS-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC)c2CC)cc1C(=O)[O-] ZINC000486079287 857537274 /nfs/dbraw/zinc/53/72/74/857537274.db2.gz IFHPOFDWNWMOJP-UHFFFAOYSA-N -2 3 377.462 3.709 20 0 GHADHL Cc1nc(-c2ccccc2)sc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738832478 859508492 /nfs/dbraw/zinc/50/84/92/859508492.db2.gz QDAUWLYCNKWLBE-UHFFFAOYSA-N -2 3 388.474 3.630 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000071975235 864268772 /nfs/dbraw/zinc/26/87/72/864268772.db2.gz RCQDCUWWIRMOFG-UHFFFAOYSA-N -2 3 389.260 3.637 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC001192647905 870553862 /nfs/dbraw/zinc/55/38/62/870553862.db2.gz CPPTXPPAUZBLSE-UHFFFAOYSA-N -2 3 377.462 3.783 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(C)c(C)s3)c2)n1 ZINC000540212302 870747337 /nfs/dbraw/zinc/74/73/37/870747337.db2.gz WUGNGMLDWAGYOE-UHFFFAOYSA-N -2 3 389.502 3.891 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1C ZINC000766584221 871190891 /nfs/dbraw/zinc/19/08/91/871190891.db2.gz JDFLLEALHKKVPW-UHFFFAOYSA-N -2 3 387.816 3.604 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c(Cl)cc1F ZINC001194002324 871424163 /nfs/dbraw/zinc/42/41/63/871424163.db2.gz STBCSFAYBCHWMC-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL C[C@]12C[C@@H]3C[C@]([N-]S(=O)(=O)c4cc(C(=O)[O-])c(F)cc4F)(C1)C[C@@](C)(C3)C2 ZINC001195260304 872290035 /nfs/dbraw/zinc/29/00/35/872290035.db2.gz VRIICWLGSFZLKJ-WGIUMSAGSA-N -2 3 399.459 3.690 20 0 GHADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC001195410603 872369824 /nfs/dbraw/zinc/36/98/24/872369824.db2.gz YDUUUIYDHWDDNZ-UHFFFAOYSA-N -2 3 392.175 3.941 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1Br ZINC000182495466 872434041 /nfs/dbraw/zinc/43/40/41/872434041.db2.gz BWUXIKIBRBXTGJ-UHFFFAOYSA-N -2 3 392.658 3.618 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)ccc1OC(C)C ZINC000463797305 872583438 /nfs/dbraw/zinc/58/34/38/872583438.db2.gz GUZIJBCSEBQVBB-UHFFFAOYSA-N -2 3 393.461 3.598 20 0 GHADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000542237567 875202562 /nfs/dbraw/zinc/20/25/62/875202562.db2.gz IIRMCAPDWBQGCQ-ZDUSSCGKSA-N -2 3 389.473 3.779 20 0 GHADHL Cc1ccc([O-])c(NC(=O)c2ccccc2COc2ccc(CC(=O)[O-])cc2)n1 ZINC001183734685 912762628 /nfs/dbraw/zinc/76/26/28/912762628.db2.gz FTOCOXCFYLFUHS-UHFFFAOYSA-N -2 3 392.411 3.554 20 0 GHADHL CC(=O)c1cccc([O-])c1NC(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184116910 913035991 /nfs/dbraw/zinc/03/59/91/913035991.db2.gz MBFPBLPBNOSQOO-UHFFFAOYSA-N -2 3 387.819 3.809 20 0 GHADHL COc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1OCc1ccc(F)cc1 ZINC000670369881 891806983 /nfs/dbraw/zinc/80/69/83/891806983.db2.gz HZJNIJGDJXYQHP-UITAMQMPSA-N -2 3 396.374 3.778 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(OC)c(C)c1C ZINC000578547548 903950857 /nfs/dbraw/zinc/95/08/57/903950857.db2.gz RWEYLYZHBCFHGV-UHFFFAOYSA-N -2 3 377.462 3.682 20 0 GHADHL CSCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000773981287 911222797 /nfs/dbraw/zinc/22/27/97/911222797.db2.gz BOMQGCPMTGNJJI-UHFFFAOYSA-N -2 3 386.322 3.503 20 0 GHADHL CCOC(=O)C(=Cc1cccc(C(=O)[O-])c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000774114328 911403230 /nfs/dbraw/zinc/40/32/30/911403230.db2.gz ISZXOTZYDRRFHH-NTEUORMPSA-N -2 3 398.440 3.816 20 0 GHADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccsc2Br)c1 ZINC001187554428 915349781 /nfs/dbraw/zinc/34/97/81/915349781.db2.gz MPSKHTPVFDJULR-UHFFFAOYSA-N -2 3 396.671 3.663 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(F)c(F)c1)c1ccc(Br)c(Cl)c1 ZINC001189171018 916469699 /nfs/dbraw/zinc/46/96/99/916469699.db2.gz GYJZBHNHBPWZFK-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2SC(F)(F)F)c1 ZINC000751211114 928074855 /nfs/dbraw/zinc/07/48/55/928074855.db2.gz MTKUMBFTDVMFAP-UHFFFAOYSA-N -3 3 393.364 3.503 20 0 GHADHL O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)c1cc([O-])c2ccccc2c1 ZINC000558563903 932076572 /nfs/dbraw/zinc/07/65/72/932076572.db2.gz YYSAAYFOMZURJE-UHFFFAOYSA-N -2 3 397.406 3.940 20 0 GHADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000515261281 974297589 /nfs/dbraw/zinc/29/75/89/974297589.db2.gz XOPMPQIQVWJUOJ-UHFFFAOYSA-N -2 3 378.208 3.560 20 0 GHADHL CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)(C)c1ccccc1 ZINC001595313348 980477138 /nfs/dbraw/zinc/47/71/38/980477138.db2.gz OXEGSQFZODVFQR-HNNXBMFYSA-N -2 3 397.443 3.698 20 0 GHADHL CCCCCC[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001595697972 982247620 /nfs/dbraw/zinc/24/76/20/982247620.db2.gz OKEAHVIINGQPSL-SECBINFHSA-N -2 3 398.344 3.846 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1Cl ZINC001595966834 983174837 /nfs/dbraw/zinc/17/48/37/983174837.db2.gz SMHKCUWMSFAYRV-UHFFFAOYSA-N -2 3 383.853 3.936 20 0 GHADHL CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)cc1F ZINC001590409592 989947407 /nfs/dbraw/zinc/94/74/07/989947407.db2.gz WHTCMUCZZAPAKI-UHFFFAOYSA-N -2 3 391.436 3.529 20 0 GHADHL CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001590968365 991089836 /nfs/dbraw/zinc/08/98/36/991089836.db2.gz QLPBSJRAFOGEAA-QGZVFWFLSA-N -2 3 385.869 3.567 20 0 GHADHL CC(C)Cc1ccc([C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C(C)C)cc1 ZINC001591484870 992613120 /nfs/dbraw/zinc/61/31/20/992613120.db2.gz VRNPWMNEQYTDAI-INIZCTEOSA-N -2 3 396.534 3.715 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1OC(C)C ZINC000545474283 1015913323 /nfs/dbraw/zinc/91/33/23/1015913323.db2.gz MJGKQXUIUQOAMC-UHFFFAOYSA-N -2 3 393.461 3.598 20 0 GHADHL CC1(C)CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@@H](c2ccccc2)C1 ZINC001593882462 996713971 /nfs/dbraw/zinc/71/39/71/996713971.db2.gz SMLXJAHGWYAFSG-CVEARBPZSA-N -2 3 377.462 3.619 20 0 GHADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC001599383776 996907042 /nfs/dbraw/zinc/90/70/42/996907042.db2.gz LUXLUVNCCOGSSB-UHFFFAOYSA-N -2 3 391.779 3.785 20 0 GHADHL COCc1nc(C(=O)[N-]c2ccc(Cl)cc2SCCC(=O)[O-])cs1 ZINC001599299469 997205427 /nfs/dbraw/zinc/20/54/27/997205427.db2.gz UINZYEGTXARREN-UHFFFAOYSA-N -2 3 386.882 3.762 20 0 GHADHL COc1ccc([C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C(=O)[O-])cc1 ZINC001599525300 997548453 /nfs/dbraw/zinc/54/84/53/997548453.db2.gz QBDIPPYYUGRYPN-FQEVSTJZSA-N -2 3 393.395 3.749 20 0 GHADHL Cc1c(=O)[n-]n(-c2ccccc2)c1NC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001163116262 1026052546 /nfs/dbraw/zinc/05/25/46/1026052546.db2.gz OIRDGHVNCAWUHD-UHFFFAOYSA-N -2 3 383.811 3.780 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1C(=O)[O-] ZINC000840813401 1027852652 /nfs/dbraw/zinc/85/26/52/1027852652.db2.gz NTOPSVKXTAAJAL-UHFFFAOYSA-N -2 3 391.445 3.516 20 0 GHADHL Cc1ncc(Cl)cc1-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215474117 1029230871 /nfs/dbraw/zinc/23/08/71/1029230871.db2.gz WOXUYVAOWYOBHJ-UHFFFAOYSA-N -2 3 382.601 3.934 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)cc(C)c1C(=O)[O-] ZINC001216311615 1029602694 /nfs/dbraw/zinc/60/26/94/1029602694.db2.gz MKDXCQGWTMLJTO-UHFFFAOYSA-N -2 3 389.260 3.691 20 0 GHADHL CO[C@H]1CCCC[C@@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1 ZINC001225629209 1031517456 /nfs/dbraw/zinc/51/74/56/1031517456.db2.gz VOBKDPYHJIFSQA-IRXDYDNUSA-N -2 3 398.411 3.913 20 0 GHADHL CCCOC(=O)[C@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001229771845 1033701997 /nfs/dbraw/zinc/70/19/97/1033701997.db2.gz RLSFCIQETDLKCH-LBPRGKRZSA-N -2 3 384.384 3.592 20 0 GHADHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3[S-])cc2o1 ZINC001259383605 1045112904 /nfs/dbraw/zinc/11/29/04/1045112904.db2.gz JNXLJQHXILYCJC-UHFFFAOYSA-N -2 3 390.364 3.642 20 0 GHADHL Cc1cccc(CS(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2[O-])c1 ZINC001259750108 1045285882 /nfs/dbraw/zinc/28/58/82/1045285882.db2.gz IVYHCIQORWJQJJ-UHFFFAOYSA-N -2 3 377.462 3.598 20 0 GHADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[S-])c1 ZINC001260843479 1045708985 /nfs/dbraw/zinc/70/89/85/1045708985.db2.gz SFUQDPPPZMGKCS-UHFFFAOYSA-N -2 3 391.392 3.582 20 0 GHADHL Cc1nn(C)c2ccc([N-]S(=O)(=O)c3cc(Cl)c([O-])c(Cl)c3)cc12 ZINC001260875886 1045731063 /nfs/dbraw/zinc/73/10/63/1045731063.db2.gz DPQCBSRAVPQEER-UHFFFAOYSA-N -2 3 386.260 3.695 20 0 GHADHL COC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)ccc1C ZINC001260876177 1045733260 /nfs/dbraw/zinc/73/32/60/1045733260.db2.gz TYYAJMLDPWVYCT-UHFFFAOYSA-N -2 3 390.244 3.595 20 0 GHADHL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000436477877 450602399 /nfs/dbraw/zinc/60/23/99/450602399.db2.gz NNMZWEXCONPWST-UHFFFAOYSA-N -2 3 376.659 3.917 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000466274101 600545684 /nfs/dbraw/zinc/54/56/84/600545684.db2.gz SIGGUBZQQWIDSJ-UHFFFAOYSA-N -2 3 389.473 3.953 20 0 GHADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc2)nc1 ZINC000733251404 600628809 /nfs/dbraw/zinc/62/88/09/600628809.db2.gz NUMGEUSSGBRYRT-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000523874125 600814732 /nfs/dbraw/zinc/81/47/32/600814732.db2.gz IHKLLVYHPACHHY-UHFFFAOYSA-N -2 3 382.441 3.864 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000328101018 600891214 /nfs/dbraw/zinc/89/12/14/600891214.db2.gz WQTAOXIYCXONEP-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)cc1 ZINC000583834149 835111303 /nfs/dbraw/zinc/11/13/03/835111303.db2.gz WHTXYTQTYRDALO-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1C(=O)[O-] ZINC000414179662 836424656 /nfs/dbraw/zinc/42/46/56/836424656.db2.gz LLGXBWZSUZCHOQ-UHFFFAOYSA-N -2 3 393.461 3.635 20 0 GHADHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000109766312 836584738 /nfs/dbraw/zinc/58/47/38/836584738.db2.gz ROMGKQUUIXVZGZ-UHFFFAOYSA-N -2 3 390.244 3.566 20 0 GHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000548207926 842164195 /nfs/dbraw/zinc/16/41/95/842164195.db2.gz VWBMMQBSQXKYIP-UHFFFAOYSA-N -2 3 377.462 3.837 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)ccc1C(=O)[O-] ZINC000432779471 843806167 /nfs/dbraw/zinc/80/61/67/843806167.db2.gz KLMIVRMSPDOLFY-UHFFFAOYSA-N -2 3 393.461 3.635 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccsc1 ZINC000548589009 845692154 /nfs/dbraw/zinc/69/21/54/845692154.db2.gz YZIJXXAXTDJJJB-ZDUSSCGKSA-N -2 3 385.850 3.560 20 0 GHADHL CSc1cc(Br)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504733083 850262231 /nfs/dbraw/zinc/26/22/31/850262231.db2.gz SZMPGXMTQAYVDA-XQRVVYSFSA-N -2 3 395.278 3.773 20 0 GHADHL Cc1nc(C=Cc2cc(Cl)ccc2OC(F)F)[n-]c(=O)c1CCC(=O)[O-] ZINC000195503527 856437440 /nfs/dbraw/zinc/43/74/40/856437440.db2.gz JHTYVOHRVVXEKC-QHHAFSJGSA-N -2 3 384.766 3.521 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1C(=O)[O-] ZINC000063849302 857667178 /nfs/dbraw/zinc/66/71/78/857667178.db2.gz IUILAFQOSOXNRZ-UHFFFAOYSA-N -2 3 377.462 3.727 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCCCC(=O)[O-] ZINC000522399923 859355827 /nfs/dbraw/zinc/35/58/27/859355827.db2.gz CUQVDBDXSVTFBZ-UHFFFAOYSA-N -2 3 383.853 3.693 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000555422256 860853938 /nfs/dbraw/zinc/85/39/38/860853938.db2.gz PMGYWXNDNHVXFR-UHFFFAOYSA-N -2 3 389.351 3.603 20 0 GHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1 ZINC000793379478 882141660 /nfs/dbraw/zinc/14/16/60/882141660.db2.gz COMNCAICKMETQI-GFCCVEGCSA-N -2 3 381.425 3.810 20 0 GHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1 ZINC000539109440 871367618 /nfs/dbraw/zinc/36/76/18/871367618.db2.gz RELVJDUWEHGNNM-UHFFFAOYSA-N -2 3 377.462 3.682 20 0 GHADHL O=P([O-])([O-])CCCCNC(=S)Nc1c(Cl)cc(Cl)cc1Cl ZINC001196898399 873465937 /nfs/dbraw/zinc/46/59/37/873465937.db2.gz VEFBTVMMEPLXKS-UHFFFAOYSA-N -2 3 391.644 3.891 20 0 GHADHL O=P([O-])([O-])CCCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001197480148 873829177 /nfs/dbraw/zinc/82/91/77/873829177.db2.gz YAWDYHDEMCBPLW-UHFFFAOYSA-N -2 3 390.751 3.603 20 0 GHADHL O=C(Nc1cccc(F)c1[O-])[C@H]1CC[C@H](C(=O)Nc2cccc(F)c2[O-])CC1 ZINC000530007159 876963060 /nfs/dbraw/zinc/96/30/60/876963060.db2.gz YVKHNIACFQZCOK-HAQNSBGRSA-N -2 3 390.386 3.760 20 0 GHADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000551998029 878132785 /nfs/dbraw/zinc/13/27/85/878132785.db2.gz LRZOWEUULVUYGG-OCCSQVGLSA-N -2 3 399.818 3.671 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2)c1Cl ZINC000917729877 892475325 /nfs/dbraw/zinc/47/53/25/892475325.db2.gz OZDJIRKJMJJTLI-ZDUSSCGKSA-N -2 3 388.272 3.796 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1 ZINC000537197863 894527700 /nfs/dbraw/zinc/52/77/00/894527700.db2.gz HYSXEMKDKHDIKR-UHFFFAOYSA-N -2 3 375.368 3.697 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1C(F)(F)F ZINC001185869343 914158039 /nfs/dbraw/zinc/15/80/39/914158039.db2.gz ZHJCVSUCMCOCKR-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1Cl ZINC001185876543 914169982 /nfs/dbraw/zinc/16/99/82/914169982.db2.gz SUWSSRPHOQMBDK-UHFFFAOYSA-N -2 3 394.758 3.561 20 0 GHADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000569185443 898399459 /nfs/dbraw/zinc/39/94/59/898399459.db2.gz LAOFEGGHTCMXNI-NSHDSACASA-N -2 3 382.309 3.943 20 0 GHADHL O=C(Nc1cccc(F)c1[O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000628960006 906393707 /nfs/dbraw/zinc/39/37/07/906393707.db2.gz PKZHSRFXUMCLAO-RYUDHWBXSA-N -2 3 390.386 3.760 20 0 GHADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2Cl)c1 ZINC001187581553 915375443 /nfs/dbraw/zinc/37/54/43/915375443.db2.gz MOSZNWXXOCFXQK-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(F)cc1Cl ZINC001188314541 915882659 /nfs/dbraw/zinc/88/26/59/915882659.db2.gz OYEQODWUVUOYRE-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1Br ZINC000678479253 924792018 /nfs/dbraw/zinc/79/20/18/924792018.db2.gz SBDYYISODFSPCZ-UHFFFAOYSA-N -2 3 396.262 3.826 20 0 GHADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000544552607 929282063 /nfs/dbraw/zinc/28/20/63/929282063.db2.gz YBEQOZOUFVHDJP-UHFFFAOYSA-N -2 3 387.779 3.552 20 0 GHADHL O=C([O-])c1ccc(Br)c(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000325927135 951095645 /nfs/dbraw/zinc/09/56/45/951095645.db2.gz TYFXYRSPVWNNHS-UHFFFAOYSA-N -2 3 387.189 3.653 20 0 GHADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000400670287 973307326 /nfs/dbraw/zinc/30/73/26/973307326.db2.gz VFBPHKRIXNRGTA-KWQFWETISA-N -2 3 387.807 3.527 20 0 GHADHL CC(C)c1ccc(C(=O)N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)c([O-])c1 ZINC001591941858 976462825 /nfs/dbraw/zinc/46/28/25/976462825.db2.gz GUCUKLTWNCYIMV-UHFFFAOYSA-N -2 3 388.489 3.765 20 0 GHADHL C[C@@](CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001592694240 979147367 /nfs/dbraw/zinc/14/73/67/979147367.db2.gz OLMKRSZISSJEOP-QHCPKHFHSA-N -2 3 391.423 3.957 20 0 GHADHL CC[C@@]([N-]C(=O)C(F)(F)c1cccc(OC)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232857 980128143 /nfs/dbraw/zinc/12/81/43/980128143.db2.gz KLWYSSHGNKPGBX-SFHVURJKSA-N -2 3 397.805 3.947 20 0 GHADHL CCCC[C@H](OC(=O)c1n[n-]c(-c2ccccc2)c1Br)C(=O)[O-] ZINC001595650599 982011356 /nfs/dbraw/zinc/01/13/56/982011356.db2.gz JQTXFAPDZYHGNC-NSHDSACASA-N -2 3 381.226 3.639 20 0 GHADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC001594952986 982676165 /nfs/dbraw/zinc/67/61/65/982676165.db2.gz PGDUETGBOULWFD-LDYMZIIASA-N -2 3 387.807 3.527 20 0 GHADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CCC(F)(F)CC1 ZINC001593331177 994899801 /nfs/dbraw/zinc/89/98/01/994899801.db2.gz SOERDUPLAOMUBI-MRVPVSSYSA-N -2 3 399.818 3.670 20 0 GHADHL CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H](c2ccccc2)C1 ZINC001593882352 996713446 /nfs/dbraw/zinc/71/34/46/996713446.db2.gz SFQWWPHOAJXZQT-LSDHHAIUSA-N -2 3 377.462 3.619 20 0 GHADHL C[C@@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001594363880 999374316 /nfs/dbraw/zinc/37/43/16/999374316.db2.gz NLIQYIAPUZDJHE-MNOVXSKESA-N -2 3 377.865 3.672 20 0 GHADHL CC(=Nc1cc(S(=O)(=O)c2ccc([O-])c(N)c2)ccc1[O-])c1ccccc1 ZINC001210988001 1027739882 /nfs/dbraw/zinc/73/98/82/1027739882.db2.gz ZFCVIIHKXDDPPU-UHFFFAOYSA-N -2 3 382.441 3.596 20 0 GHADHL [O-]c1cc([O-])c(-c2nc(-c3cc(F)cc(F)c3F)no2)cc1Br ZINC001215471498 1029226897 /nfs/dbraw/zinc/22/68/97/1029226897.db2.gz ZOOAYNOUYIXAFQ-UHFFFAOYSA-N -2 3 387.111 3.995 20 0 GHADHL CC(=O)c1ccc(-c2noc(-c3cc([O-])c(Br)c([O-])c3)n2)c(F)c1 ZINC001215473196 1029228377 /nfs/dbraw/zinc/22/83/77/1029228377.db2.gz DPNONXWIZYFZTR-UHFFFAOYSA-N -2 3 393.168 3.919 20 0 GHADHL COC(=O)c1cccc2c(C(=O)Nc3ccc4[n-]c(=S)sc4c3)[n-]nc21 ZINC001154147127 1031951206 /nfs/dbraw/zinc/95/12/06/1031951206.db2.gz OXJODCGICOXKPY-UHFFFAOYSA-N -2 3 384.442 3.500 20 0 GHADHL COC(=O)c1cccc2c(C(=O)Nc3ccc4[n-]c(=S)sc4c3)n[n-]c21 ZINC001154147127 1031951211 /nfs/dbraw/zinc/95/12/11/1031951211.db2.gz OXJODCGICOXKPY-UHFFFAOYSA-N -2 3 384.442 3.500 20 0 GHADHL O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240785681 1042954306 /nfs/dbraw/zinc/95/43/06/1042954306.db2.gz APDUTWRZDHMFSA-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL O=c1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)n(C2CCCC2)[n-]1 ZINC001257442194 1043999626 /nfs/dbraw/zinc/99/96/26/1043999626.db2.gz HZDNHNXJCNQXNX-UHFFFAOYSA-N -2 3 382.294 3.873 20 0 GHADHL CCC(CC)Oc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228596 1045420995 /nfs/dbraw/zinc/42/09/95/1045420995.db2.gz NRNXPFIXJSGVJG-UHFFFAOYSA-N -2 3 381.425 3.892 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c1Br ZINC001260228573 1045421142 /nfs/dbraw/zinc/42/11/42/1045421142.db2.gz MEKBSZYNFVVDCZ-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL COCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC001260866600 1045723548 /nfs/dbraw/zinc/72/35/48/1045723548.db2.gz CCPHNNCGVXGJPO-UHFFFAOYSA-N -2 3 392.260 3.525 20 0 GHADHL O=C(Nc1cccc([O-])c1F)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001446242748 1059733772 /nfs/dbraw/zinc/73/37/72/1059733772.db2.gz VEPVSAUSMPFTHV-UHFFFAOYSA-N -2 3 382.269 3.524 20 0 GHADHL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001453767260 1061202293 /nfs/dbraw/zinc/20/22/93/1061202293.db2.gz HRADOBKDWWLNIQ-UHFFFAOYSA-N -2 3 390.848 3.823 20 0 GHADHL O=C(Nc1cc(Cl)ccc1[O-])c1cc(I)ccc1[O-] ZINC001466257706 1066059547 /nfs/dbraw/zinc/05/95/47/1066059547.db2.gz JIALDYCWMAQXBD-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL O=S(=O)([N-]c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cccs1 ZINC000738342774 598283592 /nfs/dbraw/zinc/28/35/92/598283592.db2.gz PXXOEMIEPMBYAF-UHFFFAOYSA-N -2 3 399.457 3.521 20 0 GHADHL CCOc1cc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000737192665 599802012 /nfs/dbraw/zinc/80/20/12/599802012.db2.gz XCUWVCJUAVYQFO-UTCJRWHESA-N -2 3 386.791 3.962 20 0 GHADHL O=C([O-])[C@@H](OC(=O)c1cccc(Br)c1[O-])c1cccc(Cl)c1 ZINC000740300992 600330418 /nfs/dbraw/zinc/33/04/18/600330418.db2.gz YUTWKHHPOJWREM-ZDUSSCGKSA-N -2 3 385.597 3.791 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1Cl ZINC000738654658 600489089 /nfs/dbraw/zinc/48/90/89/600489089.db2.gz DHTQLDONWRIYLM-UHFFFAOYSA-N -2 3 383.853 3.693 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1C(=O)[O-] ZINC000024102199 600808603 /nfs/dbraw/zinc/80/86/03/600808603.db2.gz LSKZMLLRVKPSED-UHFFFAOYSA-N -2 3 389.429 3.536 20 0 GHADHL C[C@@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000547940956 601128516 /nfs/dbraw/zinc/12/85/16/601128516.db2.gz GDDYLLZDEXXQOC-PELKAZGASA-N -2 3 394.301 3.795 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)ccc1C(=O)[O-] ZINC000507905296 601617824 /nfs/dbraw/zinc/61/78/24/601617824.db2.gz XGVKWHJCYIZHAU-UHFFFAOYSA-N -2 3 387.379 3.989 20 0 GHADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000484971229 601830520 /nfs/dbraw/zinc/83/05/20/601830520.db2.gz OGCWERZBHCFXTA-UHFFFAOYSA-N -2 3 389.473 3.563 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc(F)c1F ZINC000751142153 601840653 /nfs/dbraw/zinc/84/06/53/601840653.db2.gz HMHQCGYJDGBDLL-UHFFFAOYSA-N -2 3 399.268 3.622 20 0 GHADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000484532739 601987070 /nfs/dbraw/zinc/98/70/70/601987070.db2.gz QTZCIWZZNIVYAF-UHFFFAOYSA-N -2 3 397.452 3.694 20 0 GHADHL O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000826420798 608387244 /nfs/dbraw/zinc/38/72/44/608387244.db2.gz CURFKAAZLUXTAE-UHFFFAOYSA-N -2 3 396.259 3.610 20 0 GHADHL O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000826420798 608387246 /nfs/dbraw/zinc/38/72/46/608387246.db2.gz CURFKAAZLUXTAE-UHFFFAOYSA-N -2 3 396.259 3.610 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(Br)cc1C ZINC000046015389 836498705 /nfs/dbraw/zinc/49/87/05/836498705.db2.gz BZTBHAOFHMIIDX-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000548290735 842428213 /nfs/dbraw/zinc/42/82/13/842428213.db2.gz DVOHUTMPIODTII-MRVPVSSYSA-N -2 3 387.807 3.527 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2C)ccc1C(=O)[O-] ZINC000471919707 843525967 /nfs/dbraw/zinc/52/59/67/843525967.db2.gz QBZRXHBTDHETKS-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c(C)c1 ZINC000548535948 845399389 /nfs/dbraw/zinc/39/93/89/845399389.db2.gz SOJXJPAQCOBNIN-UHFFFAOYSA-N -2 3 383.853 3.773 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)c(C)c1C(=O)[O-] ZINC000512770598 845468245 /nfs/dbraw/zinc/46/82/45/845468245.db2.gz FUPAETBRIHXQBE-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000504680972 850234323 /nfs/dbraw/zinc/23/43/23/850234323.db2.gz QTJZFPJIMGEFSN-UHFFFAOYSA-N -2 3 377.462 3.539 20 0 GHADHL O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000436538562 852048515 /nfs/dbraw/zinc/04/85/15/852048515.db2.gz WFMHKRNCTCFZBG-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)n2)cc1 ZINC000436933886 852516699 /nfs/dbraw/zinc/51/66/99/852516699.db2.gz VSLPMWVHZXAQEW-UHFFFAOYSA-N -2 3 393.321 3.563 20 0 GHADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2[O-])no1 ZINC000507888865 856630978 /nfs/dbraw/zinc/63/09/78/856630978.db2.gz NJBRXINJKXGTDC-UHFFFAOYSA-N -2 3 394.371 3.518 20 0 GHADHL Cc1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)sc1Br ZINC000443449472 858685143 /nfs/dbraw/zinc/68/51/43/858685143.db2.gz BNCFWAOCFSGFSH-HWKANZROSA-N -2 3 383.267 3.811 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1C(=O)[O-] ZINC000068076322 858874385 /nfs/dbraw/zinc/87/43/85/858874385.db2.gz QLXXOSVCZMSLSM-UHFFFAOYSA-N -2 3 393.461 3.509 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1C(=O)[O-] ZINC000327300465 859703829 /nfs/dbraw/zinc/70/38/29/859703829.db2.gz LFLLRJAOQVCBHS-UHFFFAOYSA-N -2 3 391.779 3.749 20 0 GHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(SC(F)F)c1 ZINC000727362644 860064826 /nfs/dbraw/zinc/06/48/26/860064826.db2.gz GFWHGCHIMGTAMF-UHFFFAOYSA-N -2 3 389.401 3.514 20 0 GHADHL O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(Cl)c(Cl)c1[O-] ZINC000730359316 861056957 /nfs/dbraw/zinc/05/69/57/861056957.db2.gz JHUBPYJWQKSMQQ-UHFFFAOYSA-N -2 3 381.167 3.868 20 0 GHADHL CC[C@H](C)CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000480603256 864958465 /nfs/dbraw/zinc/95/84/65/864958465.db2.gz BZECTJXTZAYFPK-ZDUSSCGKSA-N -2 3 392.477 3.576 20 0 GHADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl)c1nc(C)cs1 ZINC000185007770 865112307 /nfs/dbraw/zinc/11/23/07/865112307.db2.gz JGVKOWNJRPJWLX-NSHDSACASA-N -2 3 388.898 3.541 20 0 GHADHL CCOC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c([O-])c1 ZINC000736421313 865203090 /nfs/dbraw/zinc/20/30/90/865203090.db2.gz RJWRJIKDLLNCLF-MDZDMXLPSA-N -2 3 381.837 3.635 20 0 GHADHL O=C(Nc1c([O-])cccc1F)[C@H]1CCC[C@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000608367032 865265038 /nfs/dbraw/zinc/26/50/38/865265038.db2.gz RUCSASXSGXULSJ-RYUDHWBXSA-N -2 3 390.386 3.760 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)c(C)c1OCC(=O)[O-] ZINC000523590656 867594987 /nfs/dbraw/zinc/59/49/87/867594987.db2.gz XLQGHOYMESHOOA-UHFFFAOYSA-N -2 3 391.489 3.865 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)c(F)c1 ZINC000479509461 867929067 /nfs/dbraw/zinc/92/90/67/867929067.db2.gz IVYWQUNZKVTNFL-UHFFFAOYSA-N -2 3 399.399 3.556 20 0 GHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)c1C ZINC000525017185 869895600 /nfs/dbraw/zinc/89/56/00/869895600.db2.gz JSKXZCXMQFHMFQ-UHFFFAOYSA-N -2 3 377.462 3.980 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(C)C)c2)cc1C(=O)[O-] ZINC001192649085 870555713 /nfs/dbraw/zinc/55/57/13/870555713.db2.gz SJSYUSKCFORLKM-UHFFFAOYSA-N -2 3 377.462 3.783 20 0 GHADHL CCSCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1 ZINC000451106005 877365987 /nfs/dbraw/zinc/36/59/87/877365987.db2.gz KRCWTABTEMCLSZ-UHFFFAOYSA-N -2 3 395.502 3.512 20 0 GHADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000776539864 877858323 /nfs/dbraw/zinc/85/83/23/877858323.db2.gz YWLLJWXKBLVNKO-UHFFFAOYSA-N -2 3 388.228 3.695 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc(C(=O)[O-])c1C ZINC000531854253 880612275 /nfs/dbraw/zinc/61/22/75/880612275.db2.gz CARZLMZXLBTCMT-UHFFFAOYSA-N -2 3 377.462 3.898 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cccc(Br)c1Cl ZINC000551110049 883293280 /nfs/dbraw/zinc/29/32/80/883293280.db2.gz PWYMWDXWKDQEIO-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL CC[C@H]1CCc2c(sc3[n-]c(COc4ccccc4C(=O)[O-])nc(=O)c23)C1 ZINC000194399240 883803592 /nfs/dbraw/zinc/80/35/92/883803592.db2.gz OGWGNKOHPBQKKU-NSHDSACASA-N -2 3 384.457 3.777 20 0 GHADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000476259099 884345614 /nfs/dbraw/zinc/34/56/14/884345614.db2.gz LNCYSDDJIHQNHA-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1C(=O)[O-] ZINC000131950430 886614680 /nfs/dbraw/zinc/61/46/80/886614680.db2.gz KLUDFKDAHOTZHU-UHFFFAOYSA-N -2 3 387.379 3.989 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000124167677 889530650 /nfs/dbraw/zinc/53/06/50/889530650.db2.gz YGNPIOPUEZZJOA-UHFFFAOYSA-N -2 3 389.864 3.508 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)cc1Br ZINC001184695935 913362102 /nfs/dbraw/zinc/36/21/02/913362102.db2.gz OOHYZSIVMRXMGC-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccsc3)cc2)cc1C(=O)[O-] ZINC001185315174 913802373 /nfs/dbraw/zinc/80/23/73/913802373.db2.gz YAEQAIPZWYFALO-UHFFFAOYSA-N -2 3 389.454 3.923 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2C)cc1C(=O)[O-] ZINC001185310428 913798962 /nfs/dbraw/zinc/79/89/62/913798962.db2.gz IDPITQVNHKUMDN-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(Cl)ncc3ccccc32)ccc1F ZINC001186143720 914327736 /nfs/dbraw/zinc/32/77/36/914327736.db2.gz RGFRDJXBZHXTRT-UHFFFAOYSA-N -2 3 380.784 3.526 20 0 GHADHL [O-]c1cccnc1CSc1n[n-]c(=Nc2cccc(Br)c2)s1 ZINC000577579485 902912571 /nfs/dbraw/zinc/91/25/71/902912571.db2.gz SNAFDHLLQONULS-UHFFFAOYSA-N -2 3 395.307 3.859 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC001188827786 916235716 /nfs/dbraw/zinc/23/57/16/916235716.db2.gz ZRENGHBJNWIPDO-UHFFFAOYSA-N -2 3 397.408 3.879 20 0 GHADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(F)c2F)c([O-])c1 ZINC001189463356 916665938 /nfs/dbraw/zinc/66/59/38/916665938.db2.gz IOATXPSQGLVASC-UHFFFAOYSA-N -2 3 399.415 3.568 20 0 GHADHL Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000410422878 925632226 /nfs/dbraw/zinc/63/22/26/925632226.db2.gz YXDFMKYEOSQOBT-UHFFFAOYSA-N -2 3 399.472 3.511 20 0 GHADHL Cc1nc(C=Cc2cccc(OCc3ccccc3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000470238687 930478775 /nfs/dbraw/zinc/47/87/75/930478775.db2.gz VRKYYTKHGPCTFO-ZHACJKMWSA-N -2 3 376.412 3.867 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1C(=O)[O-] ZINC000547545757 931106726 /nfs/dbraw/zinc/10/67/26/931106726.db2.gz KAHCGIIJKDAVNO-UHFFFAOYSA-N -3 3 397.408 3.551 20 0 GHADHL Cc1cc(C)cc([C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])c1 ZINC000547588773 931136955 /nfs/dbraw/zinc/13/69/55/931136955.db2.gz JYWAKKHYEKZUKN-GFCCVEGCSA-N -2 3 394.301 3.776 20 0 GHADHL CC(C)c1ccc(-c2nc([C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)no2)c([O-])c1 ZINC001609849069 970551552 /nfs/dbraw/zinc/55/15/52/970551552.db2.gz LHABXVOFDKNMJH-ZDUSSCGKSA-N -2 3 391.424 3.606 20 0 GHADHL CCCCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001603649468 974012038 /nfs/dbraw/zinc/01/20/38/974012038.db2.gz XZUHUILREBXVTJ-RBUKOAKNSA-N -2 3 383.444 3.512 20 0 GHADHL CCC(CC)(C[N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001595084613 979374683 /nfs/dbraw/zinc/37/46/83/979374683.db2.gz NOKYCIAJZDHHND-UHFFFAOYSA-N -2 3 385.869 3.668 20 0 GHADHL CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-])c1nccs1 ZINC001595310462 980468160 /nfs/dbraw/zinc/46/81/60/980468160.db2.gz JXVHBSFFZBJCDG-JTQLQIEISA-N -2 3 395.289 3.578 20 0 GHADHL CCCc1c(C(=O)Nc2cc(Br)ccc2[O-])[nH]c(C)c1C(=O)[O-] ZINC001596045877 983337629 /nfs/dbraw/zinc/33/76/29/983337629.db2.gz USFOHXLUFIVTIB-UHFFFAOYSA-N -2 3 381.226 3.694 20 0 GHADHL CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC001589697095 987779159 /nfs/dbraw/zinc/77/91/59/987779159.db2.gz YEQGAAOZFNVGCE-UHFFFAOYSA-N -2 3 381.494 3.692 20 0 GHADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC001597790655 989313831 /nfs/dbraw/zinc/31/38/31/989313831.db2.gz GLKJZGVFOUNVSP-UHFFFAOYSA-N -2 3 387.841 3.782 20 0 GHADHL CC1(C)CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@@H](c2ccccc2)C1 ZINC001593882464 996713964 /nfs/dbraw/zinc/71/39/64/996713964.db2.gz SMLXJAHGWYAFSG-HZPDHXFCSA-N -2 3 377.462 3.619 20 0 GHADHL COc1ccc2cc([O-])c(C(=O)Nc3ccc(-n4ccc(=O)[n-]4)cc3)cc2c1 ZINC001154754963 1032273353 /nfs/dbraw/zinc/27/33/53/1032273353.db2.gz UBQFISRHIKKJJC-UHFFFAOYSA-N -2 3 375.384 3.698 20 0 GHADHL COc1ccc([C@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)C(C)C)cc1 ZINC001227598381 1032478819 /nfs/dbraw/zinc/47/88/19/1032478819.db2.gz WKFZUUDVKOLRRK-GFCCVEGCSA-N -2 3 393.241 3.606 20 0 GHADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1OC[C@@H]1CCc2ccccc2O1 ZINC001228119574 1032794594 /nfs/dbraw/zinc/79/45/94/1032794594.db2.gz JJKCTVOETCMDOB-KRWDZBQOSA-N -2 3 392.407 3.807 20 0 GHADHL CCC[C@H](CC(=O)OCC)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228123948 1032798144 /nfs/dbraw/zinc/79/81/44/1032798144.db2.gz WSUIFLQDKXKJTN-OAHLLOKOSA-N -2 3 388.416 3.535 20 0 GHADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(SC(C)C)cc2)cc1C(=O)[O-] ZINC000572874635 1019810064 /nfs/dbraw/zinc/81/00/64/1019810064.db2.gz LWPCBIZKOGBWGL-NSHDSACASA-N -2 3 383.491 3.826 20 0 GHADHL O=C(Nc1cc([O-])c(F)cc1F)c1c[n-]c2ccc(Br)cc2c1=O ZINC001141834137 1027388236 /nfs/dbraw/zinc/38/82/36/1027388236.db2.gz SZAYRQNWDKMVDD-UHFFFAOYSA-N -2 3 395.159 3.527 20 0 GHADHL COc1cc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)ccc1C ZINC001215471008 1029226281 /nfs/dbraw/zinc/22/62/81/1029226281.db2.gz LEQYQKOPXXGJPI-UHFFFAOYSA-N -2 3 377.194 3.894 20 0 GHADHL CC[C@H](COC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(OC)cc1 ZINC001229672109 1033632592 /nfs/dbraw/zinc/63/25/92/1033632592.db2.gz OILCTLBIOSLBDP-CQSZACIVSA-N -2 3 386.400 3.684 20 0 GHADHL O=C([N-]C[C@@H]1Cc2ccccc2N1Cc1cccc([O-])c1Cl)C(F)(F)F ZINC001206351238 1033809814 /nfs/dbraw/zinc/80/98/14/1033809814.db2.gz RRTXXOJCBBYLBZ-ZDUSSCGKSA-N -2 3 384.785 3.655 20 0 GHADHL O=S(=O)([N-]c1ccc(-c2nnc(-c3ccccc3)o2)c([O-])c1)c1ccccc1 ZINC001253138115 1039444368 /nfs/dbraw/zinc/44/43/68/1039444368.db2.gz LXGUUKSKIAZBMA-UHFFFAOYSA-N -2 3 393.424 3.910 20 0 GHADHL Nc1nc2cc([N-]S(=O)(=O)c3cc(Cl)c([O-])c(Cl)c3)ccc2s1 ZINC001237816540 1042383775 /nfs/dbraw/zinc/38/37/75/1042383775.db2.gz GUQXKPJYHCBWTB-UHFFFAOYSA-N -2 3 390.273 3.692 20 0 GHADHL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)[n-]1 ZINC001260371094 1045478860 /nfs/dbraw/zinc/47/88/60/1045478860.db2.gz BMEAFSLYZSRYIH-UHFFFAOYSA-N -2 3 384.244 3.686 20 0 GHADHL Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(Br)c([O-])c3)cc2s1 ZINC001327707258 1050259233 /nfs/dbraw/zinc/25/92/33/1050259233.db2.gz BUIOCBIWXLBDMH-UHFFFAOYSA-N -2 3 399.291 3.874 20 0 GHADHL O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC001450174390 1060547030 /nfs/dbraw/zinc/54/70/30/1060547030.db2.gz ZJASDPXPCAVCKD-UHFFFAOYSA-N -2 3 380.791 3.530 20 0 GHADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000740134714 600104312 /nfs/dbraw/zinc/10/43/12/600104312.db2.gz JNMLEHMULDTPEE-UHFFFAOYSA-N -2 3 394.880 3.829 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc1C(=O)[O-] ZINC000046015393 600811708 /nfs/dbraw/zinc/81/17/08/600811708.db2.gz CITUXOMINAYLEE-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)ccc2C)n1 ZINC000477469746 601989282 /nfs/dbraw/zinc/98/92/82/601989282.db2.gz QQCCZTRYJUJVQH-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000761907538 602321174 /nfs/dbraw/zinc/32/11/74/602321174.db2.gz CHMYVCZAAZLTJO-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)c1 ZINC000739917351 602652322 /nfs/dbraw/zinc/65/23/22/602652322.db2.gz JMFYNQDUKMHXNX-HJWRWDBZSA-N -2 3 382.825 3.851 20 0 GHADHL Cc1sc2[n-]c([C@H](C)OC(=O)Cc3ccccc3C(=O)[O-])nc(=O)c2c1C ZINC000833758844 604497844 /nfs/dbraw/zinc/49/78/44/604497844.db2.gz VDUBERUTVKUDHK-JTQLQIEISA-N -2 3 386.429 3.559 20 0 GHADHL Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833746110 604990225 /nfs/dbraw/zinc/99/02/25/604990225.db2.gz NTTNDRYLLMHLGD-UHFFFAOYSA-N -2 3 394.880 3.748 20 0 GHADHL O=C([O-])c1c2c(nc3ccccc31)C(=Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000823387492 606302764 /nfs/dbraw/zinc/30/27/64/606302764.db2.gz MQROYABDWDDNGU-JXMROGBWSA-N -2 3 375.413 3.661 20 0 GHADHL O=C([O-])c1c2c(nc3ccccc31)C(=Cc1cc(-c3nn[n-]n3)cs1)CC2 ZINC000823387492 606302766 /nfs/dbraw/zinc/30/27/66/606302766.db2.gz MQROYABDWDDNGU-JXMROGBWSA-N -2 3 375.413 3.661 20 0 GHADHL O=C(NCc1cccc(NC(=O)c2ccc([O-])cc2F)c1)c1ccc([O-])cc1F ZINC000181934034 838678192 /nfs/dbraw/zinc/67/81/92/838678192.db2.gz OECPCWBWSBAMQE-UHFFFAOYSA-N -2 3 398.365 3.558 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1C(=O)[O-] ZINC000048382741 842180714 /nfs/dbraw/zinc/18/07/14/842180714.db2.gz OMPDHOQEXPSBLF-UHFFFAOYSA-N -2 3 388.470 3.926 20 0 GHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1F ZINC000548266060 842336149 /nfs/dbraw/zinc/33/61/49/842336149.db2.gz NKUKGPDZRZAUCI-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL Cc1cccc2cc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)sc21 ZINC000663294583 843025703 /nfs/dbraw/zinc/02/57/03/843025703.db2.gz VCTMAJOMCDVUNQ-LLVKDONJSA-N -2 3 395.424 3.531 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccs1 ZINC000548524603 845344917 /nfs/dbraw/zinc/34/49/17/845344917.db2.gz NVUCBZIIAJLBFM-CYBMUJFWSA-N -2 3 385.850 3.560 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C(=O)[O-])c1 ZINC000548590525 845698759 /nfs/dbraw/zinc/69/87/59/845698759.db2.gz OKZRISWJZVJYAJ-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c(C)c1C ZINC000504665348 850222246 /nfs/dbraw/zinc/22/22/46/850222246.db2.gz DHWPPYWCFMIBLQ-ZDUSSCGKSA-N -2 3 395.502 3.678 20 0 GHADHL Cc1nc(C=Cc2ccc(Cl)c(Br)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504723167 850272060 /nfs/dbraw/zinc/27/20/60/850272060.db2.gz YUWIEZYNMVVEAC-HWKANZROSA-N -2 3 383.629 3.704 20 0 GHADHL COc1cc(-c2ccccc2)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000195503725 856437265 /nfs/dbraw/zinc/43/72/65/856437265.db2.gz SMUQPWLYYMOFPI-ZRDIBKRKSA-N -2 3 390.439 3.942 20 0 GHADHL CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000323790401 858461040 /nfs/dbraw/zinc/46/10/40/858461040.db2.gz GKGGKKQNSORISM-UHFFFAOYSA-N -2 3 398.278 3.819 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c(C)c1 ZINC000327000779 858812250 /nfs/dbraw/zinc/81/22/50/858812250.db2.gz BFFXWXDYIUNNGG-UHFFFAOYSA-N -2 3 383.853 3.855 20 0 GHADHL COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1Cl ZINC000466292138 859009565 /nfs/dbraw/zinc/00/95/65/859009565.db2.gz XRRZUFUWTPLHEO-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1C(=O)[O-] ZINC000028260504 860589719 /nfs/dbraw/zinc/58/97/19/860589719.db2.gz BFLAZEZQMHJUNE-UHFFFAOYSA-N -2 3 375.446 3.815 20 0 GHADHL Cc1c(=O)[n-]c(SCc2cc(=O)oc3cc([O-])ccc23)nc1-c1ccccc1 ZINC000185049634 865133033 /nfs/dbraw/zinc/13/30/33/865133033.db2.gz MQGXWUVOCGGNLW-UHFFFAOYSA-N -2 3 392.436 3.850 20 0 GHADHL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000446617954 870099139 /nfs/dbraw/zinc/09/91/39/870099139.db2.gz QUYRZMNQULLMCB-UHFFFAOYSA-N -2 3 375.418 3.823 20 0 GHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cccs3)cc2)cc1 ZINC001192714455 870637657 /nfs/dbraw/zinc/63/76/57/870637657.db2.gz SWVAHDVIPVEFCB-UHFFFAOYSA-N -2 3 389.454 3.679 20 0 GHADHL Cc1cc(C)c(NC(=O)c2ccc([O-])cc2C(F)(F)F)c(S(=O)(=O)[O-])c1 ZINC001193747466 871288708 /nfs/dbraw/zinc/28/87/08/871288708.db2.gz JQKZBBCYTMYXSS-UHFFFAOYSA-N -2 3 389.351 3.527 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1F ZINC000447274326 871341217 /nfs/dbraw/zinc/34/12/17/871341217.db2.gz ZTFONJPHEUMWHC-UHFFFAOYSA-N -2 3 379.340 3.724 20 0 GHADHL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(Cl)c1[O-] ZINC001194011619 871431702 /nfs/dbraw/zinc/43/17/02/871431702.db2.gz HXNQAPBUPSXLLA-UHFFFAOYSA-N -2 3 394.207 3.646 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](CC2CC2)c2cccc(F)c2)c(F)cc1F ZINC001195263775 872292011 /nfs/dbraw/zinc/29/20/11/872292011.db2.gz IBSFSUMJAWTQQH-INIZCTEOSA-N -2 3 399.390 3.622 20 0 GHADHL CCn1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)cc1C(=O)[O-] ZINC000541791178 874281128 /nfs/dbraw/zinc/28/11/28/874281128.db2.gz SIGYMAFVRISQSK-UHFFFAOYSA-N -2 3 378.784 3.598 20 0 GHADHL CCOc1cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)ccc1C ZINC000551475764 877283719 /nfs/dbraw/zinc/28/37/19/877283719.db2.gz WYTKOTPXYFFHQR-UHFFFAOYSA-N -2 3 391.489 3.747 20 0 GHADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000321831820 884171065 /nfs/dbraw/zinc/17/10/65/884171065.db2.gz CIJUOKYAGUOBSU-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)ccc1OCCCC(=O)[O-] ZINC000497961890 892851107 /nfs/dbraw/zinc/85/11/07/892851107.db2.gz XPATZIQPLBCPDJ-UHFFFAOYSA-N -2 3 388.445 3.521 20 0 GHADHL O=C(Nc1c([O-])cc(Br)cc1Cl)c1nnc2ccccc2c1[O-] ZINC000816590930 894935075 /nfs/dbraw/zinc/93/50/75/894935075.db2.gz PEHFVMIHOXDTAL-UHFFFAOYSA-N -2 3 394.612 3.709 20 0 GHADHL CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000821139869 897736633 /nfs/dbraw/zinc/73/66/33/897736633.db2.gz HWAMCXMDXOPOBM-UHFFFAOYSA-N -2 3 388.420 3.544 20 0 GHADHL O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cc([O-])c(Br)c(O)c1 ZINC001148989698 904275863 /nfs/dbraw/zinc/27/58/63/904275863.db2.gz HHFLDDGOLVFSDH-UHFFFAOYSA-N -2 3 392.127 3.837 20 0 GHADHL CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(C)cc1[O-] ZINC000579308043 904502192 /nfs/dbraw/zinc/50/21/92/904502192.db2.gz ZOILYMFBAWFIET-GOSISDBHSA-N -2 3 393.487 3.554 20 0 GHADHL Cc1cccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000642092521 911742008 /nfs/dbraw/zinc/74/20/08/911742008.db2.gz VNLBGJDOPDDFMC-SNVBAGLBSA-N -2 3 394.301 3.858 20 0 GHADHL CSc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC001188322906 915888095 /nfs/dbraw/zinc/88/80/95/915888095.db2.gz JOALNENNQDIJPJ-UHFFFAOYSA-N -2 3 375.830 3.700 20 0 GHADHL Cc1cc([O-])c([N-]S(=O)(=O)Cc2cc(F)ccc2F)cc1Br ZINC001189689562 916830515 /nfs/dbraw/zinc/83/05/15/916830515.db2.gz BZPHGEUCNXLUKL-UHFFFAOYSA-N -2 3 392.221 3.683 20 0 GHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC000410420564 925633748 /nfs/dbraw/zinc/63/37/48/925633748.db2.gz PJOKEZULKQIVEF-UHFFFAOYSA-N -2 3 392.235 3.951 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)cs1 ZINC000125192370 958554603 /nfs/dbraw/zinc/55/46/03/958554603.db2.gz XKUIGLGEKHTPHP-UHFFFAOYSA-N -2 3 396.671 3.663 20 0 GHADHL CC[C@](NC(=O)c1cc(SC)ccc1[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595265496 980275815 /nfs/dbraw/zinc/27/58/15/980275815.db2.gz WRYJXFLJLZRETJ-GOSISDBHSA-N -2 3 379.865 3.887 20 0 GHADHL CC(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)cc1[O-] ZINC001589277499 985996707 /nfs/dbraw/zinc/99/67/07/985996707.db2.gz SVSOUEMNXBDRLP-LJQANCHMSA-N -2 3 377.396 3.694 20 0 GHADHL C[C@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001594363772 999373389 /nfs/dbraw/zinc/37/33/89/999373389.db2.gz LCQNACRWTJMXEF-WDEREUQCSA-N -2 3 377.865 3.672 20 0 GHADHL COc1cc(F)c(F)cc1-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215471441 1029226546 /nfs/dbraw/zinc/22/65/46/1029226546.db2.gz XIDYGYGVNDNARB-UHFFFAOYSA-N -2 3 399.147 3.864 20 0 GHADHL COc1ccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c(C)c1 ZINC001215471038 1029227458 /nfs/dbraw/zinc/22/74/58/1029227458.db2.gz MUZZVARGEVZPEK-UHFFFAOYSA-N -2 3 377.194 3.894 20 0 GHADHL COc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@@H]2C=CCC2)ccc1O ZINC001229797061 1033722773 /nfs/dbraw/zinc/72/27/73/1033722773.db2.gz RFFVYYAXWQYLCR-CYBMUJFWSA-N -2 3 382.368 3.683 20 0 GHADHL COc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@H]2C=CCC2)ccc1O ZINC001229797062 1033723034 /nfs/dbraw/zinc/72/30/34/1033723034.db2.gz RFFVYYAXWQYLCR-ZDUSSCGKSA-N -2 3 382.368 3.683 20 0 GHADHL O=S(=O)([N-]c1ccc(-c2nnc(C3CCCC3)o2)c([O-])c1)c1ccccc1 ZINC001257593367 1044076569 /nfs/dbraw/zinc/07/65/69/1044076569.db2.gz WDILPDUMMSKNDN-UHFFFAOYSA-N -2 3 385.445 3.901 20 0 GHADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Br)cc1[S-] ZINC001258926549 1044883291 /nfs/dbraw/zinc/88/32/91/1044883291.db2.gz DFJCGVIBYASXSE-UHFFFAOYSA-N -2 3 376.272 3.986 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1-c1ccccc1 ZINC001260228067 1045420103 /nfs/dbraw/zinc/42/01/03/1045420103.db2.gz WQNSRKQQASFAML-UHFFFAOYSA-N -2 3 383.425 3.861 20 0 GHADHL COc1cccc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)c1 ZINC001260228288 1045420575 /nfs/dbraw/zinc/42/05/75/1045420575.db2.gz SFSQVRZXPZUDJJ-UHFFFAOYSA-N -2 3 383.425 3.861 20 0 GHADHL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001260875825 1045731466 /nfs/dbraw/zinc/73/14/66/1045731466.db2.gz AZLGXYCYIQTDNX-UHFFFAOYSA-N -2 3 390.244 3.595 20 0 GHADHL O=S(=O)([N-]c1cc(Cl)cc(CO)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260877492 1045733897 /nfs/dbraw/zinc/73/38/97/1045733897.db2.gz YDIDVLBPTVNEOV-UHFFFAOYSA-N -2 3 382.652 3.646 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1ccc2ncsc2c1 ZINC001321367341 1056236614 /nfs/dbraw/zinc/23/66/14/1056236614.db2.gz SVRGUEZOLLUZMD-UHFFFAOYSA-N -2 3 385.264 3.565 20 0 GHADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000738277455 599905784 /nfs/dbraw/zinc/90/57/84/599905784.db2.gz ZBISKGCILRSXGZ-UHFFFAOYSA-N -2 3 388.489 3.730 20 0 GHADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(F)cc1F ZINC000740088678 599924303 /nfs/dbraw/zinc/92/43/03/599924303.db2.gz TZMOFUNHHDDELU-UHFFFAOYSA-N -2 3 399.268 3.622 20 0 GHADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000736448613 600100395 /nfs/dbraw/zinc/10/03/95/600100395.db2.gz MNNYGGLYBBPYNF-UHFFFAOYSA-N -2 3 382.413 3.751 20 0 GHADHL CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000481959564 600817635 /nfs/dbraw/zinc/81/76/35/600817635.db2.gz ATRSRARULMBPQP-UHFFFAOYSA-N -2 3 377.462 3.539 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)ccc1OC(C)C ZINC000484955562 600898836 /nfs/dbraw/zinc/89/88/36/600898836.db2.gz SYYDSMJZAQZIAU-UHFFFAOYSA-N -2 3 391.489 3.945 20 0 GHADHL CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000736523408 601048245 /nfs/dbraw/zinc/04/82/45/601048245.db2.gz PAIJKBDNRQLQBO-UHFFFAOYSA-N -2 3 377.462 3.854 20 0 GHADHL O=C([O-])c1ccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1F ZINC000833317046 601670087 /nfs/dbraw/zinc/67/00/87/601670087.db2.gz NIGWSTIWLPTWMG-UHFFFAOYSA-N -2 3 396.403 3.651 20 0 GHADHL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)ccc2C)n1 ZINC000477462327 601989201 /nfs/dbraw/zinc/98/92/01/601989201.db2.gz RXNIFNJDSSQVNK-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1F ZINC000754759150 602323370 /nfs/dbraw/zinc/32/33/70/602323370.db2.gz OSPUQCCEFDWWFO-UHFFFAOYSA-N -2 3 379.409 3.646 20 0 GHADHL O=S(=O)([N-]c1csc2ccccc12)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492988 609530976 /nfs/dbraw/zinc/53/09/76/609530976.db2.gz NWSRKRMDAXKKOC-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL O=S(=O)([N-]c1csc2ccccc12)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492988 609530979 /nfs/dbraw/zinc/53/09/79/609530979.db2.gz NWSRKRMDAXKKOC-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL O=P([O-])([O-])C1(Nc2ccnc(OCc3ccccc3)c2)Cc2ccccc2C1 ZINC001167933742 844706581 /nfs/dbraw/zinc/70/65/81/844706581.db2.gz BWYVXBWWEBPQAW-UHFFFAOYSA-N -2 3 396.383 3.745 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)c(C)c1C(=O)[O-] ZINC000512794393 845534308 /nfs/dbraw/zinc/53/43/08/845534308.db2.gz AZKHITNCUMACNG-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000058518891 862547653 /nfs/dbraw/zinc/54/76/53/862547653.db2.gz VQLSLUAEGOTALT-UHFFFAOYSA-N -2 3 389.351 3.647 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(OC(F)(F)F)c1 ZINC000486096585 857424716 /nfs/dbraw/zinc/42/47/16/857424716.db2.gz PNDJSTURANWRKW-UHFFFAOYSA-N -2 3 395.742 3.738 20 0 GHADHL COc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OCc1ccccc1 ZINC000670370240 858311491 /nfs/dbraw/zinc/31/14/91/858311491.db2.gz RUWAGXKGIPZXKU-NTMALXAHSA-N -2 3 378.384 3.638 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c(C)c1 ZINC000543164487 858697698 /nfs/dbraw/zinc/69/76/98/858697698.db2.gz QMDUMROSXVEAMH-GFCCVEGCSA-N -2 3 377.462 3.691 20 0 GHADHL CSc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])c1 ZINC000509384086 859249720 /nfs/dbraw/zinc/24/97/20/859249720.db2.gz FKQMIMASBGNYLC-UHFFFAOYSA-N -2 3 392.502 3.508 20 0 GHADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000484541372 860099779 /nfs/dbraw/zinc/09/97/79/860099779.db2.gz PBOAGVLOBRGAPA-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1c([O-])cccc1F ZINC000121452181 882117056 /nfs/dbraw/zinc/11/70/56/882117056.db2.gz CXCIYYPYUUDAPX-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000793406494 882149950 /nfs/dbraw/zinc/14/99/50/882149950.db2.gz TUVHLGPJOHRYJD-UHFFFAOYSA-N -2 3 397.399 3.704 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1OC(C)C ZINC000793429129 882180249 /nfs/dbraw/zinc/18/02/49/882180249.db2.gz NRPTWKYYIIRZHO-UHFFFAOYSA-N -2 3 381.425 3.729 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(C)c1C ZINC000582508136 882230835 /nfs/dbraw/zinc/23/08/35/882230835.db2.gz JLXIOKRLEDIIBV-UHFFFAOYSA-N -2 3 377.462 3.736 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)c(C)c2)cc1C(=O)[O-] ZINC000447262614 871279037 /nfs/dbraw/zinc/27/90/37/871279037.db2.gz FLCCLMQFRJYUEO-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2C(F)F)c(Cl)cc1F ZINC001194021479 871437634 /nfs/dbraw/zinc/43/76/34/871437634.db2.gz AQGVHKSTGUPOIL-UHFFFAOYSA-N -2 3 393.770 3.593 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)c1 ZINC000539399281 871897235 /nfs/dbraw/zinc/89/72/35/871897235.db2.gz LGCUECJDUDUEBD-UHFFFAOYSA-N -2 3 379.478 3.825 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)C2)c(F)cc1F ZINC001195269379 872294699 /nfs/dbraw/zinc/29/46/99/872294699.db2.gz YYEHMEURUMCPNY-ZIAGYGMSSA-N -2 3 395.427 3.668 20 0 GHADHL CC(C)(C)OC(=O)c1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC001197119926 873611641 /nfs/dbraw/zinc/61/16/41/873611641.db2.gz XARQDOCQXCBGMK-UHFFFAOYSA-N -2 3 388.445 3.855 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(C)c(C(=O)[O-])c2)cc1 ZINC000551114015 883301720 /nfs/dbraw/zinc/30/17/20/883301720.db2.gz INYMCKQQPBYUGH-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL O=C([O-])c1ccccc1OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000194399051 883804209 /nfs/dbraw/zinc/80/42/09/883804209.db2.gz JLQNZXHIKICPMM-UHFFFAOYSA-N -2 3 378.409 3.929 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(Br)s1 ZINC000032585546 887421230 /nfs/dbraw/zinc/42/12/30/887421230.db2.gz JIVRMLAAYYZALG-UHFFFAOYSA-N -2 3 396.671 3.663 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2C)cc1C(=O)[O-] ZINC001184653877 913344866 /nfs/dbraw/zinc/34/48/66/913344866.db2.gz UBLSWHRTERUXSI-UHFFFAOYSA-N -2 3 389.351 3.701 20 0 GHADHL COc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1OCc1ccccc1 ZINC000670370122 891804705 /nfs/dbraw/zinc/80/47/05/891804705.db2.gz AASGQMFVMXZIIE-NTMALXAHSA-N -2 3 378.384 3.638 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cnc2onc(-c3ccccc3)c2c1 ZINC000563877204 894288244 /nfs/dbraw/zinc/28/82/44/894288244.db2.gz DKRYQJFOGCQPTB-UHFFFAOYSA-N -2 3 385.376 3.535 20 0 GHADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)c1 ZINC000575909299 901458017 /nfs/dbraw/zinc/45/80/17/901458017.db2.gz XHDFNZAOWVSDBK-UHFFFAOYSA-N -2 3 389.473 3.826 20 0 GHADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000576901770 902347094 /nfs/dbraw/zinc/34/70/94/902347094.db2.gz NRWKWDDAACMURH-LLVKDONJSA-N -2 3 399.406 3.794 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1Br)c1ccc(Cl)nc1Cl ZINC001187973192 915653429 /nfs/dbraw/zinc/65/34/29/915653429.db2.gz ZDJYBPYOSIVAGY-UHFFFAOYSA-N -2 3 398.065 3.657 20 0 GHADHL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)cc1 ZINC001190448623 917349658 /nfs/dbraw/zinc/34/96/58/917349658.db2.gz XJZIWYKLFVGHBT-UHFFFAOYSA-N -2 3 377.462 3.667 20 0 GHADHL COc1ccc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)c(Br)c1[O-] ZINC000546206698 929957833 /nfs/dbraw/zinc/95/78/33/929957833.db2.gz BPMWJFBWLXILPJ-FNORWQNLSA-N -2 3 393.237 3.945 20 0 GHADHL Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3cc(Br)ccc32)c([O-])c1 ZINC001594344695 958318583 /nfs/dbraw/zinc/31/85/83/958318583.db2.gz JSNLSMUVSMMIRH-GFCCVEGCSA-N -2 3 390.233 3.682 20 0 GHADHL O=C([O-])[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccc(F)cc1 ZINC001605731053 972364794 /nfs/dbraw/zinc/36/47/94/972364794.db2.gz LBRLOYVTQFUWOD-HXUWFJFHSA-N -2 3 379.387 3.678 20 0 GHADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000141242808 958973272 /nfs/dbraw/zinc/97/32/72/958973272.db2.gz KIPWYCGRAKEYSR-UHFFFAOYSA-N -2 3 383.425 3.765 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)c(F)cc1Cl ZINC001259225464 960694298 /nfs/dbraw/zinc/69/42/98/960694298.db2.gz QNXPZEHNXOKMIS-MRXNPFEDSA-N -2 3 397.855 3.997 20 0 GHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001595007953 982927109 /nfs/dbraw/zinc/92/71/09/982927109.db2.gz INCIAKYUEQIIRT-CQSZACIVSA-N -2 3 389.473 3.781 20 0 GHADHL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)s1 ZINC001597445611 987818132 /nfs/dbraw/zinc/81/81/32/987818132.db2.gz QCLQTDBFTOJNDL-UHFFFAOYSA-N -2 3 375.418 3.888 20 0 GHADHL CC(C)(C)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001589728880 987937162 /nfs/dbraw/zinc/93/71/62/987937162.db2.gz QFEJWCDSJWJWHF-GXFFZTMASA-N -2 3 377.865 3.670 20 0 GHADHL CC(C)(C)c1cc(CCC(=O)[N-]OCCCC(=O)[O-])cc(C(C)(C)C)c1O ZINC001590463991 990039880 /nfs/dbraw/zinc/03/98/80/990039880.db2.gz SZDWZOVUMCXDMW-UHFFFAOYSA-N -2 3 379.497 3.832 20 0 GHADHL CC(C)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001591036544 991364983 /nfs/dbraw/zinc/36/49/83/991364983.db2.gz VXZJJWGUHROVKU-HNNXBMFYSA-N -2 3 396.534 3.814 20 0 GHADHL C[C@@](NC(=O)c1cc([O-])ccc1Cl)(C(=O)[O-])c1cccc(Br)c1 ZINC001593156249 993973589 /nfs/dbraw/zinc/97/35/89/993973589.db2.gz QNRFYDQDEJTYFC-INIZCTEOSA-N -2 3 398.640 3.538 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(C(=O)[O-])c2)c(C)c1C ZINC001599616506 994021698 /nfs/dbraw/zinc/02/16/98/994021698.db2.gz DHSQBOUFDLXSGM-UHFFFAOYSA-N -2 3 387.816 3.604 20 0 GHADHL O=C(Nc1cccc(Cl)c1[O-])c1ccc(I)c([O-])c1 ZINC000545488486 1015933691 /nfs/dbraw/zinc/93/36/91/1015933691.db2.gz XJKSYUZJYDEVRG-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL CC1(C)CCC[C@]([N-]S(=O)(=O)c2csnc2-c2ccccc2)(C(=O)[O-])C1 ZINC001593898077 996759467 /nfs/dbraw/zinc/75/94/67/996759467.db2.gz AMJIQDJBMQIMRD-GOSISDBHSA-N -2 3 394.518 3.512 20 0 GHADHL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000754260727 1022566712 /nfs/dbraw/zinc/56/67/12/1022566712.db2.gz UGKCWVNKURZMBM-PKNBQFBNSA-N -2 3 379.409 3.725 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC2CCC(O)CC2)cc1 ZINC001218367895 1030910824 /nfs/dbraw/zinc/91/08/24/1030910824.db2.gz ABEIMPVUEZBNLS-UHFFFAOYSA-N -2 3 398.411 3.562 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC[C@H]2CCC=CO2)cc1 ZINC001229669641 1033630881 /nfs/dbraw/zinc/63/08/81/1033630881.db2.gz UQYCCMZDBCXZEB-MRXNPFEDSA-N -2 3 396.395 3.951 20 0 GHADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C2(CC3CC3)CCC(F)(F)CC2)c1 ZINC001260220549 1045418781 /nfs/dbraw/zinc/41/87/81/1045418781.db2.gz ZPVHQSIDSXFNOK-UHFFFAOYSA-N -2 3 391.411 3.550 20 0 GHADHL CCn1ncc2cc([N-]S(=O)(=O)c3cc(Cl)c([O-])c(Cl)c3)ccc21 ZINC001260876942 1045734120 /nfs/dbraw/zinc/73/41/20/1045734120.db2.gz NXKCQZSHTUALEY-UHFFFAOYSA-N -2 3 386.260 3.869 20 0 GHADHL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000739767533 599853980 /nfs/dbraw/zinc/85/39/80/599853980.db2.gz UGKQGHMFJSMXRJ-UHFFFAOYSA-N -2 3 389.473 3.826 20 0 GHADHL CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000736532160 599885905 /nfs/dbraw/zinc/88/59/05/599885905.db2.gz LJOQIJUWWMVOED-UHFFFAOYSA-N -2 3 399.472 3.554 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000476743831 599925439 /nfs/dbraw/zinc/92/54/39/599925439.db2.gz VULUPRPGBISEBQ-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL CCN(c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1)C(C)C ZINC000737108892 600102958 /nfs/dbraw/zinc/10/29/58/600102958.db2.gz NGIPWFDMVDUYRE-UHFFFAOYSA-N -2 3 380.441 3.559 20 0 GHADHL CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736436634 600302153 /nfs/dbraw/zinc/30/21/53/600302153.db2.gz VIAHYZYBEZXDBK-UHFFFAOYSA-N -2 3 376.478 3.844 20 0 GHADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000739686934 600489822 /nfs/dbraw/zinc/48/98/22/600489822.db2.gz HAMBYFYOWIFJAQ-UHFFFAOYSA-N -2 3 385.441 3.884 20 0 GHADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(N(C)C(=O)[O-])cc3)cc(Cl)c2O1 ZINC000736826913 600635482 /nfs/dbraw/zinc/63/54/82/600635482.db2.gz ZNAIEHRTVJZTLS-JTQLQIEISA-N -2 3 396.852 3.578 20 0 GHADHL O=C([O-])CCCc1csc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC000833229507 601748960 /nfs/dbraw/zinc/74/89/60/601748960.db2.gz NNCKMKFXUOWQDO-UHFFFAOYSA-N -2 3 375.381 3.597 20 0 GHADHL CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc([C@@H](C)NC(=O)[O-])cc3)nc2)n1 ZINC000827557440 604348075 /nfs/dbraw/zinc/34/80/75/604348075.db2.gz TWSAXUQRTRRXGW-CYBMUJFWSA-N -2 3 393.447 3.747 20 0 GHADHL Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc(NC(=O)[O-])cc3[O-])nc2c1 ZINC000833907502 605644299 /nfs/dbraw/zinc/64/42/99/605644299.db2.gz KOHCBIZRWOHTHA-MRXNPFEDSA-N -2 3 380.404 3.644 20 0 GHADHL Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(NC(=O)[O-])cc3[O-])[nH]c2c1 ZINC000833907502 605644302 /nfs/dbraw/zinc/64/43/02/605644302.db2.gz KOHCBIZRWOHTHA-MRXNPFEDSA-N -2 3 380.404 3.644 20 0 GHADHL O=C(N=c1[n-]nc(-c2ccc(Cl)cc2F)s1)c1cc(-c2ccco2)[n-]n1 ZINC000473392408 844297620 /nfs/dbraw/zinc/29/76/20/844297620.db2.gz VQKYJPADXJVYJM-UHFFFAOYSA-N -2 3 389.799 3.655 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cc(Cl)c(Br)cc1F ZINC000190815750 841414860 /nfs/dbraw/zinc/41/48/60/841414860.db2.gz CVXGICMJQQLLDB-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL COc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc(C(=O)[O-])c1OC ZINC000045946849 841875524 /nfs/dbraw/zinc/87/55/24/841875524.db2.gz VCLVRWQPLVPQKP-UHFFFAOYSA-N -2 3 393.461 3.500 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Br)c(Cl)c1 ZINC000071392876 843701171 /nfs/dbraw/zinc/70/11/71/843701171.db2.gz QAZOXFNYYUZLQU-UHFFFAOYSA-N -2 3 390.642 3.602 20 0 GHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)c1C ZINC000564493217 847743936 /nfs/dbraw/zinc/74/39/36/847743936.db2.gz YVRFOAQTSGLXRK-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000505275521 850779893 /nfs/dbraw/zinc/77/98/93/850779893.db2.gz UELJUHBQWAMDRR-UHFFFAOYSA-N -2 3 398.440 3.935 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000515697566 851372044 /nfs/dbraw/zinc/37/20/44/851372044.db2.gz VAYLLMFFEFZATO-UHFFFAOYSA-N -2 3 377.462 3.602 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c(C)c1C(=O)[O-] ZINC000427306197 852966066 /nfs/dbraw/zinc/96/60/66/852966066.db2.gz BEFQBYFSJSQPOH-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1C(=O)[O-] ZINC000589938552 855193780 /nfs/dbraw/zinc/19/37/80/855193780.db2.gz KWDLGGICXSBYJV-UHFFFAOYSA-N -2 3 393.461 3.680 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cc1ccccc1 ZINC000013239890 857110744 /nfs/dbraw/zinc/11/07/44/857110744.db2.gz HQZFMYFIUNANNG-UHFFFAOYSA-N -2 3 397.452 3.785 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1C(=O)[O-] ZINC000442234985 857661636 /nfs/dbraw/zinc/66/16/36/857661636.db2.gz QABZUCWIJIQQDB-UHFFFAOYSA-N -2 3 391.779 3.516 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cc1OCC ZINC000676722237 858783643 /nfs/dbraw/zinc/78/36/43/858783643.db2.gz GHOSKDAQTQYRFV-UHFFFAOYSA-N -2 3 393.461 3.545 20 0 GHADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000327688187 864779170 /nfs/dbraw/zinc/77/91/70/864779170.db2.gz QTGDFRCEJXJTCM-UHFFFAOYSA-N -2 3 395.742 3.738 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)ccc1OCCCC(=O)[O-] ZINC000523585933 867587618 /nfs/dbraw/zinc/58/76/18/867587618.db2.gz JUNGFEZZTOWDCZ-UHFFFAOYSA-N -2 3 389.473 3.528 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000793349306 882145749 /nfs/dbraw/zinc/14/57/49/882145749.db2.gz NYPFRGOIAHFNEM-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cc(Br)sc1Cl ZINC000535054245 868045257 /nfs/dbraw/zinc/04/52/57/868045257.db2.gz VKIFVFATFZMKIA-UHFFFAOYSA-N -2 3 386.651 3.810 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000447266034 871287331 /nfs/dbraw/zinc/28/73/31/871287331.db2.gz JPOMQCUOGYAOOL-UHFFFAOYSA-N -2 3 375.377 3.893 20 0 GHADHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC001194268658 871602531 /nfs/dbraw/zinc/60/25/31/871602531.db2.gz BGAGPUXUXCJRQB-UHFFFAOYSA-N -2 3 388.221 3.607 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1F ZINC000541079403 872914038 /nfs/dbraw/zinc/91/40/38/872914038.db2.gz HPZUULAVJBORNX-UHFFFAOYSA-N -2 3 395.452 3.578 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1c(F)cccc1Br ZINC001200988178 875449232 /nfs/dbraw/zinc/44/92/32/875449232.db2.gz UBNYEQDQRYYBSU-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL O=C([O-])c1cc([N-]S(=O)(=O)Cc2noc3ccccc32)cc2ccccc21 ZINC000776516008 877399116 /nfs/dbraw/zinc/39/91/16/877399116.db2.gz GENSCKQNUHHTKG-UHFFFAOYSA-N -2 3 382.397 3.621 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)ccc1C(=O)[O-] ZINC000788490118 878098765 /nfs/dbraw/zinc/09/87/65/878098765.db2.gz VVTQSAJZTNFVQH-UHFFFAOYSA-N -2 3 391.445 3.516 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)cc1C ZINC000476285072 884372484 /nfs/dbraw/zinc/37/24/84/884372484.db2.gz QTXBWUQDDWWOTA-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2C)cc1C(=O)[O-] ZINC001184695709 913361515 /nfs/dbraw/zinc/36/15/15/913361515.db2.gz DTRVYOJSSLMLNV-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(C)c2)cc1C(=O)[O-] ZINC001184697357 913366045 /nfs/dbraw/zinc/36/60/45/913366045.db2.gz QNIJFKAHAPSKHS-UHFFFAOYSA-N -2 3 389.351 3.701 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cccs3)cc2)cc1C(=O)[O-] ZINC001185302828 913793206 /nfs/dbraw/zinc/79/32/06/913793206.db2.gz GRRQFDAQEOZMJF-UHFFFAOYSA-N -2 3 389.454 3.923 20 0 GHADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Br)cc1[S-] ZINC001185836738 914112899 /nfs/dbraw/zinc/11/28/99/914112899.db2.gz WAYSRCQTKWFUBW-UHFFFAOYSA-N -2 3 376.272 3.986 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(C(F)(F)F)cc1F ZINC001185909011 914168863 /nfs/dbraw/zinc/16/88/63/914168863.db2.gz FOHJCTMSHLRWRN-UHFFFAOYSA-N -2 3 395.305 3.791 20 0 GHADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826450549 900608040 /nfs/dbraw/zinc/60/80/40/900608040.db2.gz QXRKAKVNEGZGBG-UHFFFAOYSA-N -2 3 384.610 3.785 20 0 GHADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826450549 900608046 /nfs/dbraw/zinc/60/80/46/900608046.db2.gz QXRKAKVNEGZGBG-UHFFFAOYSA-N -2 3 384.610 3.785 20 0 GHADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCc3c2ccc(Cl)c3Cl)cc1C(=O)[O-] ZINC000575919970 901475077 /nfs/dbraw/zinc/47/50/77/901475077.db2.gz GFYVZIWAYVINFE-LBPRGKRZSA-N -2 3 390.244 3.559 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1C(C)C ZINC001188315039 915882588 /nfs/dbraw/zinc/88/25/88/915882588.db2.gz VJFSTDVJVXQGCO-UHFFFAOYSA-N -2 3 383.853 3.971 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(Cl)cc2F)ccc1Cl ZINC001188323764 915888196 /nfs/dbraw/zinc/88/81/96/915888196.db2.gz QSRVLGMPJIOJGW-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000547554807 931112851 /nfs/dbraw/zinc/11/28/51/931112851.db2.gz YQONKTMAVIIULI-HAQNSBGRSA-N -2 3 385.869 3.564 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c(C)c1 ZINC001595781158 982559662 /nfs/dbraw/zinc/55/96/62/982559662.db2.gz YZCKSTGUQBHYEQ-UHFFFAOYSA-N -2 3 377.462 3.981 20 0 GHADHL CSc1ccc([O-])c(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1 ZINC001599819761 988491086 /nfs/dbraw/zinc/49/10/86/988491086.db2.gz GRCGXRQYTDZKRM-UHFFFAOYSA-N -2 3 386.473 3.529 20 0 GHADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)c1cc2ccccc2o1 ZINC001599842783 988874251 /nfs/dbraw/zinc/87/42/51/988874251.db2.gz PRBAHDUHJDCZMI-SECBINFHSA-N -2 3 397.811 3.963 20 0 GHADHL CC(C)(NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1cc(C(=O)[O-])on1 ZINC001590858575 990747154 /nfs/dbraw/zinc/74/71/54/990747154.db2.gz LVQATJDVHJJZDV-UHFFFAOYSA-N -2 3 382.372 3.536 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c2ccccc12 ZINC000677746634 1021880233 /nfs/dbraw/zinc/88/02/33/1021880233.db2.gz SAQGIWHZVYRYMT-UHFFFAOYSA-N -2 3 389.404 3.795 20 0 GHADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000301492603 1028333968 /nfs/dbraw/zinc/33/39/68/1028333968.db2.gz NPLQOWCOIRLOKU-UHFFFAOYSA-N -2 3 387.807 3.672 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC[C@@H]2CCO[C@@H]2C)cc1 ZINC001229669921 1033630127 /nfs/dbraw/zinc/63/01/27/1033630127.db2.gz WZMFTXZHZDWQGT-OCCSQVGLSA-N -2 3 398.411 3.684 20 0 GHADHL O=C([N-]c1ccc(Cl)cn1)c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001247266312 1038045126 /nfs/dbraw/zinc/04/51/26/1038045126.db2.gz XHSZXRHLQFGQRC-UHFFFAOYSA-N -2 3 389.849 3.936 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)c(Cl)c1[O-] ZINC001259058751 1044941039 /nfs/dbraw/zinc/94/10/39/1044941039.db2.gz WTZXGUHIIFAWMC-UHFFFAOYSA-N -2 3 382.688 3.979 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC001259231783 1045027737 /nfs/dbraw/zinc/02/77/37/1045027737.db2.gz DWJOMOJOMMRQSP-UHFFFAOYSA-N -2 3 383.425 3.647 20 0 GHADHL CC[C@@H](C)S(=O)(=O)[N-]c1cc(Br)c(C(F)(F)F)cc1[O-] ZINC001260743933 1045635856 /nfs/dbraw/zinc/63/58/56/1045635856.db2.gz UXYGCLUQAUTMOZ-ZCFIWIBFSA-N -2 3 376.194 3.714 20 0 GHADHL COc1ccc(F)c(F)c1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260876050 1045732459 /nfs/dbraw/zinc/73/24/59/1045732459.db2.gz NORZVQZIAKQQFB-UHFFFAOYSA-N -2 3 384.187 3.787 20 0 GHADHL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3Cl)c2O1 ZINC001344595062 1054588185 /nfs/dbraw/zinc/58/81/85/1054588185.db2.gz PAVYINYLXSVEDX-UHFFFAOYSA-N -2 3 381.837 3.553 20 0 GHADHL O=C(Nc1ccc(Br)c([O-])c1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001447735418 1060016245 /nfs/dbraw/zinc/01/62/45/1060016245.db2.gz MOKLQDZBHPLNSR-UHFFFAOYSA-N -2 3 395.159 3.527 20 0 GHADHL O=C(Nc1c([O-])cccc1Cl)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001450262864 1060564532 /nfs/dbraw/zinc/56/45/32/1060564532.db2.gz QGSPFHKIMUNZIK-UHFFFAOYSA-N -2 3 393.624 3.902 20 0 GHADHL CC(=O)N(c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1)[C@H]1C[C@@H]1C ZINC000556267060 452921983 /nfs/dbraw/zinc/92/19/83/452921983.db2.gz WDYCWWPQPZBXOI-ZBEGNZNMSA-N -2 3 394.880 3.608 20 0 GHADHL CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507135 599359192 /nfs/dbraw/zinc/35/91/92/599359192.db2.gz AQKPGZZOIJUYLZ-LLVKDONJSA-N -2 3 394.460 3.520 20 0 GHADHL CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507135 599359195 /nfs/dbraw/zinc/35/91/95/599359195.db2.gz AQKPGZZOIJUYLZ-LLVKDONJSA-N -2 3 394.460 3.520 20 0 GHADHL O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc([O-])c(Br)c3)nc2c1 ZINC000740190805 599802307 /nfs/dbraw/zinc/80/23/07/599802307.db2.gz TUJOLVVSAJGHLO-KXFIGUGUSA-N -2 3 387.189 3.672 20 0 GHADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC000738291319 600488180 /nfs/dbraw/zinc/48/81/80/600488180.db2.gz OUOKIAVUSPBYTD-UHFFFAOYSA-N -2 3 383.853 3.693 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2)cc1C(=O)[O-] ZINC000519060091 600544015 /nfs/dbraw/zinc/54/40/15/600544015.db2.gz BKYDOCCPQLCQBD-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)cc1 ZINC000523533998 600545624 /nfs/dbraw/zinc/54/56/24/600545624.db2.gz GMKAQDKPXSOGNN-UHFFFAOYSA-N -2 3 375.446 3.645 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)ccc1C(=O)[O-] ZINC000507922281 600894200 /nfs/dbraw/zinc/89/42/00/600894200.db2.gz PLBFWMNOFCTHBC-UHFFFAOYSA-N -2 3 389.473 3.953 20 0 GHADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000828764849 601326242 /nfs/dbraw/zinc/32/62/42/601326242.db2.gz OLCCMAJJBWKZMD-XMRSSTEGSA-N -2 3 375.446 3.763 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c(OC(F)F)c1 ZINC000833320724 601332116 /nfs/dbraw/zinc/33/21/16/601332116.db2.gz CGYSVRZTZIOOKX-BQYQJAHWSA-N -2 3 387.335 3.538 20 0 GHADHL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000833344538 601830660 /nfs/dbraw/zinc/83/06/60/601830660.db2.gz BTZKBQHMPXTJNC-UHFFFAOYSA-N -2 3 381.624 3.541 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc(C(=O)[O-])c1C ZINC000471135802 834895191 /nfs/dbraw/zinc/89/51/91/834895191.db2.gz FDONEZNLIBGLRA-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(SC(C)C)cc2)oc1C(=O)[O-] ZINC000663422972 843554909 /nfs/dbraw/zinc/55/49/09/843554909.db2.gz PSLIVZDCXRXFPX-GFCCVEGCSA-N -2 3 383.491 3.826 20 0 GHADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000511111924 847070189 /nfs/dbraw/zinc/07/01/89/847070189.db2.gz WVNTVLUBGUGJJO-AWEZNQCLSA-N -2 3 377.462 3.682 20 0 GHADHL Cc1nc(C=Cc2ccc(-n3cnc4ccccc43)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504734088 850263592 /nfs/dbraw/zinc/26/35/92/850263592.db2.gz WSBAQJDBTFOZCM-DHZHZOJOSA-N -2 3 386.411 3.627 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)ccc1Oc1ccncc1 ZINC000571608534 853958223 /nfs/dbraw/zinc/95/82/23/853958223.db2.gz NNQUCARJDMGVLZ-UHFFFAOYSA-N -2 3 398.440 3.610 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)c(C)c1C ZINC000604971824 862648388 /nfs/dbraw/zinc/64/83/88/862648388.db2.gz YAVNELHQBPKPSZ-UHFFFAOYSA-N -2 3 377.462 3.934 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)ccc1Oc1cccnc1 ZINC000572967180 855446067 /nfs/dbraw/zinc/44/60/67/855446067.db2.gz SAWSTNUTEAVLIB-UHFFFAOYSA-N -2 3 398.440 3.610 20 0 GHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000032585731 856241382 /nfs/dbraw/zinc/24/13/82/856241382.db2.gz FAURIEBRQNRYRU-UHFFFAOYSA-N -2 3 399.424 3.743 20 0 GHADHL Cc1nc(C=Cc2c(F)cccc2Br)[n-]c(=O)c1CCC(=O)[O-] ZINC000443455420 858696720 /nfs/dbraw/zinc/69/67/20/858696720.db2.gz RTHXJFJTJDOVIW-ALCCZGGFSA-N -2 3 381.201 3.580 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c(C)c1 ZINC000543164488 858697761 /nfs/dbraw/zinc/69/77/61/858697761.db2.gz QMDUMROSXVEAMH-LBPRGKRZSA-N -2 3 377.462 3.691 20 0 GHADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1C(=O)[O-] ZINC000479243602 867398693 /nfs/dbraw/zinc/39/86/93/867398693.db2.gz AOHITMZZXOJLBM-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000793383388 882158579 /nfs/dbraw/zinc/15/85/79/882158579.db2.gz BZJJLGJMWIFDJC-UHFFFAOYSA-N -2 3 395.305 3.791 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c(C)c1C(=O)[O-] ZINC000156337318 868330518 /nfs/dbraw/zinc/33/05/18/868330518.db2.gz PKAXUPRWPVAJMU-UHFFFAOYSA-N -2 3 387.461 3.733 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194244502 871584080 /nfs/dbraw/zinc/58/40/80/871584080.db2.gz OECBJRQYFWRIEP-UHFFFAOYSA-N -2 3 391.832 3.786 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)c1 ZINC000539399665 871900708 /nfs/dbraw/zinc/90/07/08/871900708.db2.gz VXJLHLNXRLGHNE-UHFFFAOYSA-N -2 3 392.658 3.618 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c(C)c1CC(=O)[O-] ZINC000542005257 874749604 /nfs/dbraw/zinc/74/96/04/874749604.db2.gz XIZZCYAWBXTKLV-UHFFFAOYSA-N -2 3 399.415 3.641 20 0 GHADHL O=C(Nc1ccc(F)cc1[O-])c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000531756047 880392495 /nfs/dbraw/zinc/39/24/95/880392495.db2.gz QJZQBOLGFQDHSU-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000476274246 884333921 /nfs/dbraw/zinc/33/39/21/884333921.db2.gz RWBKZNGTKXOSSU-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc4ccccc4o3)c2)n1 ZINC000131730053 886502549 /nfs/dbraw/zinc/50/25/49/886502549.db2.gz HPAQTHMAHWCMAP-UHFFFAOYSA-N -2 3 395.440 3.546 20 0 GHADHL CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000322049461 888548184 /nfs/dbraw/zinc/54/81/84/888548184.db2.gz ALDOJRSTUIAULL-UHFFFAOYSA-N -2 3 398.278 3.819 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)Cl)cc1 ZINC001185914298 914197914 /nfs/dbraw/zinc/19/79/14/914197914.db2.gz NWMDJDIUWSITEG-UHFFFAOYSA-N -2 3 391.779 3.662 20 0 GHADHL COc1cnc([C@H]2CCCN2C(=O)c2cc(Cl)c3ccccc3c2[O-])[n-]c1=O ZINC000889790455 904762726 /nfs/dbraw/zinc/76/27/26/904762726.db2.gz RIKVJLMKAAKZGK-OAHLLOKOSA-N -2 3 399.834 3.680 20 0 GHADHL COc1ccc2cc(S(=O)(=O)[N-]c3ccc([S-])c(OC)c3)ccc2c1 ZINC001191972711 918346627 /nfs/dbraw/zinc/34/66/27/918346627.db2.gz XNZZWZSVDGZVFR-UHFFFAOYSA-N -2 3 375.471 3.947 20 0 GHADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c1 ZINC000800845039 920523140 /nfs/dbraw/zinc/52/31/40/920523140.db2.gz YDIVAPYAIWQEKT-UHFFFAOYSA-N -2 3 395.742 3.580 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1C ZINC000544097741 928803855 /nfs/dbraw/zinc/80/38/55/928803855.db2.gz WDGRWKCKJJSTPU-LBPRGKRZSA-N -2 3 377.462 3.691 20 0 GHADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)c1 ZINC001116914651 933826126 /nfs/dbraw/zinc/82/61/26/933826126.db2.gz ZCSICWBHWCNEGX-UHFFFAOYSA-N -2 3 384.251 3.548 20 0 GHADHL O=C([O-])[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1ccccc1 ZINC001601568796 971018425 /nfs/dbraw/zinc/01/84/25/971018425.db2.gz ORKFQQIYSBZHHE-NRFANRHFSA-N -2 3 375.424 3.733 20 0 GHADHL CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000326815069 971331475 /nfs/dbraw/zinc/33/14/75/971331475.db2.gz WISVQBMBSXRUTQ-CMPLNLGQSA-N -2 3 375.437 3.546 20 0 GHADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)c1ccccc1 ZINC001592521608 978374907 /nfs/dbraw/zinc/37/49/07/978374907.db2.gz XBFLMKICACXBHY-NSHDSACASA-N -2 3 385.844 3.649 20 0 GHADHL CCc1cccc(C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)c1[O-] ZINC001597570686 988348654 /nfs/dbraw/zinc/34/86/54/988348654.db2.gz YHHVJGVZAXQELV-UHFFFAOYSA-N -2 3 381.350 3.700 20 0 GHADHL CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1c(C)cccc1[O-] ZINC000629987456 1020788445 /nfs/dbraw/zinc/78/84/45/1020788445.db2.gz LTGLDCIXFSLUKP-SFHVURJKSA-N -2 3 393.487 3.554 20 0 GHADHL O=c1c(OC[C@H]2CCC=CO2)c(-c2ccc(O)cc2)oc2cc([O-])cc([O-])c12 ZINC001225624984 1031515946 /nfs/dbraw/zinc/51/59/46/1031515946.db2.gz GPHAJGMWYLSJTJ-OAHLLOKOSA-N -2 3 382.368 3.648 20 0 GHADHL O=P([O-])([O-])C1(Nc2ncccc2OCc2ccccc2)Cc2ccccc2C1 ZINC001157160557 1033439080 /nfs/dbraw/zinc/43/90/80/1033439080.db2.gz QUEBVDYHTAPLOC-UHFFFAOYSA-N -2 3 396.383 3.745 20 0 GHADHL CCOC(=O)[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)C1CC1 ZINC001229773754 1033703862 /nfs/dbraw/zinc/70/38/62/1033703862.db2.gz MYZJZAZKZAIOMS-HXUWFJFHSA-N -2 3 396.395 3.592 20 0 GHADHL COC(=O)C1(C)CC(Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)C1 ZINC001229774772 1033705776 /nfs/dbraw/zinc/70/57/76/1033705776.db2.gz VERSGZHDPSQIOQ-UHFFFAOYSA-N -2 3 396.395 3.592 20 0 GHADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)c([O-])c1 ZINC001253046748 1039376942 /nfs/dbraw/zinc/37/69/42/1039376942.db2.gz CLAKPKJSOVDJJF-VAWYXSNFSA-N -2 3 375.446 3.760 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1cccc(Br)c1 ZINC001257858937 1044224983 /nfs/dbraw/zinc/22/49/83/1044224983.db2.gz APTIWYTYVYDOPU-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Br)c1ccc(Cl)cc1Cl ZINC001258833450 1044778441 /nfs/dbraw/zinc/77/84/41/1044778441.db2.gz SXSFQJDIVGRKHW-UHFFFAOYSA-N -2 3 398.065 3.657 20 0 GHADHL CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1c([O-])cccc1C(F)(F)F)C(=O)C2 ZINC001258973674 1044913264 /nfs/dbraw/zinc/91/32/64/1044913264.db2.gz QOUICGOBEHLKRM-QFYYESIMSA-N -2 3 391.411 3.548 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260867420 1045723196 /nfs/dbraw/zinc/72/31/96/1045723196.db2.gz XPDDFQRUDBXGLV-UHFFFAOYSA-N -3 3 391.257 3.815 20 0 GHADHL O=S(=O)([N-]c1ccc(Cn2ccnc2)cc1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260874990 1045731585 /nfs/dbraw/zinc/73/15/85/1045731585.db2.gz IFWZAKHSTGNGFP-UHFFFAOYSA-N -2 3 398.271 3.745 20 0 GHADHL O=C(Nc1cccc(Cl)c1[O-])c1c[n-]c2ccc(Br)cc2c1=O ZINC001466536942 1066182593 /nfs/dbraw/zinc/18/25/93/1066182593.db2.gz LZFRNZRNBXEFNC-UHFFFAOYSA-N -2 3 393.624 3.902 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CCCC2)o1 ZINC000740173413 599779783 /nfs/dbraw/zinc/77/97/83/599779783.db2.gz NKHPLBAMASKHTF-MRXNPFEDSA-N -2 3 383.853 3.841 20 0 GHADHL Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c(C)c1C ZINC000738288490 600303011 /nfs/dbraw/zinc/30/30/11/600303011.db2.gz DUTPZXFKRGDLJK-UHFFFAOYSA-N -2 3 376.478 3.797 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(Cl)c1Cl ZINC000460420811 601045899 /nfs/dbraw/zinc/04/58/99/601045899.db2.gz AYXJSUXXYPEVPC-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1Cl ZINC000745978884 601485723 /nfs/dbraw/zinc/48/57/23/601485723.db2.gz UTNQYUHEKFBIMC-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2F)c1Cl ZINC000548193559 601809846 /nfs/dbraw/zinc/80/98/46/601809846.db2.gz SSPQMGLIPPPAJR-CYBMUJFWSA-N -2 3 392.235 3.545 20 0 GHADHL Cc1sc2[n-]c([C@@H](C)OC(=O)Cc3cccc(C(=O)[O-])c3)nc(=O)c2c1C ZINC000833758711 604730228 /nfs/dbraw/zinc/73/02/28/604730228.db2.gz NEICYJYYGWKPEN-SNVBAGLBSA-N -2 3 386.429 3.559 20 0 GHADHL CC(C)c1ccc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c([O-])c1 ZINC000827111972 604787836 /nfs/dbraw/zinc/78/78/36/604787836.db2.gz CFTKUOLFUQDCRI-UHFFFAOYSA-N -2 3 382.460 3.931 20 0 GHADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000765646923 605118861 /nfs/dbraw/zinc/11/88/61/605118861.db2.gz LGZAICRAMIFJLM-UHFFFAOYSA-N -2 3 386.832 3.798 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(C(=O)[O-])c3ccccc3)c2)n1 ZINC000827556983 605642421 /nfs/dbraw/zinc/64/24/21/605642421.db2.gz OPDZJTRIEIGTFF-UHFFFAOYSA-N -2 3 392.415 3.535 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1F ZINC000547870140 837320951 /nfs/dbraw/zinc/32/09/51/837320951.db2.gz BAOVDXFWNHCESC-OAHLLOKOSA-N -2 3 397.811 3.638 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc(C(=O)[O-])c1C ZINC000471121825 834785531 /nfs/dbraw/zinc/78/55/31/834785531.db2.gz UICZQVQJBOWBPE-UHFFFAOYSA-N -2 3 387.379 3.907 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)c1Cl ZINC000547866344 837310167 /nfs/dbraw/zinc/31/01/67/837310167.db2.gz DZXKDDSVVPCLGE-NSHDSACASA-N -2 3 394.301 3.858 20 0 GHADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000323411857 838232160 /nfs/dbraw/zinc/23/21/60/838232160.db2.gz DUVQBRZDIKUZTM-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1C(C)C ZINC000432690332 843483685 /nfs/dbraw/zinc/48/36/85/843483685.db2.gz PKBUWOOHAVQESI-UHFFFAOYSA-N -2 3 377.462 3.934 20 0 GHADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1cccs1 ZINC000548524493 845343579 /nfs/dbraw/zinc/34/35/79/845343579.db2.gz KACUGWQYHQREID-SNVBAGLBSA-N -2 3 399.799 3.525 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000548546626 845466409 /nfs/dbraw/zinc/46/64/09/845466409.db2.gz SCWCRQMCHNQJPN-HNNXBMFYSA-N -2 3 397.811 3.638 20 0 GHADHL Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3C)c2)n1 ZINC000511140994 847415894 /nfs/dbraw/zinc/41/58/94/847415894.db2.gz AOVUSLUTOOLQFA-UHFFFAOYSA-N -2 3 399.472 3.605 20 0 GHADHL Cc1nc(C=Cc2cc(Br)ccc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000504729085 850276444 /nfs/dbraw/zinc/27/64/44/850276444.db2.gz HSMPHCMVBBYOAJ-GORDUTHDSA-N -2 3 383.629 3.704 20 0 GHADHL Cc1cccc2nc(-c3ccc([O-])c(I)c3)[n-]c(=O)c12 ZINC000436751184 852292091 /nfs/dbraw/zinc/29/20/91/852292091.db2.gz QIBPHLZTCQGLMJ-UHFFFAOYSA-N -2 3 378.169 3.621 20 0 GHADHL O=C(Nc1cc([O-])c(Br)cc1Br)c1ccccc1[O-] ZINC000436911681 852478886 /nfs/dbraw/zinc/47/88/86/852478886.db2.gz FRTRPHWHLFQYRU-UHFFFAOYSA-N -2 3 387.027 3.875 20 0 GHADHL O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(-c2ccc(F)cc2)on1 ZINC000436918119 852497734 /nfs/dbraw/zinc/49/77/34/852497734.db2.gz GNQKNEIXTVENAF-UHFFFAOYSA-N -2 3 399.769 3.877 20 0 GHADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000509587649 853018842 /nfs/dbraw/zinc/01/88/42/853018842.db2.gz SGHLXVOZHARDBC-UHFFFAOYSA-N -2 3 375.446 3.634 20 0 GHADHL Cc1noc(=NC([O-])=CSc2nc3c(o2)c(Cl)cc(Cl)c3Cl)[n-]1 ZINC000440605015 853423171 /nfs/dbraw/zinc/42/31/71/853423171.db2.gz KCUBHSHZNYSESB-UHFFFAOYSA-N -2 3 393.639 3.632 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1C(=O)[O-] ZINC000481959572 862553135 /nfs/dbraw/zinc/55/31/35/862553135.db2.gz AVBNFRSKABWOCH-UHFFFAOYSA-N -2 3 393.436 3.873 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)c(NC(C)(C)C)cc2C(=O)[O-])cc1 ZINC000573733314 856458979 /nfs/dbraw/zinc/45/89/79/856458979.db2.gz JXOLNUQLGGEPAM-UHFFFAOYSA-N -2 3 396.440 3.544 20 0 GHADHL CCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000603544818 860816157 /nfs/dbraw/zinc/81/61/57/860816157.db2.gz HFVVBCVUZSEUCN-CYBMUJFWSA-N -2 3 392.477 3.576 20 0 GHADHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000392988862 882010743 /nfs/dbraw/zinc/01/07/43/882010743.db2.gz AIACZNYMBTVWCO-UHFFFAOYSA-N -2 3 376.821 3.696 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)c1 ZINC000540496650 871424875 /nfs/dbraw/zinc/42/48/75/871424875.db2.gz OXXDIRSQKSYPSE-UHFFFAOYSA-N -2 3 392.658 3.618 20 0 GHADHL N#CC1(CS(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)CCCCC1 ZINC000547544988 871656544 /nfs/dbraw/zinc/65/65/44/871656544.db2.gz JTPTWEYSETUODF-UHFFFAOYSA-N -2 3 390.383 3.619 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000551910634 878008454 /nfs/dbraw/zinc/00/84/54/878008454.db2.gz CKMPVRSZVRPKQJ-ZDUSSCGKSA-N -2 3 395.502 3.678 20 0 GHADHL Cc1nc(C=Cc2c(F)cccc2OC(F)(F)F)[n-]c(=O)c1CCC(=O)[O-] ZINC000551348470 883716290 /nfs/dbraw/zinc/71/62/90/883716290.db2.gz KMXPYFWAFFOEFO-ALCCZGGFSA-N -2 3 386.301 3.716 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)c(C)c1 ZINC000476274513 884334535 /nfs/dbraw/zinc/33/45/35/884334535.db2.gz HIIPYAFUZQIVBX-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(OC(F)(F)F)ccc2F)cc1C(=O)[O-] ZINC001184691717 913360267 /nfs/dbraw/zinc/36/02/67/913360267.db2.gz KBPSMGKXDMYVLO-UHFFFAOYSA-N -2 3 393.314 3.532 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc(Cl)c1Cl ZINC000821111987 897714432 /nfs/dbraw/zinc/71/44/32/897714432.db2.gz XFMQVZLLKGWNID-UHFFFAOYSA-N -2 3 396.635 3.851 20 0 GHADHL O=C(N=c1sccn1Cc1cccc2ccccc21)c1ccc([O-])cc1[O-] ZINC001143882736 900680732 /nfs/dbraw/zinc/68/07/32/900680732.db2.gz QUXGLEJRJDIKMD-UHFFFAOYSA-N -2 3 376.437 3.903 20 0 GHADHL Nc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1Cl ZINC001175319712 907500490 /nfs/dbraw/zinc/50/04/90/907500490.db2.gz BBYOMUPFAYHDNE-UHFFFAOYSA-N -2 3 395.651 3.728 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1ccc(F)c(Br)c1 ZINC001187002217 914968512 /nfs/dbraw/zinc/96/85/12/914968512.db2.gz QFZUHTWGUQNANU-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc([O-])cc(Cl)c1 ZINC001191115101 917765140 /nfs/dbraw/zinc/76/51/40/917765140.db2.gz UIZVGOJDCRKGFW-UHFFFAOYSA-N -2 3 392.658 3.618 20 0 GHADHL O=C([O-])c1cc(Br)ccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000324262748 971103072 /nfs/dbraw/zinc/10/30/72/971103072.db2.gz HUTDNOACYIWUIG-UHFFFAOYSA-N -2 3 387.189 3.653 20 0 GHADHL CC(C)c1ccc(CCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001591952668 976512977 /nfs/dbraw/zinc/51/29/77/976512977.db2.gz LIEOFSUDYULKSZ-UHFFFAOYSA-N -2 3 397.443 3.698 20 0 GHADHL CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001597258023 987265536 /nfs/dbraw/zinc/26/55/36/987265536.db2.gz FDWQDNBVHHMACN-VXGBXAGGSA-N -2 3 395.905 3.520 20 0 GHADHL CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001590967791 991086325 /nfs/dbraw/zinc/08/63/25/991086325.db2.gz HQZXQYWICZSHJD-QGZVFWFLSA-N -2 3 385.869 3.567 20 0 GHADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)[C@H](C)c1ccccc1 ZINC001593326336 994876486 /nfs/dbraw/zinc/87/64/86/994876486.db2.gz KDFKTHLIKYWXBO-WDEREUQCSA-N -2 3 385.844 3.648 20 0 GHADHL CC1(C)CCC[C@]([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)(C(=O)[O-])C1 ZINC001593899830 996766764 /nfs/dbraw/zinc/76/67/64/996766764.db2.gz UMOMCYBMVJSGOZ-GOSISDBHSA-N -2 3 394.518 3.512 20 0 GHADHL C[C@@]1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCCC[C@@H]1C(=O)[O-] ZINC001594056118 997794547 /nfs/dbraw/zinc/79/45/47/997794547.db2.gz MWMAXGALEQHWAT-AUSIDOKSSA-N -2 3 381.472 3.941 20 0 GHADHL C[C@H]1CC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C[C@H](C)C1 ZINC001594223207 998860582 /nfs/dbraw/zinc/86/05/82/998860582.db2.gz QCBZRGUIBZNBKF-NXEZZACHSA-N -2 3 377.865 3.528 20 0 GHADHL C[C@@H](Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])c1cnc2ccccn21 ZINC001228120243 1032796642 /nfs/dbraw/zinc/79/66/42/1032796642.db2.gz RZMMCOXXGIOBTG-CYBMUJFWSA-N -2 3 390.395 3.822 20 0 GHADHL CCOC[C@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(OC)cc1 ZINC001229670305 1033630611 /nfs/dbraw/zinc/63/06/11/1033630611.db2.gz ANWPWFIEKMXIKH-LBPRGKRZSA-N -2 3 386.400 3.684 20 0 GHADHL CCOC(=O)[C@H]1C[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)C1 ZINC001229773722 1033704449 /nfs/dbraw/zinc/70/44/49/1033704449.db2.gz MEYAMLLKVXXKDX-OTVXOJSOSA-N -2 3 396.395 3.592 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c([S-])cccc2Cl)c(F)cc1Cl ZINC001259221118 1045018110 /nfs/dbraw/zinc/01/81/10/1045018110.db2.gz RFKSWYLBFHQORN-UHFFFAOYSA-N -3 3 396.248 3.920 20 0 GHADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2C)cn1 ZINC001260190368 1045405953 /nfs/dbraw/zinc/40/59/53/1045405953.db2.gz HGGWDGVBMWWLHZ-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2ccc(Cl)c([O-])c2)c1 ZINC001297827295 1045630416 /nfs/dbraw/zinc/63/04/16/1045630416.db2.gz VHRULZUKTXANQE-UHFFFAOYSA-N -2 3 386.757 3.785 20 0 GHADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)ccc1C ZINC001260875148 1045731514 /nfs/dbraw/zinc/73/15/14/1045731514.db2.gz LNOVEMBCGTWQBZ-UHFFFAOYSA-N -2 3 389.260 3.767 20 0 GHADHL Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000391311119 1047544598 /nfs/dbraw/zinc/54/45/98/1047544598.db2.gz IXWOWYQUIZMKMS-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL CCC(C)(C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001290597403 1049885337 /nfs/dbraw/zinc/88/53/37/1049885337.db2.gz UMWMBNXKGYCYRW-UHFFFAOYSA-N -2 3 396.896 3.765 20 0 GHADHL CC/C=C\CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001450232725 1060557893 /nfs/dbraw/zinc/55/78/93/1060557893.db2.gz CTCCTXNWYOXVBH-ARJAWSKDSA-N -2 3 394.880 3.542 20 0 GHADHL O=S(=O)([N-]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1cccc(Cl)c1[O-] ZINC000451008044 450603411 /nfs/dbraw/zinc/60/34/11/450603411.db2.gz FETDPOYAMBVLHD-JKSUJKDBSA-N -2 3 397.880 3.529 20 0 GHADHL O=C([O-])[C@H](OC(=O)c1cccc(Br)c1[O-])c1cccc(Cl)c1 ZINC000740300989 600330471 /nfs/dbraw/zinc/33/04/71/600330471.db2.gz YUTWKHHPOJWREM-CYBMUJFWSA-N -2 3 385.597 3.791 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)ccc1C(=O)[O-] ZINC000507933584 601475768 /nfs/dbraw/zinc/47/57/68/601475768.db2.gz CXWRAHPEOSCPPT-UHFFFAOYSA-N -2 3 379.409 3.564 20 0 GHADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1csc(=NC2CC2)[n-]1 ZINC000535656790 843384566 /nfs/dbraw/zinc/38/45/66/843384566.db2.gz SQAGKTWRQONRAH-UHFFFAOYSA-N -2 3 388.674 3.513 20 0 GHADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2OC(C)C)ccc1[O-] ZINC000481610520 861838049 /nfs/dbraw/zinc/83/80/49/861838049.db2.gz JLRSXSQWKRMTCK-UHFFFAOYSA-N -2 3 398.868 3.592 20 0 GHADHL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)C(=O)[O-] ZINC000504680325 850233418 /nfs/dbraw/zinc/23/34/18/850233418.db2.gz LHNIXWXHJWGNPS-GFCCVEGCSA-N -2 3 377.487 3.541 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000515695324 851370064 /nfs/dbraw/zinc/37/00/64/851370064.db2.gz LLYAPOSEGFCAGJ-UHFFFAOYSA-N -2 3 377.462 3.919 20 0 GHADHL O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436476979 851966737 /nfs/dbraw/zinc/96/67/37/851966737.db2.gz KSVANMPILFOORS-UHFFFAOYSA-N -2 3 384.335 3.867 20 0 GHADHL CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cc1[O-] ZINC000436653402 852143698 /nfs/dbraw/zinc/14/36/98/852143698.db2.gz DRGOXVJFVDJSJB-UHFFFAOYSA-N -2 3 384.613 3.969 20 0 GHADHL O=C(Nc1ccc(F)cc1[O-])[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000481851626 862400886 /nfs/dbraw/zinc/40/08/86/862400886.db2.gz MQMONXIJAGXSAH-HAQNSBGRSA-N -2 3 390.386 3.760 20 0 GHADHL COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(Cl)cc1C(=O)[O-] ZINC000485282462 856302815 /nfs/dbraw/zinc/30/28/15/856302815.db2.gz DOAXWYJAZDXQPP-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1F ZINC000519741439 857126547 /nfs/dbraw/zinc/12/65/47/857126547.db2.gz GMFPKSUJCWRUAV-UHFFFAOYSA-N -2 3 378.208 3.773 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1Oc1cccnc1 ZINC000057126394 857150436 /nfs/dbraw/zinc/15/04/36/857150436.db2.gz JNYOJLRCXGWZNI-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C(C)C)c1 ZINC000486090239 857415042 /nfs/dbraw/zinc/41/50/42/857415042.db2.gz NGLUPMOQKMEXFJ-UHFFFAOYSA-N -2 3 387.461 3.511 20 0 GHADHL C=CCn1c(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2[n-]c1=S ZINC000109127336 857758550 /nfs/dbraw/zinc/75/85/50/857758550.db2.gz YISPSHKOVLCNSZ-UHFFFAOYSA-N -2 3 387.848 3.856 20 0 GHADHL Cc1cc(Br)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443437133 858678520 /nfs/dbraw/zinc/67/85/20/858678520.db2.gz BYYFSLTUIWQSKZ-DAXSKMNVSA-N -2 3 377.238 3.749 20 0 GHADHL O=S(=O)([N-]c1ccc(F)cc1[O-])C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000765102369 859787847 /nfs/dbraw/zinc/78/78/47/859787847.db2.gz LNMRDWLIKCVVKD-UHFFFAOYSA-N -2 3 385.363 3.862 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)ccc1OC(C)C ZINC000525020396 869899947 /nfs/dbraw/zinc/89/99/47/869899947.db2.gz BTBPTXSIGMUNIH-UHFFFAOYSA-N -2 3 377.462 3.898 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)ccc1[S-] ZINC001193799597 871314211 /nfs/dbraw/zinc/31/42/11/871314211.db2.gz SCQMOUQNJDXJJY-UHFFFAOYSA-N -2 3 392.271 3.686 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c(C(F)(F)F)c1 ZINC000540496228 871421454 /nfs/dbraw/zinc/42/14/54/871421454.db2.gz LDWPLGPZYLCBEV-UHFFFAOYSA-N -2 3 391.367 3.619 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000539400622 871904509 /nfs/dbraw/zinc/90/45/09/871904509.db2.gz RWTVIOGKSVNAPQ-UHFFFAOYSA-N -2 3 386.429 3.734 20 0 GHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC000767735433 872810644 /nfs/dbraw/zinc/81/06/44/872810644.db2.gz GZVKQIFIUZSQSD-UHFFFAOYSA-N -2 3 387.816 3.765 20 0 GHADHL O=C(Nc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1)c1ccc([O-])c(F)c1 ZINC000794346635 882711461 /nfs/dbraw/zinc/71/14/61/882711461.db2.gz KUOLVLOBGAQPCV-UHFFFAOYSA-N -2 3 384.338 3.881 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)c1 ZINC000538299033 879206845 /nfs/dbraw/zinc/20/68/45/879206845.db2.gz ULTXRUJEWFIMCM-UHFFFAOYSA-N -2 3 376.434 3.640 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2C)c(C)c1 ZINC000476281234 884343480 /nfs/dbraw/zinc/34/34/80/884343480.db2.gz XLAHSWYFVPIMFF-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL CSCCc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1 ZINC000763280418 888441619 /nfs/dbraw/zinc/44/16/19/888441619.db2.gz KQJFPZQQZAOFSX-UHFFFAOYSA-N -2 3 383.466 3.539 20 0 GHADHL Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000682706496 926213295 /nfs/dbraw/zinc/21/32/95/926213295.db2.gz ZZSPCUYQUQXDAD-UHFFFAOYSA-N -2 3 399.472 3.803 20 0 GHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000544630800 929366458 /nfs/dbraw/zinc/36/64/58/929366458.db2.gz MHGNHQCVVSSVFS-CQSZACIVSA-N -2 3 377.462 3.539 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc(C(=O)[O-])c1Cl ZINC000759091185 930270521 /nfs/dbraw/zinc/27/05/21/930270521.db2.gz LHSRFHOVLDZFFV-UHFFFAOYSA-N -2 3 391.779 3.749 20 0 GHADHL Cc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])c3cc(Br)ccc32)c1[O-] ZINC001594386984 958686914 /nfs/dbraw/zinc/68/69/14/958686914.db2.gz YIYSRTZOHXTBCH-GFCCVEGCSA-N -2 3 390.233 3.682 20 0 GHADHL CC(C)c1nc(NC(=O)c2cc([O-])cc(Br)c2)sc1C(=O)[O-] ZINC001592028526 976728155 /nfs/dbraw/zinc/72/81/55/976728155.db2.gz LXSAKRYMBLUGJY-UHFFFAOYSA-N -2 3 385.239 3.685 20 0 GHADHL CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001595593656 981558378 /nfs/dbraw/zinc/55/83/78/981558378.db2.gz DYFDCPPYTPKYMH-CQSZACIVSA-N -2 3 399.871 3.867 20 0 GHADHL CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001597256676 987258855 /nfs/dbraw/zinc/25/88/55/987258855.db2.gz MQHPGCVCSJMNTE-UWVGGRQHSA-N -2 3 395.905 3.520 20 0 GHADHL CCSCc1cc(C(=O)[N-]c2c3ccc(C)nc3sc2C(=O)[O-])no1 ZINC001597263159 987287377 /nfs/dbraw/zinc/28/73/77/987287377.db2.gz CPGSWMRQRISTST-UHFFFAOYSA-N -2 3 377.447 3.796 20 0 GHADHL C[C@@H]1CC(C)(C)C[C@](C)([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001599846889 988948783 /nfs/dbraw/zinc/94/87/83/988948783.db2.gz ASHLMMCLIJCHMB-BMLIUANNSA-N -2 3 375.437 3.546 20 0 GHADHL COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC001599654261 994552718 /nfs/dbraw/zinc/55/27/18/994552718.db2.gz VWYQJYRDJPWECV-JOCHJYFZSA-N -2 3 379.412 3.674 20 0 GHADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1c(C)c(C(=O)[O-])ccc1Cl ZINC001599421219 997598658 /nfs/dbraw/zinc/59/86/58/997598658.db2.gz PBZMFVBKCQWRPW-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL C[C@@H](CC(=O)OC(C)(C)C)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228119535 1032794482 /nfs/dbraw/zinc/79/44/82/1032794482.db2.gz HZIDRWFUOLOEPY-LBPRGKRZSA-N -2 3 388.416 3.534 20 0 GHADHL CCOc1ccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)cc1 ZINC001215471220 1029226058 /nfs/dbraw/zinc/22/60/58/1029226058.db2.gz RCZIHLRWCHFNSN-UHFFFAOYSA-N -2 3 377.194 3.976 20 0 GHADHL O=P([O-])([O-])CCCCO[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC001225018597 1031214286 /nfs/dbraw/zinc/21/42/86/1031214286.db2.gz BRAMJWZUFFBRSU-ZDUSSCGKSA-N -2 3 382.224 3.542 20 0 GHADHL Cc1cc(-c2ncccc2S(=O)(=O)[N-]c2cccc(F)c2)cc([O-])c1F ZINC001244507345 1036524923 /nfs/dbraw/zinc/52/49/23/1036524923.db2.gz JQNAWJIXHWEELW-UHFFFAOYSA-N -2 3 376.384 3.842 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Br)c1cccc(Cl)c1Cl ZINC001257205667 1043935410 /nfs/dbraw/zinc/93/54/10/1043935410.db2.gz RRTNFLPIKCZIMH-UHFFFAOYSA-N -2 3 398.065 3.657 20 0 GHADHL CC(C)P(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(C)C ZINC001259225846 1045019837 /nfs/dbraw/zinc/01/98/37/1045019837.db2.gz JXGMNIQTEPQAHF-UHFFFAOYSA-N -2 3 397.836 3.754 20 0 GHADHL COc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2)cc1 ZINC001260189655 1045405296 /nfs/dbraw/zinc/40/52/96/1045405296.db2.gz UOKIFKGNEIWXCY-UHFFFAOYSA-N -2 3 399.424 3.987 20 0 GHADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001472546539 1073542637 /nfs/dbraw/zinc/54/26/37/1073542637.db2.gz YMOWTINEUKZZGZ-UHFFFAOYSA-N -2 3 387.395 3.579 20 0 GHADHL O=S(=O)([N-]c1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cccc(Cl)c1[O-] ZINC000451008042 450602813 /nfs/dbraw/zinc/60/28/13/450602813.db2.gz FETDPOYAMBVLHD-HOTGVXAUSA-N -2 3 397.880 3.529 20 0 GHADHL CC(=O)N(c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1)[C@@H]1C[C@@H]1C ZINC000556267058 452921386 /nfs/dbraw/zinc/92/13/86/452921386.db2.gz WDYCWWPQPZBXOI-MEDUHNTESA-N -2 3 394.880 3.608 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000730767355 599739460 /nfs/dbraw/zinc/73/94/60/599739460.db2.gz PSWPWSJKDAPRKD-UHFFFAOYSA-N -2 3 394.880 3.748 20 0 GHADHL C[C@]([N-]C(=O)C(F)(F)c1ccccc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736633748 599836469 /nfs/dbraw/zinc/83/64/69/599836469.db2.gz VMAOJLRLBLIULU-MRXNPFEDSA-N -2 3 398.203 3.657 20 0 GHADHL O=C([O-])c1coc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000740259390 600146778 /nfs/dbraw/zinc/14/67/78/600146778.db2.gz UXWHMZMIFACSLJ-UHFFFAOYSA-N -2 3 379.394 3.687 20 0 GHADHL O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000740024585 600447299 /nfs/dbraw/zinc/44/72/99/600447299.db2.gz FPKSVWKZOPFVCE-UHFFFAOYSA-N -2 3 389.260 3.604 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c(C)c1 ZINC000516411348 600543906 /nfs/dbraw/zinc/54/39/06/600543906.db2.gz IZZKFULINZZOCP-UHFFFAOYSA-N -2 3 393.461 3.682 20 0 GHADHL O=C([O-])C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c2ccccc21 ZINC000739654010 600960855 /nfs/dbraw/zinc/96/08/55/600960855.db2.gz QDQLIOLPVIFFEB-GFCCVEGCSA-N -2 3 375.384 3.660 20 0 GHADHL O=C([O-])[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(Cl)cc1Cl ZINC000833351665 601098603 /nfs/dbraw/zinc/09/86/03/601098603.db2.gz SWUKLEJYXHRDMS-CQSZACIVSA-N -2 3 381.171 3.959 20 0 GHADHL O=C([O-])[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(Cl)cc1Cl ZINC000833351665 601098608 /nfs/dbraw/zinc/09/86/08/601098608.db2.gz SWUKLEJYXHRDMS-CQSZACIVSA-N -2 3 381.171 3.959 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(C)c1 ZINC000829538033 601326048 /nfs/dbraw/zinc/32/60/48/601326048.db2.gz RZGWEOLUBOKCID-IZZDOVSWSA-N -2 3 375.446 3.682 20 0 GHADHL O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000833178035 601540655 /nfs/dbraw/zinc/54/06/55/601540655.db2.gz DKTUMXRSPSIWLQ-ZBFHGGJFSA-N -2 3 395.459 3.937 20 0 GHADHL CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000317895994 601987030 /nfs/dbraw/zinc/98/70/30/601987030.db2.gz PGFIYCJFHMADES-UHFFFAOYSA-N -2 3 384.251 3.511 20 0 GHADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000827129240 604808186 /nfs/dbraw/zinc/80/81/86/604808186.db2.gz KWHZRXXXAOPNMM-UHFFFAOYSA-N -2 3 383.853 3.728 20 0 GHADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cc2cc(Cl)ccc2s1 ZINC000433513469 844517809 /nfs/dbraw/zinc/51/78/09/844517809.db2.gz ZUPQZLFZZNNZSJ-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000467082078 842239761 /nfs/dbraw/zinc/23/97/61/842239761.db2.gz OIFPIAORVWAKIB-UHFFFAOYSA-N -2 3 391.489 3.930 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c1Cl ZINC000548260342 842321241 /nfs/dbraw/zinc/32/12/41/842321241.db2.gz DGNDZRMLJWDUMP-QWRGUYRKSA-N -2 3 382.309 3.860 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc1C ZINC000435722681 850807470 /nfs/dbraw/zinc/80/74/70/850807470.db2.gz KMTVNBTXECCEAZ-UHFFFAOYSA-N -2 3 383.853 3.773 20 0 GHADHL O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000436715379 852238088 /nfs/dbraw/zinc/23/80/88/852238088.db2.gz KXDPMIAKVUZIDU-UHFFFAOYSA-N -2 3 381.285 3.694 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000440814143 853634262 /nfs/dbraw/zinc/63/42/62/853634262.db2.gz YIIOYAAHRXAODA-UHFFFAOYSA-N -2 3 377.462 3.925 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1C(=O)[O-] ZINC000440832263 853663824 /nfs/dbraw/zinc/66/38/24/853663824.db2.gz OTGCXDQCOUKXNS-UHFFFAOYSA-N -2 3 379.503 3.654 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000058518888 862547674 /nfs/dbraw/zinc/54/76/74/862547674.db2.gz LYZQYXCHXLJRFH-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507949280 856734447 /nfs/dbraw/zinc/73/44/47/856734447.db2.gz GBYFMVNVEYHMRC-UHFFFAOYSA-N -2 3 396.468 3.788 20 0 GHADHL O=S(=O)([N-]c1cc(Br)ccc1[O-])C1=Cc2ccccc2OCC1 ZINC000187012215 862912256 /nfs/dbraw/zinc/91/22/56/862912256.db2.gz KVWPAUFEFYFXRA-UHFFFAOYSA-N -2 3 396.262 3.720 20 0 GHADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1cccs1 ZINC000682697333 858386623 /nfs/dbraw/zinc/38/66/23/858386623.db2.gz BTADRAHGHYQAES-MRVPVSSYSA-N -2 3 398.264 3.688 20 0 GHADHL Cc1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)sc1Br ZINC000443449477 858685300 /nfs/dbraw/zinc/68/53/00/858685300.db2.gz BNCFWAOCFSGFSH-HYXAFXHYSA-N -2 3 383.267 3.811 20 0 GHADHL O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(I)c([O-])c1 ZINC000230903680 864005351 /nfs/dbraw/zinc/00/53/51/864005351.db2.gz QWRGSBFNSLPEND-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(CCCC(=O)[O-])cc3)ccc2O1 ZINC000535399161 868689378 /nfs/dbraw/zinc/68/93/78/868689378.db2.gz AKZBJWSRLZWNME-UHFFFAOYSA-N -2 3 389.473 3.608 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)cc2)cc1C(=O)[O-] ZINC001192648723 870557286 /nfs/dbraw/zinc/55/72/86/870557286.db2.gz GOQLSJFCMVSUFX-UHFFFAOYSA-N -2 3 398.440 3.646 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3)nc2)c1 ZINC000539400881 871903307 /nfs/dbraw/zinc/90/33/07/871903307.db2.gz ZQEBQLPPDBHQBS-UHFFFAOYSA-N -2 3 386.429 3.697 20 0 GHADHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C(F)(F)F ZINC000182496057 872436911 /nfs/dbraw/zinc/43/69/11/872436911.db2.gz XANPJASNOMDBIZ-UHFFFAOYSA-N -2 3 376.743 3.737 20 0 GHADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000182492090 872451024 /nfs/dbraw/zinc/45/10/24/872451024.db2.gz ZFLGHODPYBEJLM-UHFFFAOYSA-N -2 3 376.659 3.917 20 0 GHADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccc1[S-])c1ccc2nccnc2c1 ZINC001198144740 874245649 /nfs/dbraw/zinc/24/56/49/874245649.db2.gz LVZKMDQZOYSILG-UHFFFAOYSA-N -2 3 385.392 3.738 20 0 GHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1 ZINC000542235718 875197407 /nfs/dbraw/zinc/19/74/07/875197407.db2.gz KQEJMOJBWILOSL-CQSZACIVSA-N -2 3 377.462 3.854 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c(C)c(OC)c1 ZINC000451043127 877255676 /nfs/dbraw/zinc/25/56/76/877255676.db2.gz GASBLXXYIMUFAE-UHFFFAOYSA-N -2 3 391.367 3.537 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc(C(=O)[O-])c1F ZINC000763274350 888429028 /nfs/dbraw/zinc/42/90/28/888429028.db2.gz CXVDVKGMTFAUAA-UHFFFAOYSA-N -2 3 393.314 3.532 20 0 GHADHL COc1cccc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2)c1 ZINC000614881417 891525396 /nfs/dbraw/zinc/52/53/96/891525396.db2.gz CRPOWEZBIIGRFP-UHFFFAOYSA-N -2 3 399.424 3.987 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)c1 ZINC000537197267 894529147 /nfs/dbraw/zinc/52/91/47/894529147.db2.gz VGWXCLVZEBOCDS-UHFFFAOYSA-N -2 3 399.468 3.918 20 0 GHADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826450200 900586268 /nfs/dbraw/zinc/58/62/68/900586268.db2.gz ARCOSCHBDXJSEL-UHFFFAOYSA-N -2 3 384.610 3.785 20 0 GHADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826450200 900586277 /nfs/dbraw/zinc/58/62/77/900586277.db2.gz ARCOSCHBDXJSEL-UHFFFAOYSA-N -2 3 384.610 3.785 20 0 GHADHL Cc1cc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1O ZINC001187580819 915375027 /nfs/dbraw/zinc/37/50/27/915375027.db2.gz CQPAIQVGBIYDRD-UHFFFAOYSA-N -2 3 376.217 3.506 20 0 GHADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000362018018 917036884 /nfs/dbraw/zinc/03/68/84/917036884.db2.gz AEBMDHJZBKWTIE-UHFFFAOYSA-N -2 3 393.361 3.852 20 0 GHADHL COc1ccc2cc(S(=O)(=O)[N-]c3ccc(-n4ccc(=O)[n-]4)cc3)ccc2c1 ZINC001191972436 918344591 /nfs/dbraw/zinc/34/45/91/918344591.db2.gz QOPRAHFFLZEDDG-UHFFFAOYSA-N -2 3 395.440 3.541 20 0 GHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2F)cc1 ZINC001192132025 918430561 /nfs/dbraw/zinc/43/05/61/918430561.db2.gz PHDKFDZSVFYZPL-UHFFFAOYSA-N -2 3 391.342 3.663 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC001192132111 918431435 /nfs/dbraw/zinc/43/14/35/918431435.db2.gz VVYYZYXXWYFZAL-UHFFFAOYSA-N -2 3 377.462 3.684 20 0 GHADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000323224573 970979220 /nfs/dbraw/zinc/97/92/20/970979220.db2.gz WICHLAHFCMBBPH-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL O=C([O-])CC[C@@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC001606125958 973367823 /nfs/dbraw/zinc/36/78/23/973367823.db2.gz IKQRMXGRTGAAOD-LBPRGKRZSA-N -2 3 387.461 3.734 20 0 GHADHL CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)c([O-])c1 ZINC001591942616 976471016 /nfs/dbraw/zinc/47/10/16/976471016.db2.gz VXGGOTFGJVRCFJ-INIZCTEOSA-N -2 3 392.249 3.834 20 0 GHADHL CC[C@](NCc1nnc(-c2ccccc2[O-])o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304926 980441836 /nfs/dbraw/zinc/44/18/36/980441836.db2.gz BMMWLIMRHAQZBG-LJQANCHMSA-N -2 3 387.823 3.575 20 0 GHADHL CC(C)C1CCC([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CC1 ZINC001591082498 991598168 /nfs/dbraw/zinc/59/81/68/991598168.db2.gz SLKPJDOKBWOIGB-UHFFFAOYSA-N -2 3 377.865 3.670 20 0 GHADHL CC1(C)CCC[C@@]([N-]S(=O)(=O)c2csnc2-c2ccccc2)(C(=O)[O-])C1 ZINC001593898080 996759605 /nfs/dbraw/zinc/75/96/05/996759605.db2.gz AMJIQDJBMQIMRD-SFHVURJKSA-N -2 3 394.518 3.512 20 0 GHADHL C[C@@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001594363770 999373454 /nfs/dbraw/zinc/37/34/54/999373454.db2.gz LCQNACRWTJMXEF-MNOVXSKESA-N -2 3 377.865 3.672 20 0 GHADHL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000755980220 1023463673 /nfs/dbraw/zinc/46/36/73/1023463673.db2.gz VPYPTIQBXJDKNB-ZHACJKMWSA-N -2 3 395.864 3.778 20 0 GHADHL O=c1c(OC[C@H]2CCCCO2)c(-c2ccc(O)cc2)oc2cc([O-])cc([O-])c12 ZINC001225627216 1031517563 /nfs/dbraw/zinc/51/75/63/1031517563.db2.gz XOEVJDXMDKWUJQ-OAHLLOKOSA-N -2 3 384.384 3.525 20 0 GHADHL C[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1)c1cnccn1 ZINC001225627733 1031517998 /nfs/dbraw/zinc/51/79/98/1031517998.db2.gz GLNWPPPKBQGUOC-NSHDSACASA-N -2 3 392.367 3.507 20 0 GHADHL O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(-c2ccc(F)c([O-])c2)nc1 ZINC001243050819 1036018711 /nfs/dbraw/zinc/01/87/11/1036018711.db2.gz TUAPBVWVAQGMEX-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1nc2c(cccc2[O-])s1 ZINC001260027087 1045361227 /nfs/dbraw/zinc/36/12/27/1045361227.db2.gz ZQEABJWNAOJLFI-UHFFFAOYSA-N -2 3 388.392 3.963 20 0 GHADHL O=S(=O)([N-]c1ccc2c(c1)[C@H](O)CCC2)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260877385 1045734296 /nfs/dbraw/zinc/73/42/96/1045734296.db2.gz UYZQOMBBYCJWMN-OAHLLOKOSA-N -2 3 388.272 3.870 20 0 GHADHL O=c1ccc2cc([N-]S(=O)(=O)c3cc(Cl)c([O-])c(Cl)c3)ccc2o1 ZINC001260877883 1045735899 /nfs/dbraw/zinc/73/58/99/1045735899.db2.gz JKYICVGVBZHJNA-UHFFFAOYSA-N -2 3 386.212 3.606 20 0 GHADHL O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc2ccccc2c1[O-] ZINC001306827229 1048917187 /nfs/dbraw/zinc/91/71/87/1048917187.db2.gz WPHQBGXPCXIOEN-UHFFFAOYSA-N -2 3 380.791 3.942 20 0 GHADHL O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc2ccccc2c1[O-] ZINC001306827229 1048917192 /nfs/dbraw/zinc/91/71/92/1048917192.db2.gz WPHQBGXPCXIOEN-UHFFFAOYSA-N -2 3 380.791 3.942 20 0 GHADHL Cc1nc(-c2ccc(NC(=O)Nc3ccc(CCC(=O)[O-])cc3)cc2)cc(=O)[n-]1 ZINC000738830065 599805206 /nfs/dbraw/zinc/80/52/06/599805206.db2.gz UUCMMAQUIRWFBF-UHFFFAOYSA-N -2 3 392.415 3.819 20 0 GHADHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000390311538 599981205 /nfs/dbraw/zinc/98/12/05/599981205.db2.gz NWIINUCNVQXHDV-SNVBAGLBSA-N -2 3 394.301 3.939 20 0 GHADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(NC(=O)[O-])cc3)cc(Cl)c2O1 ZINC000736825515 600635593 /nfs/dbraw/zinc/63/55/93/600635593.db2.gz MZQOCMXXWBFXDM-VIFPVBQESA-N -2 3 382.825 3.554 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1Br ZINC000484790867 600680780 /nfs/dbraw/zinc/68/07/80/600680780.db2.gz VVQHDGJANJDHDG-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506647913 600891232 /nfs/dbraw/zinc/89/12/32/600891232.db2.gz YWQFTWHZRJBDKA-UHFFFAOYSA-N -2 3 382.441 3.864 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1 ZINC000607030668 600899240 /nfs/dbraw/zinc/89/92/40/600899240.db2.gz PTLIIXROICEHKQ-UHFFFAOYSA-N -2 3 377.462 3.557 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2[nH]c(C3CCC3)nc2c1 ZINC000832868390 601364998 /nfs/dbraw/zinc/36/49/98/601364998.db2.gz KWKYBNKDMHEOMN-UHFFFAOYSA-N -2 3 385.445 3.638 20 0 GHADHL O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000740701987 603057518 /nfs/dbraw/zinc/05/75/18/603057518.db2.gz PHAXCUYPJMPKKT-UHFFFAOYSA-N -2 3 392.293 3.696 20 0 GHADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000833418397 604992304 /nfs/dbraw/zinc/99/23/04/604992304.db2.gz OUZLTSKZULMKKD-GOSISDBHSA-N -2 3 381.472 3.946 20 0 GHADHL CC(C)c1csc(C[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n1 ZINC000833511388 605048571 /nfs/dbraw/zinc/04/85/71/605048571.db2.gz PDQAJQFISIPDLZ-UHFFFAOYSA-N -2 3 396.515 3.658 20 0 GHADHL O=S(=O)(CCC1Cc2ccccc2C1)[N-]c1cc(Br)ccc1[O-] ZINC000683903160 839371140 /nfs/dbraw/zinc/37/11/40/839371140.db2.gz ZMETXXJUEACVEM-UHFFFAOYSA-N -2 3 396.306 3.702 20 0 GHADHL O=C(Nc1cc(I)ccc1[O-])c1ccc([O-])c(Cl)c1 ZINC000610490334 840946785 /nfs/dbraw/zinc/94/67/85/840946785.db2.gz MAEDKSGOZNTNNB-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CC3(F)F)cc2)cc1C(=O)[O-] ZINC000663260745 842944000 /nfs/dbraw/zinc/94/40/00/842944000.db2.gz CVJXONMJLIVZJJ-INIZCTEOSA-N -2 3 397.399 3.534 20 0 GHADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000430975417 843316451 /nfs/dbraw/zinc/31/64/51/843316451.db2.gz MIKWUPNBTQLSFV-UHFFFAOYSA-N -2 3 386.857 3.574 20 0 GHADHL COc1ccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)cc1CC(=O)[O-] ZINC000007353379 861421471 /nfs/dbraw/zinc/42/14/71/861421471.db2.gz YWNSQYJCXPHETR-HWKANZROSA-N -2 3 376.792 3.586 20 0 GHADHL CC(C)c1cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc(C(C)C)n1 ZINC001167934530 844718600 /nfs/dbraw/zinc/71/86/00/844718600.db2.gz JXMRTKJLIZNZQJ-UHFFFAOYSA-N -2 3 375.409 3.808 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)c(C)c1C(=O)[O-] ZINC000512743633 845282188 /nfs/dbraw/zinc/28/21/88/845282188.db2.gz YGZHGDRSKVMBQY-UHFFFAOYSA-N -2 3 393.436 3.873 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(Br)ccc1Cl ZINC000504278807 849994803 /nfs/dbraw/zinc/99/48/03/849994803.db2.gz GPGJMPNBVZOLRF-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL CC(=O)c1ccc(C(=O)N2CCC([C@H](CC(=O)[O-])c3ccccc3)CC2)cc1[O-] ZINC000910033291 850964667 /nfs/dbraw/zinc/96/46/67/850964667.db2.gz HCQSZFXUCNUZGS-HXUWFJFHSA-N -2 3 395.455 3.706 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1C(=O)[O-] ZINC000440814450 853635932 /nfs/dbraw/zinc/63/59/32/853635932.db2.gz DEQXTOHNQSUNNQ-UHFFFAOYSA-N -2 3 377.462 3.844 20 0 GHADHL CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000570971198 853670002 /nfs/dbraw/zinc/67/00/02/853670002.db2.gz CLWPTLTVSZENJT-HNNXBMFYSA-N -2 3 396.534 3.808 20 0 GHADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(Cl)cc(F)c3F)c1)CCC2 ZINC000442239613 857642220 /nfs/dbraw/zinc/64/22/20/857642220.db2.gz GDXXDYVHTVSGRO-UHFFFAOYSA-N -2 3 387.791 3.606 20 0 GHADHL CCOc1cccc(S(=O)(=O)[N-]c2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c1 ZINC000443407313 858631555 /nfs/dbraw/zinc/63/15/55/858631555.db2.gz PMHFMQVYGBSWHN-UHFFFAOYSA-N -2 3 399.472 3.611 20 0 GHADHL Cc1nn(-c2ccc(F)cc2)c(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443444825 858677756 /nfs/dbraw/zinc/67/77/56/858677756.db2.gz PNFFOMOZTIFJLQ-NTMALXAHSA-N -2 3 396.422 3.620 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1Cc1ccccc1 ZINC000013239875 860281559 /nfs/dbraw/zinc/28/15/59/860281559.db2.gz XBDZELVCRZEDOV-UHFFFAOYSA-N -2 3 397.452 3.785 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)ccc1F ZINC000120317699 881530436 /nfs/dbraw/zinc/53/04/36/881530436.db2.gz URRPQRHRYNTEBM-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c(C)c1 ZINC000157130890 861066358 /nfs/dbraw/zinc/06/63/58/861066358.db2.gz VCZGTIDGBKGUSN-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc(C(=O)[O-])c1C ZINC000164727786 864631018 /nfs/dbraw/zinc/63/10/18/864631018.db2.gz LWLFNUAGFAVPAU-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)cc1C ZINC000766585006 871190444 /nfs/dbraw/zinc/19/04/44/871190444.db2.gz NQCLJHCPFIQZCQ-UHFFFAOYSA-N -2 3 383.853 3.773 20 0 GHADHL O=C(Nc1nc(Br)ccc1[O-])c1ccc([O-])cc1C(F)(F)F ZINC001193732898 871250921 /nfs/dbraw/zinc/25/09/21/871250921.db2.gz CHQJQCUKBHBJCE-UHFFFAOYSA-N -2 3 377.116 3.526 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1OC(C)C ZINC000447263063 871280727 /nfs/dbraw/zinc/28/07/27/871280727.db2.gz HPIFVQYAEKNEJH-UHFFFAOYSA-N -2 3 377.462 3.898 20 0 GHADHL O=P([O-])([O-])CCCCNC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC001197062027 873571440 /nfs/dbraw/zinc/57/14/40/873571440.db2.gz YWRXRUSRGHQBJP-UHFFFAOYSA-N -2 3 380.406 3.723 20 0 GHADHL COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2[S-])c1 ZINC001197106278 873603216 /nfs/dbraw/zinc/60/32/16/873603216.db2.gz HLZQWHJFBMCDFG-VMPITWQZSA-N -2 3 383.878 3.616 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)c(C)c1C(=O)[O-] ZINC000530145241 877164277 /nfs/dbraw/zinc/16/42/77/877164277.db2.gz PRYFTYIXFQTWMI-UHFFFAOYSA-N -2 3 389.473 3.696 20 0 GHADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000321918159 884250219 /nfs/dbraw/zinc/25/02/19/884250219.db2.gz SXUQXEQRFMVSAD-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000556703312 885949166 /nfs/dbraw/zinc/94/91/66/885949166.db2.gz VPCSKAQRLRSIEH-ZWNOBZJWSA-N -2 3 397.390 3.546 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c(C)c1C ZINC000808116276 886028478 /nfs/dbraw/zinc/02/84/78/886028478.db2.gz NMTWSGLQUHIKEP-UHFFFAOYSA-N -2 3 381.425 3.567 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000863427737 887098463 /nfs/dbraw/zinc/09/84/63/887098463.db2.gz BOQBRYDHNSXEFR-UHFFFAOYSA-N -2 3 377.462 3.602 20 0 GHADHL O=C([O-])C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001184735326 913403018 /nfs/dbraw/zinc/40/30/18/913403018.db2.gz APCZGQFULCUKCJ-AWEZNQCLSA-N -2 3 392.433 3.715 20 0 GHADHL O=C(CSc1nnc([N-]c2ccccc2F)s1)[N-]OCc1ccccc1 ZINC000039618817 894506496 /nfs/dbraw/zinc/50/64/96/894506496.db2.gz LHFAZEWKRMUIDE-UHFFFAOYSA-N -2 3 390.465 3.761 20 0 GHADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])c1ccc(F)cc1 ZINC000629288837 906676948 /nfs/dbraw/zinc/67/69/48/906676948.db2.gz FLHNVJLCANNZGU-OAHLLOKOSA-N -2 3 393.358 3.680 20 0 GHADHL O=C(Nc1ncc([O-])cc1Br)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572316 916027676 /nfs/dbraw/zinc/02/76/76/916027676.db2.gz NIRHBGBKICKOBV-UHFFFAOYSA-N -2 3 377.116 3.526 20 0 GHADHL O=S(=O)(Cc1cccc(Br)c1)[N-]c1ccc(Cl)cc1[O-] ZINC001188680682 916104847 /nfs/dbraw/zinc/10/48/47/916104847.db2.gz BVKOAZNLKNCCDF-UHFFFAOYSA-N -2 3 376.659 3.750 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Br)c1ccc(F)c2ccccc21 ZINC001189354146 916591809 /nfs/dbraw/zinc/59/18/09/916591809.db2.gz CZCDEQVVGOCPJW-UHFFFAOYSA-N -2 3 397.225 3.643 20 0 GHADHL Cc1cccc2cc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)sc21 ZINC000650419680 916973168 /nfs/dbraw/zinc/97/31/68/916973168.db2.gz GLTHBDPGHQIGEZ-NSHDSACASA-N -2 3 395.424 3.531 20 0 GHADHL CCc1oc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1C(=O)[O-] ZINC000375027326 927823425 /nfs/dbraw/zinc/82/34/25/927823425.db2.gz MSSOWBWMPJWXQF-UHFFFAOYSA-N -2 3 381.388 3.518 20 0 GHADHL O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001594786101 953672241 /nfs/dbraw/zinc/67/22/41/953672241.db2.gz UOTXNMVCIRZJOM-IBGZPJMESA-N -2 3 377.396 3.610 20 0 GHADHL C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001592478176 978249694 /nfs/dbraw/zinc/24/96/94/978249694.db2.gz TZMJOFSVJNUVCU-SSDOTTSWSA-N -2 3 391.770 3.577 20 0 GHADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2Cl)c1 ZINC001589283924 986016982 /nfs/dbraw/zinc/01/69/82/986016982.db2.gz OJLDXJLIOXFDSO-UHFFFAOYSA-N -2 3 388.228 3.695 20 0 GHADHL C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c1 ZINC001589531442 987203094 /nfs/dbraw/zinc/20/30/94/987203094.db2.gz GKUGUGPIDQHMKE-AWEZNQCLSA-N -2 3 392.411 3.812 20 0 GHADHL COc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])c1 ZINC001599598110 993775897 /nfs/dbraw/zinc/77/58/97/993775897.db2.gz JKJLLIPTGUZNHB-UHFFFAOYSA-N -2 3 381.837 3.873 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)c(C)c2)cc1C(=O)[O-] ZINC000322877973 1032298461 /nfs/dbraw/zinc/29/84/61/1032298461.db2.gz IXLHEMZVTXXZSF-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL COc1cc(F)cc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1 ZINC001215470769 1029225199 /nfs/dbraw/zinc/22/51/99/1029225199.db2.gz DBJCQNWFTFQZAY-UHFFFAOYSA-N -2 3 381.157 3.725 20 0 GHADHL COCc1cccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1 ZINC001215471304 1029227783 /nfs/dbraw/zinc/22/77/83/1029227783.db2.gz VVZGYRDTCCIHNR-UHFFFAOYSA-N -2 3 377.194 3.724 20 0 GHADHL C[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1)c1ncccn1 ZINC001225625384 1031515867 /nfs/dbraw/zinc/51/58/67/1031515867.db2.gz KDTATYHBNUEEES-LLVKDONJSA-N -2 3 392.367 3.507 20 0 GHADHL CC1(C)C[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)CCO1 ZINC001225627668 1031518151 /nfs/dbraw/zinc/51/81/51/1031518151.db2.gz FELVVNLWWBIXGL-OAHLLOKOSA-N -2 3 398.411 3.913 20 0 GHADHL CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001157893944 1033814589 /nfs/dbraw/zinc/81/45/89/1033814589.db2.gz UPGDVNXFSJELJC-UHFFFAOYSA-N -2 3 386.832 3.589 20 0 GHADHL O=S(=O)([N-]c1nc2ccccc2nc1-c1cc([O-])cc(F)c1)c1ccccc1 ZINC001241262747 1035546836 /nfs/dbraw/zinc/54/68/36/1035546836.db2.gz SCPCYBLLFIZNCU-UHFFFAOYSA-N -2 3 395.415 3.942 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1ccccc1Br ZINC001257378680 1043975323 /nfs/dbraw/zinc/97/53/23/1043975323.db2.gz RCBBFNKBERTHDA-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)c(F)cc1Cl ZINC001259223764 1045020016 /nfs/dbraw/zinc/02/00/16/1045020016.db2.gz IZSBDGKSVMNJSQ-KRWDZBQOSA-N -2 3 397.855 3.997 20 0 GHADHL CC(C)CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CCC(F)(F)CC1 ZINC001260219235 1045418846 /nfs/dbraw/zinc/41/88/46/1045418846.db2.gz FQDXVDWOVYOCAX-UHFFFAOYSA-N -2 3 393.427 3.796 20 0 GHADHL O=S(=O)([N-]c1cncc([O-])c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001260273240 1045437078 /nfs/dbraw/zinc/43/70/78/1045437078.db2.gz CRJAWHJOAAFGPI-UHFFFAOYSA-N -2 3 386.273 3.626 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cc2snnc21 ZINC001260876420 1045732765 /nfs/dbraw/zinc/73/27/65/1045732765.db2.gz ADSVMFMBQLSLQQ-UHFFFAOYSA-N -2 3 390.273 3.813 20 0 GHADHL Cc1cc2nsnc2cc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260877249 1045734885 /nfs/dbraw/zinc/73/48/85/1045734885.db2.gz SVWWTJBBJVOCNK-UHFFFAOYSA-N -2 3 390.273 3.813 20 0 GHADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c(Cl)c2)c1 ZINC000740235971 600106160 /nfs/dbraw/zinc/10/61/60/600106160.db2.gz WYUHBVLBDKEQHK-UHFFFAOYSA-N -2 3 394.880 3.829 20 0 GHADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000481942500 600625747 /nfs/dbraw/zinc/62/57/47/600625747.db2.gz CVEQHNMWDLSHAZ-UHFFFAOYSA-N -2 3 397.452 3.694 20 0 GHADHL CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(NC(=O)[O-])cc3)nc2)n1 ZINC000737250671 603572785 /nfs/dbraw/zinc/57/27/85/603572785.db2.gz LEKQBRGIQSEMNS-UHFFFAOYSA-N -2 3 379.420 3.551 20 0 GHADHL O=C([O-])c1ccc(COc2ccc(/C=C3/C(=O)[N-]C(=O)c4ccccc43)cc2)cc1 ZINC000833361209 604676683 /nfs/dbraw/zinc/67/66/83/604676683.db2.gz QVWSTQFJGWEVMV-FYJGNVAPSA-N -2 3 399.402 3.774 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc(C(=O)[O-])c1C ZINC000471110261 834535485 /nfs/dbraw/zinc/53/54/85/834535485.db2.gz OAMMWGOMNCUDGT-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1C(F)(F)F ZINC000500371001 840282226 /nfs/dbraw/zinc/28/22/26/840282226.db2.gz CMHOJTGLTXJNAJ-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000581660251 841927228 /nfs/dbraw/zinc/92/72/28/841927228.db2.gz IMZKGLIXKAFSGS-PWSUYJOCSA-N -2 3 399.818 3.671 20 0 GHADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000548220572 842205176 /nfs/dbraw/zinc/20/51/76/842205176.db2.gz HEKLNWISXHVLKV-VIFPVBQESA-N -2 3 387.807 3.671 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(F)c2)c1Cl ZINC000548238753 842245902 /nfs/dbraw/zinc/24/59/02/842245902.db2.gz NWPBGHTZUDWFLJ-CYBMUJFWSA-N -2 3 392.235 3.545 20 0 GHADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000548264537 842335610 /nfs/dbraw/zinc/33/56/10/842335610.db2.gz SMDQDKMWSARKQR-GFCCVEGCSA-N -2 3 388.272 3.530 20 0 GHADHL CCc1ccc([C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])cc1 ZINC000548537674 845412313 /nfs/dbraw/zinc/41/23/13/845412313.db2.gz HIXZUTDAQJTDKC-GFCCVEGCSA-N -2 3 394.301 3.722 20 0 GHADHL O=C(Nc1ccc(F)cc1[O-])c1ccc(C(=O)Nc2ccc(F)cc2[O-])s1 ZINC000486802909 850125201 /nfs/dbraw/zinc/12/52/01/850125201.db2.gz XSVZTJZZKCHPHT-UHFFFAOYSA-N -2 3 390.367 3.942 20 0 GHADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCCC(C)C ZINC000504723200 850272143 /nfs/dbraw/zinc/27/21/43/850272143.db2.gz ZFSBMPWSVJSDHF-VURMDHGXSA-N -2 3 386.448 3.722 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000436477415 851966542 /nfs/dbraw/zinc/96/65/42/851966542.db2.gz LQLTXIGSGMYYHT-UHFFFAOYSA-N -2 3 383.425 3.647 20 0 GHADHL O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1[O-] ZINC000436719464 852244773 /nfs/dbraw/zinc/24/47/73/852244773.db2.gz ABVDTVNSBWUDML-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL CCOc1cc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)cc(Cl)c1[O-] ZINC000445423269 855952243 /nfs/dbraw/zinc/95/22/43/855952243.db2.gz VRSPEYJKMNFVNI-UHFFFAOYSA-N -2 3 376.752 3.596 20 0 GHADHL Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507970030 856750475 /nfs/dbraw/zinc/75/04/75/856750475.db2.gz NKWICUXPMQEWPT-UHFFFAOYSA-N -2 3 382.441 3.864 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)O[C@](C)(CC)O3)cc1C(=O)[O-] ZINC000442831404 858170687 /nfs/dbraw/zinc/17/06/87/858170687.db2.gz AALCLKHPLPFTNM-LJQANCHMSA-N -2 3 391.445 3.645 20 0 GHADHL Cc1nn(Cc2ccccc2)c(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443447567 858690523 /nfs/dbraw/zinc/69/05/23/858690523.db2.gz PJDYXKBWDNRJGQ-LUAWRHEFSA-N -2 3 392.459 3.540 20 0 GHADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000669623339 859732843 /nfs/dbraw/zinc/73/28/43/859732843.db2.gz UPYVQARCYCMHBK-CYBMUJFWSA-N -2 3 385.457 3.830 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)cc1C ZINC000157131066 861086105 /nfs/dbraw/zinc/08/61/05/861086105.db2.gz KIQRNBHKJGOCTF-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(Cl)c1 ZINC000327456017 864774270 /nfs/dbraw/zinc/77/42/70/864774270.db2.gz CTRNGZMQNAMSAL-UHFFFAOYSA-N -2 3 395.742 3.738 20 0 GHADHL Cc1cccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1C ZINC000523185857 866830606 /nfs/dbraw/zinc/83/06/06/866830606.db2.gz BVJBYNFTIYYPNO-UHFFFAOYSA-N -2 3 377.462 3.656 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1cc(F)cc(Br)c1 ZINC001193792526 871286237 /nfs/dbraw/zinc/28/62/37/871286237.db2.gz HUVZTXFYDKDXFW-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2nc3c(cccc3[O-])s2)c(C)c1C ZINC001194836450 871980056 /nfs/dbraw/zinc/98/00/56/871980056.db2.gz ZZVRFVCOFJHWSE-UHFFFAOYSA-N -2 3 378.475 3.737 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2SC(F)(F)F)c1 ZINC000775672134 872665609 /nfs/dbraw/zinc/66/56/09/872665609.db2.gz GVKURVLJHSMJAT-UHFFFAOYSA-N -2 3 379.381 3.814 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc(Cl)c1F ZINC000767738579 872799416 /nfs/dbraw/zinc/79/94/16/872799416.db2.gz YGOAIFBSKBILKQ-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL CCOCc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1 ZINC000542008072 874757513 /nfs/dbraw/zinc/75/75/13/874757513.db2.gz JCZHPBIRFYJZBQ-UHFFFAOYSA-N -2 3 391.489 3.576 20 0 GHADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000551999015 878135304 /nfs/dbraw/zinc/13/53/04/878135304.db2.gz BNRDVOCAZDXFMX-QMMMGPOBSA-N -2 3 387.807 3.527 20 0 GHADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1C(=O)[O-] ZINC000790389163 879659101 /nfs/dbraw/zinc/65/91/01/879659101.db2.gz JREYSGNHRLXVHE-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000556703309 885949296 /nfs/dbraw/zinc/94/92/96/885949296.db2.gz VPCSKAQRLRSIEH-GWCFXTLKSA-N -2 3 397.390 3.546 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)cc1C(=O)[O-] ZINC000322558164 887562380 /nfs/dbraw/zinc/56/23/80/887562380.db2.gz CJWJMVWVLRBMPX-UHFFFAOYSA-N -2 3 398.278 3.819 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2F)cc1C(=O)[O-] ZINC001184699613 913367476 /nfs/dbraw/zinc/36/74/76/913367476.db2.gz VWPJCIPQCICEGF-UHFFFAOYSA-N -2 3 395.305 3.791 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1F ZINC001185909510 914170022 /nfs/dbraw/zinc/17/00/22/914170022.db2.gz YNBPUXUNZNGNMM-UHFFFAOYSA-N -2 3 393.314 3.532 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c(Cl)c1 ZINC000574673690 900962636 /nfs/dbraw/zinc/96/26/36/900962636.db2.gz ISTLPSDXEFMKMP-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2Cl)c1 ZINC001187581004 915374739 /nfs/dbraw/zinc/37/47/39/915374739.db2.gz DVZIKOIEJNUQIU-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001187999120 915675725 /nfs/dbraw/zinc/67/57/25/915675725.db2.gz YBQAPRAFGZQBSU-UHFFFAOYSA-N -2 3 389.260 3.713 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2F)ccc1Cl ZINC001188309054 915906688 /nfs/dbraw/zinc/90/66/88/915906688.db2.gz VLRHZKBXVXNUBT-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1ccc(Br)c(Cl)c1 ZINC001189164133 916409802 /nfs/dbraw/zinc/40/98/02/916409802.db2.gz KVFFEDSMCFJGSB-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190632717 917465017 /nfs/dbraw/zinc/46/50/17/917465017.db2.gz NOCJHZHOFZUKLF-UHFFFAOYSA-N -2 3 377.187 3.509 20 0 GHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000544630799 929365875 /nfs/dbraw/zinc/36/58/75/929365875.db2.gz MHGNHQCVVSSVFS-AWEZNQCLSA-N -2 3 377.462 3.539 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])c1Cl ZINC000547577845 931127790 /nfs/dbraw/zinc/12/77/90/931127790.db2.gz QUKUDONGSJXXNZ-XHDPSFHLSA-N -2 3 380.293 3.614 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)ccc1F ZINC000799127600 932883974 /nfs/dbraw/zinc/88/39/74/932883974.db2.gz VZEBIQHTCRVXMT-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CCCCCC1 ZINC000325210418 971193639 /nfs/dbraw/zinc/19/36/39/971193639.db2.gz KWTVTWJTEQHAAC-SNVBAGLBSA-N -2 3 377.865 3.815 20 0 GHADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000326223282 971275072 /nfs/dbraw/zinc/27/50/72/971275072.db2.gz HOKIRTFMCCIXPD-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000392416604 972483557 /nfs/dbraw/zinc/48/35/57/972483557.db2.gz YTTIZHYTJQQMCN-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)[nH]c3c2)c1C(=O)[O-] ZINC000832972843 979063550 /nfs/dbraw/zinc/06/35/50/979063550.db2.gz OARNAZXKOPNAGW-UHFFFAOYSA-N -2 3 387.461 3.668 20 0 GHADHL C[C@](Cc1ccc(F)cc1)([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(=O)[O-] ZINC001592839963 979602067 /nfs/dbraw/zinc/60/20/67/979602067.db2.gz SMLTYVVSYRUWJP-QGZVFWFLSA-N -2 3 385.769 3.773 20 0 GHADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC001594952980 982676078 /nfs/dbraw/zinc/67/60/78/982676078.db2.gz PGDUETGBOULWFD-GZMMTYOYSA-N -2 3 387.807 3.527 20 0 GHADHL CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001589696610 987775831 /nfs/dbraw/zinc/77/58/31/987775831.db2.gz IBSPNMBUYHSVQQ-UHFFFAOYSA-N -2 3 397.399 3.693 20 0 GHADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)s1 ZINC001590319580 989756566 /nfs/dbraw/zinc/75/65/66/989756566.db2.gz JSFJMWLGIABPJR-UHFFFAOYSA-N -2 3 395.412 3.509 20 0 GHADHL CC(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C ZINC001591223147 992095430 /nfs/dbraw/zinc/09/54/30/992095430.db2.gz XSNLYAUPVKNLDU-CYBMUJFWSA-N -2 3 377.453 3.792 20 0 GHADHL O=c1nc2nc(Br)[n-]c2c(O[C@H](c2ccccc2)C(F)(F)F)[n-]1 ZINC001227593673 1032477770 /nfs/dbraw/zinc/47/77/70/1032477770.db2.gz GHSSPOSLAXBVPA-MRVPVSSYSA-N -2 3 389.131 3.503 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)o1 ZINC000569932089 1019539232 /nfs/dbraw/zinc/53/92/32/1019539232.db2.gz VUWZLDXLZFHKDC-ZDUSSCGKSA-N -2 3 392.260 3.779 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC[C@H]2CCCCO2)cc1 ZINC001229672266 1033631547 /nfs/dbraw/zinc/63/15/47/1033631547.db2.gz QFYMDJYDLSBSAX-MRXNPFEDSA-N -2 3 398.411 3.828 20 0 GHADHL O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1c([O-])cnc2c(Br)cccc21 ZINC001159063792 1034407646 /nfs/dbraw/zinc/40/76/46/1034407646.db2.gz VYXXOYYFJABUEZ-UHFFFAOYSA-N -2 3 399.204 3.537 20 0 GHADHL O=C(Nc1ncccc1[O-])c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001160409417 1034966087 /nfs/dbraw/zinc/96/60/87/1034966087.db2.gz HKUAOUWRBLGEAO-UHFFFAOYSA-N -2 3 399.621 3.891 20 0 GHADHL O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cc(Br)ccc1[O-] ZINC001259240387 1045036603 /nfs/dbraw/zinc/03/66/03/1045036603.db2.gz JBOYMRLZPQDNBH-UHFFFAOYSA-N -2 3 376.659 3.750 20 0 GHADHL COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC001260228242 1045420118 /nfs/dbraw/zinc/42/01/18/1045420118.db2.gz OAGAADJJCCSSBZ-UHFFFAOYSA-N -2 3 399.424 3.987 20 0 GHADHL COc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)c2)cc1 ZINC001260398835 1045487309 /nfs/dbraw/zinc/48/73/09/1045487309.db2.gz BUMOFASOYGADBV-UHFFFAOYSA-N -2 3 399.424 3.567 20 0 GHADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)c([O-])c1 ZINC001260697152 1045614078 /nfs/dbraw/zinc/61/40/78/1045614078.db2.gz RVAVIWVUIGDYNV-UHFFFAOYSA-N -2 3 397.880 3.943 20 0 GHADHL CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001260876126 1045733074 /nfs/dbraw/zinc/73/30/74/1045733074.db2.gz RGVYMVNDEGBRSK-UHFFFAOYSA-N -2 3 390.244 3.677 20 0 GHADHL COCc1ccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cc1F ZINC001260877417 1045734420 /nfs/dbraw/zinc/73/44/20/1045734420.db2.gz WFJBJBMIOSJRLG-UHFFFAOYSA-N -2 3 380.224 3.785 20 0 GHADHL O=C(Nc1cccc([O-])c1Br)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001298219481 1045737290 /nfs/dbraw/zinc/73/72/90/1045737290.db2.gz FQXUAHLOYHUEIO-UHFFFAOYSA-N -2 3 395.159 3.527 20 0 GHADHL O=C(Nc1cccc([O-])c1Br)c1c([O-])cnc2c(F)cccc21 ZINC001298219956 1045737412 /nfs/dbraw/zinc/73/74/12/1045737412.db2.gz NVNOCMBTRGGZCG-UHFFFAOYSA-N -2 3 377.169 3.800 20 0 GHADHL O=C([O-])c1cccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)c4ccccc43)c2)c1 ZINC001326917802 1057573127 /nfs/dbraw/zinc/57/31/27/1057573127.db2.gz YMSGWTFCCQEXRL-FYJGNVAPSA-N -2 3 399.402 3.774 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(Cl)cc2)o1 ZINC000740174219 599772667 /nfs/dbraw/zinc/77/26/67/599772667.db2.gz WGFLHFVGANQCSF-OAHLLOKOSA-N -2 3 397.861 3.761 20 0 GHADHL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000319624820 600886313 /nfs/dbraw/zinc/88/63/13/600886313.db2.gz NICBAQFURPHBFL-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833027193 601215375 /nfs/dbraw/zinc/21/53/75/601215375.db2.gz FEWSVQFQNDNVQZ-MRXNPFEDSA-N -2 3 395.433 3.555 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c(OC(F)F)c1 ZINC000833320725 601331787 /nfs/dbraw/zinc/33/17/87/601331787.db2.gz CGYSVRZTZIOOKX-FPLPWBNLSA-N -2 3 387.335 3.538 20 0 GHADHL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000740713240 602645948 /nfs/dbraw/zinc/64/59/48/602645948.db2.gz QZNHMVWPEWUOOY-UHFFFAOYSA-N -2 3 392.767 3.832 20 0 GHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000833506526 605006106 /nfs/dbraw/zinc/00/61/06/605006106.db2.gz GISCXVTXZBSWDU-UHFFFAOYSA-N -2 3 393.461 3.518 20 0 GHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)cc1 ZINC000833506691 605007625 /nfs/dbraw/zinc/00/76/25/605007625.db2.gz MBLYPPAKIMEIOD-UHFFFAOYSA-N -2 3 395.502 3.841 20 0 GHADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1sccc1-c1nnn[n-]1 ZINC000826450219 608214498 /nfs/dbraw/zinc/21/44/98/608214498.db2.gz BODBWHRDOGDWEV-UHFFFAOYSA-N -2 3 390.639 3.846 20 0 GHADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1sccc1-c1nn[n-]n1 ZINC000826450219 608214499 /nfs/dbraw/zinc/21/44/99/608214499.db2.gz BODBWHRDOGDWEV-UHFFFAOYSA-N -2 3 390.639 3.846 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000547937695 837717476 /nfs/dbraw/zinc/71/74/76/837717476.db2.gz CUBGJSXTNXIZGO-MNOVXSKESA-N -2 3 387.885 3.952 20 0 GHADHL CC(C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000584442423 834624078 /nfs/dbraw/zinc/62/40/78/834624078.db2.gz MIPAPYXPWHEHKV-OHFYBLQUSA-N -2 3 376.359 3.836 20 0 GHADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000547869327 837312058 /nfs/dbraw/zinc/31/20/58/837312058.db2.gz ILHFLTQXMUKQBZ-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1)C1CCCC1 ZINC000656622972 841590622 /nfs/dbraw/zinc/59/06/22/841590622.db2.gz BCUQNRCGKHEYSV-CYBMUJFWSA-N -2 3 396.292 3.639 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1Cl ZINC000432726512 843606941 /nfs/dbraw/zinc/60/69/41/843606941.db2.gz FCSHASHDVWIUGB-UHFFFAOYSA-N -2 3 397.880 3.865 20 0 GHADHL CN(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1 ZINC000432780921 843808298 /nfs/dbraw/zinc/80/82/98/843808298.db2.gz LUPDZSRZVFIIGM-UHFFFAOYSA-N -2 3 389.260 3.558 20 0 GHADHL O=P([O-])([O-])C1(Nc2ccnc3[nH]cc(C(F)(F)F)c32)Cc2ccccc2C1 ZINC001167935875 844751894 /nfs/dbraw/zinc/75/18/94/844751894.db2.gz DZVVCTPOXPCMDD-UHFFFAOYSA-N -2 3 397.293 3.666 20 0 GHADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Br)cc(Cl)c2[O-])c1 ZINC000536459678 845921990 /nfs/dbraw/zinc/92/19/90/845921990.db2.gz LRUZLPHIHONTGQ-UHFFFAOYSA-N -2 3 399.628 3.724 20 0 GHADHL Cc1ccc(-c2cc(C(=O)N=c3[n-]nc(C(C)(C)c4ccccc4)s3)n[n-]2)o1 ZINC000519327474 850921323 /nfs/dbraw/zinc/92/13/23/850921323.db2.gz CSXYDNKCUWRESF-UHFFFAOYSA-N -2 3 393.472 3.830 20 0 GHADHL [O-]c1ccccc1-c1nc(CSc2n[n-]c(=Nc3ccccc3)s2)no1 ZINC000436776267 852311254 /nfs/dbraw/zinc/31/12/54/852311254.db2.gz IJBGOHSNPGIRMV-UHFFFAOYSA-N -2 3 383.458 3.752 20 0 GHADHL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000489477306 852381593 /nfs/dbraw/zinc/38/15/93/852381593.db2.gz GDMUSURZHHKSOT-UHFFFAOYSA-N -2 3 396.415 3.723 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1C(=O)[O-] ZINC000427334723 852992010 /nfs/dbraw/zinc/99/20/10/852992010.db2.gz BQIAYOUEBYEDQR-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)cc(Cl)c1Cl ZINC000058494581 856903051 /nfs/dbraw/zinc/90/30/51/856903051.db2.gz ZMMHSBAIZOVNDY-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL COc1ccc(-c2nc(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)cs2)cc1 ZINC000669644648 860108706 /nfs/dbraw/zinc/10/87/06/860108706.db2.gz SBDJZBHYLRWLTK-WEVVVXLNSA-N -2 3 397.456 3.810 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C)c1 ZINC000484920403 860497349 /nfs/dbraw/zinc/49/73/49/860497349.db2.gz NBUOOTLQPSHLJY-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000185608364 861072605 /nfs/dbraw/zinc/07/26/05/861072605.db2.gz DJXPNEMDTRMABE-UHFFFAOYSA-N -2 3 392.658 3.618 20 0 GHADHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000327576962 864777789 /nfs/dbraw/zinc/77/77/89/864777789.db2.gz WRGRUBDXBBBQKF-UHFFFAOYSA-N -2 3 376.821 3.696 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c(C)c1 ZINC000479270781 867496270 /nfs/dbraw/zinc/49/62/70/867496270.db2.gz VWVUQKSSPJTGRB-UHFFFAOYSA-N -2 3 383.853 3.855 20 0 GHADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3c(F)ccc(C)c3C(=O)[O-])cc2)co1 ZINC000534883112 867697995 /nfs/dbraw/zinc/69/79/95/867697995.db2.gz ZGZXOOZSFRKJGE-UHFFFAOYSA-N -2 3 390.392 3.597 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c(C)c1C ZINC000793441845 882187079 /nfs/dbraw/zinc/18/70/79/882187079.db2.gz DHDONMCHBWYRST-UHFFFAOYSA-N -2 3 381.425 3.567 20 0 GHADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1C ZINC000535399526 868692386 /nfs/dbraw/zinc/69/23/86/868692386.db2.gz UFPJTLSTOPAGOQ-UHFFFAOYSA-N -2 3 377.462 3.520 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1OC(C)C ZINC000525020800 869899375 /nfs/dbraw/zinc/89/93/75/869899375.db2.gz NESDGCPEBICNCV-UHFFFAOYSA-N -2 3 377.462 3.600 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1C(=O)[O-] ZINC000525534259 870875675 /nfs/dbraw/zinc/87/56/75/870875675.db2.gz SQYKLWSJVYRTGN-UHFFFAOYSA-N -2 3 393.461 3.680 20 0 GHADHL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1)C(=O)[O-] ZINC000463780885 872585891 /nfs/dbraw/zinc/58/58/91/872585891.db2.gz ZHTSZXORBPJNIT-MRXNPFEDSA-N -2 3 391.489 3.766 20 0 GHADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000551998027 878132520 /nfs/dbraw/zinc/13/25/20/878132520.db2.gz LRZOWEUULVUYGG-GXTWGEPZSA-N -2 3 399.818 3.671 20 0 GHADHL O=S(=O)(CCc1ccccc1Br)[N-]c1ccc(Cl)cc1[O-] ZINC000461345188 879612512 /nfs/dbraw/zinc/61/25/12/879612512.db2.gz ZQASWIYKDDMABU-UHFFFAOYSA-N -2 3 390.686 3.793 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1C(=O)[O-] ZINC000461346655 879613761 /nfs/dbraw/zinc/61/37/61/879613761.db2.gz KLDLEMZPDFFDMM-UHFFFAOYSA-N -2 3 375.446 3.852 20 0 GHADHL CC(C)(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185609311 913988660 /nfs/dbraw/zinc/98/86/60/913988660.db2.gz HUBZNXVXEDJHAX-UHFFFAOYSA-N -2 3 389.506 3.558 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c(C)c1C(=O)[O-] ZINC000156302992 899668741 /nfs/dbraw/zinc/66/87/41/899668741.db2.gz GGASBLHCFGQUCH-UHFFFAOYSA-N -2 3 392.452 3.542 20 0 GHADHL CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805044 904215698 /nfs/dbraw/zinc/21/56/98/904215698.db2.gz CXWNPIDFZUHKOT-UHFFFAOYSA-N -2 3 396.186 3.664 20 0 GHADHL CCOC(=O)c1nc([C@H](C)[N-]c2nc(-c3cc(Cl)cc(Cl)c3)no2)n[n-]1 ZINC001186990133 914960906 /nfs/dbraw/zinc/96/09/06/914960906.db2.gz RKAMKVQMYBUKFQ-ZETCQYMHSA-N -2 3 397.222 3.511 20 0 GHADHL O=C(Nc1nc(Br)ccc1[O-])c1ccc([O-])c(C(F)(F)F)c1 ZINC001188564396 916032994 /nfs/dbraw/zinc/03/29/94/916032994.db2.gz VBSQPLDGZWKHAS-UHFFFAOYSA-N -2 3 377.116 3.526 20 0 GHADHL COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001191652487 918117028 /nfs/dbraw/zinc/11/70/28/918117028.db2.gz PYVBXVGDHQWZGN-UHFFFAOYSA-N -2 3 378.475 3.935 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cccc(C(=O)[O-])c1 ZINC000558379143 931968412 /nfs/dbraw/zinc/96/84/12/931968412.db2.gz JHMLTLSXHKRUTE-UHFFFAOYSA-N -2 3 379.821 3.571 20 0 GHADHL Cc1nc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c(-c2ccccc2)s1 ZINC001574423780 961355073 /nfs/dbraw/zinc/35/50/73/961355073.db2.gz GVVCLBCIMHMABR-CQSZACIVSA-N -2 3 396.534 3.676 20 0 GHADHL C[C@@](Cc1ccc(F)cc1)([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(=O)[O-] ZINC001592839960 979602341 /nfs/dbraw/zinc/60/23/41/979602341.db2.gz SMLTYVVSYRUWJP-KRWDZBQOSA-N -2 3 385.769 3.773 20 0 GHADHL CCC1CCC(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)(C(=O)[O-])CC1 ZINC001595425653 981045714 /nfs/dbraw/zinc/04/57/14/981045714.db2.gz UBRURGXVKXJKRK-UHFFFAOYSA-N -2 3 397.497 3.644 20 0 GHADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC001594952982 982676111 /nfs/dbraw/zinc/67/61/11/982676111.db2.gz PGDUETGBOULWFD-KCJUWKMLSA-N -2 3 387.807 3.527 20 0 GHADHL CCc1ccc(C(=O)N2Cc3sc(C(=O)[O-])c(Br)c3C2)c([O-])c1 ZINC001597500044 988052980 /nfs/dbraw/zinc/05/29/80/988052980.db2.gz DIKCBZGJKDRQMQ-UHFFFAOYSA-N -2 3 396.262 3.633 20 0 GHADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CCC(F)(F)CC1 ZINC001593331178 994899531 /nfs/dbraw/zinc/89/95/31/994899531.db2.gz SOERDUPLAOMUBI-QMMMGPOBSA-N -2 3 399.818 3.670 20 0 GHADHL C[C@@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001594363879 999374272 /nfs/dbraw/zinc/37/42/72/999374272.db2.gz NLIQYIAPUZDJHE-GHMZBOCLSA-N -2 3 377.865 3.672 20 0 GHADHL CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1c(C)cccc1[O-] ZINC000629987455 1020788292 /nfs/dbraw/zinc/78/82/92/1020788292.db2.gz LTGLDCIXFSLUKP-GOSISDBHSA-N -2 3 393.487 3.554 20 0 GHADHL COc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000755979348 1023462251 /nfs/dbraw/zinc/46/22/51/1023462251.db2.gz NHJAOKDBMZEFOS-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL COc1ccc2c(=O)cc(C(=O)Nc3cccc(C(F)(F)F)c3[O-])[n-]c2c1 ZINC001154117467 1031937684 /nfs/dbraw/zinc/93/76/84/1031937684.db2.gz CJTOXXJOMJEQTA-UHFFFAOYSA-N -2 3 378.306 3.513 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OCCOC(C)C)cc1 ZINC001229673106 1033634289 /nfs/dbraw/zinc/63/42/89/1033634289.db2.gz ZLEHUNFPQGVDQY-UHFFFAOYSA-N -2 3 386.400 3.684 20 0 GHADHL C[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)C(=O)OC(C)(C)C ZINC001229773723 1033703815 /nfs/dbraw/zinc/70/38/15/1033703815.db2.gz MFFDWDYNYHRJMP-GFCCVEGCSA-N -2 3 398.411 3.980 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2csc3ccccc23)c(F)cc1Cl ZINC001259224422 1045020223 /nfs/dbraw/zinc/02/02/23/1045020223.db2.gz GCUXHZARBNUPHP-UHFFFAOYSA-N -2 3 399.852 3.871 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Br)c1ccc(Cl)c(Cl)c1 ZINC001260308786 1045453011 /nfs/dbraw/zinc/45/30/11/1045453011.db2.gz RLNSGLSIPSVGJK-UHFFFAOYSA-N -2 3 398.065 3.657 20 0 GHADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)n1 ZINC001260871024 1045726707 /nfs/dbraw/zinc/72/67/07/1045726707.db2.gz GKCLEIICPLSGND-UHFFFAOYSA-N -2 3 383.640 3.557 20 0 GHADHL CCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001260875553 1045731407 /nfs/dbraw/zinc/73/14/07/1045731407.db2.gz VTQUCBFLCRBOQC-UHFFFAOYSA-N -2 3 389.260 3.848 20 0 GHADHL CCOC(=O)c1ncc(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])[n-]1 ZINC001306883928 1048943515 /nfs/dbraw/zinc/94/35/15/1048943515.db2.gz LYJWASFZXDLPIT-UHFFFAOYSA-N -2 3 385.807 3.865 20 0 GHADHL CCOC(=O)c1nc(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])c[n-]1 ZINC001306883928 1048943521 /nfs/dbraw/zinc/94/35/21/1048943521.db2.gz LYJWASFZXDLPIT-UHFFFAOYSA-N -2 3 385.807 3.865 20 0 GHADHL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(SC)ccc1[O-] ZINC001328108841 1050397273 /nfs/dbraw/zinc/39/72/73/1050397273.db2.gz UQFLNKADAOMGPW-UHFFFAOYSA-N -2 3 389.502 3.877 20 0 GHADHL O=C([O-])C1CCN(c2ccc(CNCc3cc(Cl)cc(Cl)c3[O-])o2)CC1 ZINC000904241620 1050728698 /nfs/dbraw/zinc/72/86/98/1050728698.db2.gz XAZUNNKKMNNNHW-UHFFFAOYSA-N -2 3 399.274 3.883 20 0 GHADHL CCOCCOCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1C ZINC000451025535 450602525 /nfs/dbraw/zinc/60/25/25/450602525.db2.gz YWLMKOYMOZSLPX-UHFFFAOYSA-N -2 3 399.896 3.708 20 0 GHADHL CSCc1c2ccccc2oc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738194556 600537947 /nfs/dbraw/zinc/53/79/47/600537947.db2.gz DMPXBJWWHJOOMM-UHFFFAOYSA-N -2 3 391.474 3.807 20 0 GHADHL COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cc2)cc1 ZINC000607330802 600784262 /nfs/dbraw/zinc/78/42/62/600784262.db2.gz BFWDTFZYUODOOW-UHFFFAOYSA-N -2 3 399.424 3.987 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000737817085 601326276 /nfs/dbraw/zinc/32/62/76/601326276.db2.gz HFKUXSDGFNNGMD-UHFFFAOYSA-N -2 3 381.425 3.812 20 0 GHADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000740703686 602653462 /nfs/dbraw/zinc/65/34/62/602653462.db2.gz OXVRVDWYMAXVRQ-UHFFFAOYSA-N -2 3 378.303 3.735 20 0 GHADHL O=C([O-])Nc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000833290330 604324450 /nfs/dbraw/zinc/32/44/50/604324450.db2.gz RSKKOQWHPQKAAY-UHFFFAOYSA-N -2 3 380.198 3.566 20 0 GHADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)sc1C(=O)[O-] ZINC000414322729 837117398 /nfs/dbraw/zinc/11/73/98/837117398.db2.gz FZHMFALAQAZNSE-UWVGGRQHSA-N -2 3 385.429 3.544 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(Cl)c(Br)cc1F ZINC000471615450 840073191 /nfs/dbraw/zinc/07/31/91/840073191.db2.gz SWHDDUARXRCXQY-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000432079462 840637884 /nfs/dbraw/zinc/63/78/84/840637884.db2.gz RSFVPMMSYNLCNP-UHFFFAOYSA-N -2 3 388.228 3.695 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1C(=O)[O-] ZINC000048382641 841135649 /nfs/dbraw/zinc/13/56/49/841135649.db2.gz WSOJLDDCMXUPKR-UHFFFAOYSA-N -2 3 389.351 3.543 20 0 GHADHL CCCOc1c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cccc1OCC ZINC000279544423 843126567 /nfs/dbraw/zinc/12/65/67/843126567.db2.gz VWFMYOIQBOCPMN-PKNBQFBNSA-N -2 3 386.448 3.866 20 0 GHADHL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000512746445 845323374 /nfs/dbraw/zinc/32/33/74/845323374.db2.gz IDYSHPUCLYQMAG-UHFFFAOYSA-N -2 3 390.461 3.541 20 0 GHADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1cccs1 ZINC000548524490 845343223 /nfs/dbraw/zinc/34/32/23/845343223.db2.gz KACUGWQYHQREID-JTQLQIEISA-N -2 3 399.799 3.525 20 0 GHADHL [O-]c1ccc(F)c(CN=c2[n-]nc(SCc3ccc(F)cc3)s2)c1F ZINC000564503729 848757629 /nfs/dbraw/zinc/75/76/29/848757629.db2.gz FMAVZWLLKRISDI-UHFFFAOYSA-N -2 3 383.420 3.987 20 0 GHADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000436156056 851268161 /nfs/dbraw/zinc/26/81/61/851268161.db2.gz REKPPLUOOGMNOP-UHFFFAOYSA-N -2 3 399.852 3.635 20 0 GHADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000518666262 853625856 /nfs/dbraw/zinc/62/58/56/853625856.db2.gz YKCZWUJRJQNNAD-HNNXBMFYSA-N -2 3 386.452 3.559 20 0 GHADHL CCc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1CC ZINC000486093136 857543217 /nfs/dbraw/zinc/54/32/17/857543217.db2.gz JMGBCHBFIFTDAK-UHFFFAOYSA-N -2 3 397.880 3.729 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc(C)c1Cl ZINC000442224943 857617213 /nfs/dbraw/zinc/61/72/13/857617213.db2.gz SGPFPFQQTLQIDG-UHFFFAOYSA-N -2 3 383.853 3.529 20 0 GHADHL CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)cc2O1 ZINC000442837458 858175408 /nfs/dbraw/zinc/17/54/08/858175408.db2.gz QAMQNCXYIBIUDC-LJQANCHMSA-N -2 3 391.445 3.700 20 0 GHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1 ZINC000028260631 860589471 /nfs/dbraw/zinc/58/94/71/860589471.db2.gz COLHUGBKYVZMTC-UHFFFAOYSA-N -2 3 389.473 3.826 20 0 GHADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl)c1nc(C)cs1 ZINC000185007791 865112463 /nfs/dbraw/zinc/11/24/63/865112463.db2.gz JGVKOWNJRPJWLX-LLVKDONJSA-N -2 3 388.898 3.541 20 0 GHADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000479277269 867467269 /nfs/dbraw/zinc/46/72/69/867467269.db2.gz DDUCRCUHQKITTI-UHFFFAOYSA-N -2 3 391.779 3.749 20 0 GHADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cc1 ZINC000523587669 867588687 /nfs/dbraw/zinc/58/86/87/867588687.db2.gz ZQBQMHQKJUMIFV-UHFFFAOYSA-N -2 3 377.462 3.602 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)ccc1Oc1ccncc1 ZINC000447269475 871293443 /nfs/dbraw/zinc/29/34/43/871293443.db2.gz CCDRPZYBXLUQIR-UHFFFAOYSA-N -2 3 398.440 3.610 20 0 GHADHL O=C(Nc1c([O-])cc(Br)cc1Cl)c1c[n-]c2ccccc2c1=O ZINC000552207651 872257387 /nfs/dbraw/zinc/25/73/87/872257387.db2.gz YVIKDGKFUUHQMN-UHFFFAOYSA-N -2 3 393.624 3.902 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2ccccc2F)C2CCC2)c(F)cc1F ZINC001195257194 872284994 /nfs/dbraw/zinc/28/49/94/872284994.db2.gz BQXAMTJSKXLXDM-KRWDZBQOSA-N -2 3 399.390 3.622 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)c(F)cc1F ZINC001195269377 872295202 /nfs/dbraw/zinc/29/52/02/872295202.db2.gz YYEHMEURUMCPNY-KGLIPLIRSA-N -2 3 395.427 3.668 20 0 GHADHL CC1(c2nc(=NC(=O)c3cc4cc(Br)sc4[n-]3)s[n-]2)CC1 ZINC000529703732 876552334 /nfs/dbraw/zinc/55/23/34/876552334.db2.gz FXTYAYXZCMFAID-UHFFFAOYSA-N -2 3 383.296 3.569 20 0 GHADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000776553572 877997192 /nfs/dbraw/zinc/99/71/92/877997192.db2.gz XLRJDQZXVMBZBD-UHFFFAOYSA-N -2 3 385.379 3.548 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000013031457 884226445 /nfs/dbraw/zinc/22/64/45/884226445.db2.gz DZWNLPDXKCCJKE-UHFFFAOYSA-N -2 3 388.489 3.730 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1F)c1c(Cl)cc(F)cc1Br ZINC000131544144 886236822 /nfs/dbraw/zinc/23/68/22/886236822.db2.gz KWEDDIQFJDAUBT-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000322177939 891873968 /nfs/dbraw/zinc/87/39/68/891873968.db2.gz PFRAKLVAJHXUIH-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL CCc1nc(SC/C=C\CSc2nc(CC)c(C)c(=O)[n-]2)[n-]c(=O)c1C ZINC000563441248 893727803 /nfs/dbraw/zinc/72/78/03/893727803.db2.gz YTPVPTNLNBQCNE-FPLPWBNLSA-N -2 3 392.550 3.860 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c1 ZINC000537196854 894524343 /nfs/dbraw/zinc/52/43/43/894524343.db2.gz UNEIRFNFTFWVAK-UHFFFAOYSA-N -2 3 376.459 3.689 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2c(Cl)c(F)[n-]c(=O)c2Cl)ccc1Cl ZINC001185495054 913915702 /nfs/dbraw/zinc/91/57/02/913915702.db2.gz XRYQTYOJJUVECK-UHFFFAOYSA-N -2 3 385.631 3.996 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c(C)c1C ZINC000570075434 899105084 /nfs/dbraw/zinc/10/50/84/899105084.db2.gz YCVJUWLJAKRCJL-UHFFFAOYSA-N -2 3 389.473 3.608 20 0 GHADHL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1F ZINC000773251895 904615022 /nfs/dbraw/zinc/61/50/22/904615022.db2.gz QJTGYGVGKLJUFD-UHFFFAOYSA-N -2 3 387.454 3.692 20 0 GHADHL O=C(OCCCCCOC(=O)c1ccc([O-])cc1F)c1ccc([O-])cc1F ZINC000773575530 908075511 /nfs/dbraw/zinc/07/55/11/908075511.db2.gz ZHPSPIVRSVGXGQ-UHFFFAOYSA-N -2 3 380.343 3.560 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1cnc(Cl)c(Cl)c1 ZINC001188034591 915725294 /nfs/dbraw/zinc/72/52/94/915725294.db2.gz OZLGVDRLHHPDES-UHFFFAOYSA-N -2 3 376.246 3.505 20 0 GHADHL O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1ccc(Br)cc1[O-] ZINC001189101091 916403334 /nfs/dbraw/zinc/40/33/34/916403334.db2.gz TUFDOHUBKLKIAV-UHFFFAOYSA-N -2 3 390.686 3.793 20 0 GHADHL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191510392 918036672 /nfs/dbraw/zinc/03/66/72/918036672.db2.gz MBNAZXGOBUUMIG-UHFFFAOYSA-N -2 3 399.406 3.767 20 0 GHADHL Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000558692469 932169380 /nfs/dbraw/zinc/16/93/80/932169380.db2.gz KGXQOHBDMJOZJU-UHFFFAOYSA-N -2 3 395.305 3.791 20 0 GHADHL CC(C)Oc1c([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000799125984 932884469 /nfs/dbraw/zinc/88/44/69/932884469.db2.gz WNHJVAYHNRJMKN-KHPPLWFESA-N -2 3 379.409 3.724 20 0 GHADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000560417828 933248142 /nfs/dbraw/zinc/24/81/42/933248142.db2.gz GGVMNLGREJFCLA-NSHDSACASA-N -2 3 387.807 3.527 20 0 GHADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000323152752 970970190 /nfs/dbraw/zinc/97/01/90/970970190.db2.gz IVYUZFPZJHFIEE-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001595593655 981557800 /nfs/dbraw/zinc/55/78/00/981557800.db2.gz DYFDCPPYTPKYMH-AWEZNQCLSA-N -2 3 399.871 3.867 20 0 GHADHL C[C@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1csc(Cl)c1 ZINC001227594211 1032477590 /nfs/dbraw/zinc/47/75/90/1032477590.db2.gz KXFLVELESHTSQI-BYPYZUCNSA-N -2 3 375.635 3.676 20 0 GHADHL [O-]c1cc([O-])c(-c2nc(-c3ccccc3-n3ccnc3)no2)cc1Br ZINC001215471258 1029227537 /nfs/dbraw/zinc/22/75/37/1029227537.db2.gz TYPAWZKJKACNNN-UHFFFAOYSA-N -2 3 399.204 3.763 20 0 GHADHL COc1cc(F)ccc1-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215471440 1029227840 /nfs/dbraw/zinc/22/78/40/1029227840.db2.gz XHSRLPLDWOUSQC-UHFFFAOYSA-N -2 3 381.157 3.725 20 0 GHADHL C[C@@H]1C[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)CCO1 ZINC001225629508 1031517406 /nfs/dbraw/zinc/51/74/06/1031517406.db2.gz XKWWOYPASBZBKK-IAQYHMDHSA-N -2 3 384.384 3.523 20 0 GHADHL CCOC(=O)[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)C1CC1 ZINC001229773753 1033703681 /nfs/dbraw/zinc/70/36/81/1033703681.db2.gz MYZJZAZKZAIOMS-FQEVSTJZSA-N -2 3 396.395 3.592 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1Br)c1cccc(Cl)c1F ZINC001259470506 1045183148 /nfs/dbraw/zinc/18/31/48/1045183148.db2.gz RFIZHVCPXFLDLX-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL CC(=O)c1ccc(OCc2ccccc2)c([N-]S(=O)(=O)C2CCCC2)c1[O-] ZINC001259801913 1045308540 /nfs/dbraw/zinc/30/85/40/1045308540.db2.gz SNZIFVYWKJCMLQ-UHFFFAOYSA-N -2 3 389.473 3.858 20 0 GHADHL Cc1ccccc1CS(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001260023974 1045359740 /nfs/dbraw/zinc/35/97/40/1045359740.db2.gz ZNWMHLULAXRIMS-UHFFFAOYSA-N -2 3 377.462 3.598 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1ccc(F)c(Cl)c1 ZINC001321825477 1056408332 /nfs/dbraw/zinc/40/83/32/1056408332.db2.gz LMLZJMYVFPJQCN-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c1 ZINC001450219485 1060553592 /nfs/dbraw/zinc/55/35/92/1060553592.db2.gz XHNFTNHFOPUUMB-UHFFFAOYSA-N -2 3 392.411 3.922 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(Cl)c2)o1 ZINC000740172781 599772055 /nfs/dbraw/zinc/77/20/55/599772055.db2.gz HEJXARSXQNFDPH-QGZVFWFLSA-N -2 3 391.832 3.699 20 0 GHADHL Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000738409390 600886876 /nfs/dbraw/zinc/88/68/76/600886876.db2.gz VMXLSXJCOKTSDW-UHFFFAOYSA-N -2 3 394.880 3.748 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)ccc1N1CCCC1 ZINC000832898528 600981282 /nfs/dbraw/zinc/98/12/82/600981282.db2.gz OCBIEIMHKIIWAK-UHFFFAOYSA-N -2 3 394.880 3.748 20 0 GHADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000833028922 601215060 /nfs/dbraw/zinc/21/50/60/601215060.db2.gz UAPGGZKPMHSINR-SSDOTTSWSA-N -2 3 378.233 3.633 20 0 GHADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)c2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000833027183 601220173 /nfs/dbraw/zinc/22/01/73/601220173.db2.gz DYBABVDJYIPKJS-UHFFFAOYSA-N -2 3 391.367 3.519 20 0 GHADHL CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC000826936055 601359972 /nfs/dbraw/zinc/35/99/72/601359972.db2.gz ZQJWCJBKTMTIKS-IZZDOVSWSA-N -2 3 392.452 3.569 20 0 GHADHL O=C([O-])CCc1csc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000833241091 604737677 /nfs/dbraw/zinc/73/76/77/604737677.db2.gz VVILYPHSHBFTIR-UHFFFAOYSA-N -2 3 398.440 3.697 20 0 GHADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccs1 ZINC000650238617 837513032 /nfs/dbraw/zinc/51/30/32/837513032.db2.gz OSMYHFKJTRFHOX-SNVBAGLBSA-N -2 3 380.274 3.549 20 0 GHADHL O=C([N-]c1nnc(Cc2ccccc2F)s1)c1cc(F)c(F)c([O-])c1F ZINC000186203454 837089352 /nfs/dbraw/zinc/08/93/52/837089352.db2.gz VVWNMKNCNPFVFO-UHFFFAOYSA-N -2 3 383.326 3.643 20 0 GHADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)(CC(=O)[O-])C1 ZINC000547899393 837380417 /nfs/dbraw/zinc/38/04/17/837380417.db2.gz UOUVENCNVJGGBU-MEBBXXQBSA-N -2 3 380.293 3.553 20 0 GHADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000657142277 844524199 /nfs/dbraw/zinc/52/41/99/844524199.db2.gz CSQCMCCAOGBEAC-SKDRFNHKSA-N -2 3 380.293 3.551 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)c(C)c1C(=O)[O-] ZINC000512730746 845232462 /nfs/dbraw/zinc/23/24/62/845232462.db2.gz UBYSUKKGCOAATD-UHFFFAOYSA-N -2 3 377.462 3.980 20 0 GHADHL Cc1nc(C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)sc1C(=O)[O-] ZINC000910353973 851169032 /nfs/dbraw/zinc/16/90/32/851169032.db2.gz INVHXHOMGNKKCP-UHFFFAOYSA-N -2 3 380.853 3.529 20 0 GHADHL Cc1cc(=O)[n-]c(C=Cc2cc(Br)c([O-])c(Br)c2)n1 ZINC000436783189 852334647 /nfs/dbraw/zinc/33/46/47/852334647.db2.gz LCLHBFWDNVTEGN-NSCUHMNNSA-N -2 3 386.043 3.892 20 0 GHADHL COc1c(Cl)cc(Cl)cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000195503288 856437370 /nfs/dbraw/zinc/43/73/70/856437370.db2.gz XMUJOLRAZWDEJA-HWKANZROSA-N -2 3 383.231 3.581 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(C)c1CC(=O)[O-] ZINC000181211034 862799347 /nfs/dbraw/zinc/79/93/47/862799347.db2.gz OWUVEBOOUCVTFE-UHFFFAOYSA-N -2 3 392.864 3.565 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c(C)c1CC(=O)[O-] ZINC000181237536 862808103 /nfs/dbraw/zinc/80/81/03/862808103.db2.gz WXVNBRWUSKYZOK-UHFFFAOYSA-N -2 3 386.473 3.531 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000508252362 857123595 /nfs/dbraw/zinc/12/35/95/857123595.db2.gz AWUVKHCSOIHJMD-UHFFFAOYSA-N -2 3 380.441 3.707 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1C ZINC000057769665 857232323 /nfs/dbraw/zinc/23/23/23/857232323.db2.gz WYLUWSLBBCJOOV-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1Oc1cccnc1 ZINC000466352437 859183367 /nfs/dbraw/zinc/18/33/67/859183367.db2.gz KWNCPTMXILCLLU-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC000327345380 859818200 /nfs/dbraw/zinc/81/82/00/859818200.db2.gz CIXZYLFLEAYEDV-UHFFFAOYSA-N -2 3 383.853 3.936 20 0 GHADHL COc1cc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)c(Cl)cc1C(=O)[O-] ZINC000474316302 859843983 /nfs/dbraw/zinc/84/39/83/859843983.db2.gz YTQCDLHZNJYBJU-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1Br ZINC000484530458 860082774 /nfs/dbraw/zinc/08/27/74/860082774.db2.gz TUNCQKZVHXETEH-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1 ZINC000614743472 866105961 /nfs/dbraw/zinc/10/59/61/866105961.db2.gz ZDKIPIKNPKZGHZ-UHFFFAOYSA-N -2 3 377.462 3.539 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1C(=O)[O-] ZINC000152930227 866863939 /nfs/dbraw/zinc/86/39/39/866863939.db2.gz DUGAWGXGROBPCD-UHFFFAOYSA-N -2 3 398.278 3.819 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1Cl ZINC000793362858 882125956 /nfs/dbraw/zinc/12/59/56/882125956.db2.gz FSNRPFYKHSLXCR-UHFFFAOYSA-N -2 3 387.816 3.685 20 0 GHADHL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000446626356 870143891 /nfs/dbraw/zinc/14/38/91/870143891.db2.gz UZTMOOOXYOHHHH-UHFFFAOYSA-N -2 3 375.418 3.823 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)cc3c2)cc1C(=O)[O-] ZINC001192648947 870555815 /nfs/dbraw/zinc/55/58/15/870555815.db2.gz LOKWIMAKRWNMJH-UHFFFAOYSA-N -2 3 375.402 3.639 20 0 GHADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c2ccccc12 ZINC000182420886 872336437 /nfs/dbraw/zinc/33/64/37/872336437.db2.gz XCIIVERTFQHBFU-UHFFFAOYSA-N -2 3 390.848 3.958 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(OC)c2)cc1C(=O)[O-] ZINC000463789309 872561957 /nfs/dbraw/zinc/56/19/57/872561957.db2.gz MBNQGPCWLAQNOL-UHFFFAOYSA-N -2 3 393.461 3.544 20 0 GHADHL O=C([O-])c1cc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)cc(C(F)(F)F)c1 ZINC000788746267 878319376 /nfs/dbraw/zinc/31/93/76/878319376.db2.gz PDZJMPWBEJDJFL-UHFFFAOYSA-N -2 3 399.346 3.579 20 0 GHADHL Cc1sc2[n-]c([C@@H](C)OC(=O)c3c(F)cc([O-])cc3F)nc(=O)c2c1C ZINC000746984537 880258952 /nfs/dbraw/zinc/25/89/52/880258952.db2.gz FMZNYMSODBOTPQ-SSDOTTSWSA-N -2 3 380.372 3.916 20 0 GHADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1Br ZINC000013269577 884354363 /nfs/dbraw/zinc/35/43/63/884354363.db2.gz WZORVYRXZDDVBY-UHFFFAOYSA-N -2 3 390.642 3.602 20 0 GHADHL COc1cc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1C ZINC000808126417 886003656 /nfs/dbraw/zinc/00/36/56/886003656.db2.gz OQVKMDZHUYSJRJ-UHFFFAOYSA-N -2 3 387.816 3.604 20 0 GHADHL Cc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000322712644 887593843 /nfs/dbraw/zinc/59/38/43/887593843.db2.gz SYRNSDFBCMMMOY-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cccc(O)c3)cc2)cc1C(=O)[O-] ZINC001184703182 913369565 /nfs/dbraw/zinc/36/95/65/913369565.db2.gz KCXOHCYONXXMHE-UHFFFAOYSA-N -2 3 383.425 3.867 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)C)cc2)cc1C(=O)[O-] ZINC001184703970 913369876 /nfs/dbraw/zinc/36/98/76/913369876.db2.gz QINSWCOVJWBJCG-UHFFFAOYSA-N -2 3 377.462 3.919 20 0 GHADHL C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)cc1 ZINC000578464659 903867804 /nfs/dbraw/zinc/86/78/04/903867804.db2.gz CMNUXSOQGYSGQY-SNAWJCMRSA-N -2 3 375.446 3.601 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc([O-])cc(F)c2)cc1NC(=O)C(C)(C)C ZINC000634788882 908826978 /nfs/dbraw/zinc/82/69/78/908826978.db2.gz NHJHJGTXFGJCEK-UHFFFAOYSA-N -2 3 380.441 3.625 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)ccc1Cl ZINC001188279671 915871653 /nfs/dbraw/zinc/87/16/53/915871653.db2.gz LPUVBAMXSJHTRW-UHFFFAOYSA-N -2 3 381.624 3.541 20 0 GHADHL COc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188314601 915882260 /nfs/dbraw/zinc/88/22/60/915882260.db2.gz QYOPUEMZJCAKJG-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)cc1 ZINC000903012404 922709936 /nfs/dbraw/zinc/70/99/36/922709936.db2.gz PLUXAPUDAWTUOJ-UHFFFAOYSA-N -2 3 377.462 3.539 20 0 GHADHL CC1C[C@@H](C(=O)Nc2c([O-])cccc2F)[C@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000681480813 925829605 /nfs/dbraw/zinc/82/96/05/925829605.db2.gz GQWXDXKLTNTGKX-VXGBXAGGSA-N -2 3 390.386 3.616 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1C(=O)[O-] ZINC000467082569 928677133 /nfs/dbraw/zinc/67/71/33/928677133.db2.gz QXJYRIDXGUDWSH-UHFFFAOYSA-N -2 3 377.462 3.919 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c(Cl)cc1Cl ZINC000390330946 972276350 /nfs/dbraw/zinc/27/63/50/972276350.db2.gz CRUAUBIBFNIQHY-UHFFFAOYSA-N -2 3 388.219 3.548 20 0 GHADHL C[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)CC(C)(C)C ZINC001592519130 978361266 /nfs/dbraw/zinc/36/12/66/978361266.db2.gz BKDSYXJBTLNAOP-SNVBAGLBSA-N -2 3 379.881 3.918 20 0 GHADHL CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(F)cc3C(=O)[O-])ccc2[nH]1 ZINC001595799450 982612914 /nfs/dbraw/zinc/61/29/14/982612914.db2.gz RAUJSXQTSSGBJQ-UHFFFAOYSA-N -2 3 391.424 3.544 20 0 GHADHL CCOc1ccc(C[C@H](CNC(=O)c2ccc(C(C)C)cc2[O-])C(=O)[O-])cc1 ZINC001597089320 986670162 /nfs/dbraw/zinc/67/01/62/986670162.db2.gz QOPJKSRFRDHCFJ-QGZVFWFLSA-N -2 3 385.460 3.588 20 0 GHADHL CC(C)(C)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001589728881 987937431 /nfs/dbraw/zinc/93/74/31/987937431.db2.gz QFEJWCDSJWJWHF-MFKMUULPSA-N -2 3 377.865 3.670 20 0 GHADHL COc1cccc([C@@](C)(CC(=O)[O-])[N-]C(=O)C(F)(F)c2c(F)cccc2F)c1 ZINC001599648757 994463101 /nfs/dbraw/zinc/46/31/01/994463101.db2.gz DHKNJNUBLRKGOA-GOSISDBHSA-N -2 3 399.340 3.572 20 0 GHADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)[C@@H](C)c1ccccc1 ZINC001593330345 994893419 /nfs/dbraw/zinc/89/34/19/994893419.db2.gz HOEUTCDFSCYQQB-MNOVXSKESA-N -2 3 385.844 3.648 20 0 GHADHL C[C@@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001594363769 999373246 /nfs/dbraw/zinc/37/32/46/999373246.db2.gz LCQNACRWTJMXEF-GHMZBOCLSA-N -2 3 377.865 3.672 20 0 GHADHL O=c1nc2nc(Br)[n-]c2c(O[C@@H](c2ccccc2)C(F)(F)F)[n-]1 ZINC001227593675 1032478013 /nfs/dbraw/zinc/47/80/13/1032478013.db2.gz GHSSPOSLAXBVPA-QMMMGPOBSA-N -2 3 389.131 3.503 20 0 GHADHL C[C@@H]1c2cnccc2C[C@@H]1Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121738 1032796031 /nfs/dbraw/zinc/79/60/31/1032796031.db2.gz HKQCHWQXEPZUGK-ODXCJYRJSA-N -2 3 377.396 3.537 20 0 GHADHL Nc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)c([O-])c2F)cc1Cl ZINC001214804098 1028917387 /nfs/dbraw/zinc/91/73/87/1028917387.db2.gz NMHICBJUERBJRR-UHFFFAOYSA-N -2 3 385.631 3.875 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC[C@@H]2CC[C@H](C)O2)cc1 ZINC001229669913 1033630248 /nfs/dbraw/zinc/63/02/48/1033630248.db2.gz WNVWTDZPYOVUQB-LRDDRELGSA-N -2 3 398.411 3.826 20 0 GHADHL C[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)c1cncnc1 ZINC001229772695 1033701654 /nfs/dbraw/zinc/70/16/54/1033701654.db2.gz DAOZZCWBANKKCE-GFCCVEGCSA-N -2 3 376.368 3.801 20 0 GHADHL O=S(=O)([N-]c1ccc2[n-]c(=S)sc2c1)c1ccc(OC(F)F)cc1 ZINC001259430759 1045147194 /nfs/dbraw/zinc/14/71/94/1045147194.db2.gz CXHWXUIUVZKHCN-UHFFFAOYSA-N -2 3 388.442 3.987 20 0 GHADHL O=S(=O)([N-]c1ccc2c(c1)OC(F)(F)O2)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875244 1045731298 /nfs/dbraw/zinc/73/12/98/1045731298.db2.gz NRHYYJPDZBNKBL-UHFFFAOYSA-N -2 3 398.170 3.821 20 0 GHADHL Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc(Cl)c([O-])c(Cl)c3)ccc12 ZINC001260875980 1045731893 /nfs/dbraw/zinc/73/18/93/1045731893.db2.gz JDIQLDNCBKUAHY-UHFFFAOYSA-N -2 3 386.260 3.695 20 0 GHADHL COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(Cl)cc(Cl)c1[O-])c2=O ZINC001306771935 1048877838 /nfs/dbraw/zinc/87/78/38/1048877838.db2.gz JGOOOWJAERYSKM-UHFFFAOYSA-N -2 3 379.199 3.801 20 0 GHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)cc1 ZINC001321231030 1056173668 /nfs/dbraw/zinc/17/36/68/1056173668.db2.gz KROYHAYWIMNIRE-UHFFFAOYSA-N -2 3 386.267 3.744 20 0 GHADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)cc1C ZINC001321232818 1056175327 /nfs/dbraw/zinc/17/53/27/1056175327.db2.gz WOMXXPVLOKLVHQ-UHFFFAOYSA-N -2 3 386.267 3.581 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)c(Cl)c1 ZINC001326240781 1057440030 /nfs/dbraw/zinc/44/00/30/1057440030.db2.gz AZVQTIZSGFDKCY-UHFFFAOYSA-N -2 3 376.659 3.917 20 0 GHADHL O=S(=O)([N-]c1ccc(OCC2CCOCC2)cc1)c1cccc(Cl)c1[O-] ZINC000451012362 450602079 /nfs/dbraw/zinc/60/20/79/450602079.db2.gz WDPPCOMVGCEMBW-UHFFFAOYSA-N -2 3 397.880 3.652 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])ccc1OC1CCOCC1 ZINC000451017876 450602676 /nfs/dbraw/zinc/60/26/76/450602676.db2.gz QLKVEWYTCRFTMG-UHFFFAOYSA-N -2 3 397.880 3.713 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])sc1Br ZINC000403181444 601961925 /nfs/dbraw/zinc/96/19/25/601961925.db2.gz FZDCPKOPXVURNP-UHFFFAOYSA-N -2 3 398.344 3.523 20 0 GHADHL COc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)[O-])cc1-c1nnn[n-]1 ZINC000737081521 599153867 /nfs/dbraw/zinc/15/38/67/599153867.db2.gz FQGVUACRHDCKIX-RAXLEYEMSA-N -2 3 399.410 3.609 20 0 GHADHL COc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)[O-])cc1-c1nn[n-]n1 ZINC000737081521 599153869 /nfs/dbraw/zinc/15/38/69/599153869.db2.gz FQGVUACRHDCKIX-RAXLEYEMSA-N -2 3 399.410 3.609 20 0 GHADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1 ZINC000393245549 599905832 /nfs/dbraw/zinc/90/58/32/599905832.db2.gz XWROGPFAXKPBHR-UHFFFAOYSA-N -2 3 383.853 3.935 20 0 GHADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000738277447 599908272 /nfs/dbraw/zinc/90/82/72/599908272.db2.gz YZDLPWACZPENDP-UHFFFAOYSA-N -2 3 394.880 3.748 20 0 GHADHL CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737497088 600213109 /nfs/dbraw/zinc/21/31/09/600213109.db2.gz WCKUBGHVBFMYSP-KRWDZBQOSA-N -2 3 395.440 3.915 20 0 GHADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000326818641 600483206 /nfs/dbraw/zinc/48/32/06/600483206.db2.gz XNKFXZGXFWMAPL-UHFFFAOYSA-N -2 3 383.853 3.874 20 0 GHADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000739686855 600489172 /nfs/dbraw/zinc/48/91/72/600489172.db2.gz CQIYEGIWSFNTNK-UHFFFAOYSA-N -2 3 387.816 3.524 20 0 GHADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)cc1 ZINC000673981833 600627167 /nfs/dbraw/zinc/62/71/67/600627167.db2.gz ODXZMYOBLPBVLR-UHFFFAOYSA-N -2 3 385.416 3.921 20 0 GHADHL CCC(CC)(CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000828815360 600764343 /nfs/dbraw/zinc/76/43/43/600764343.db2.gz OLQCUJKIOYDKEQ-UHFFFAOYSA-N -2 3 396.278 3.534 20 0 GHADHL CCN(c1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1)C(C)C ZINC000013346189 601359345 /nfs/dbraw/zinc/35/93/45/601359345.db2.gz OQOPLJFEOPPBDI-VGOFMYFVSA-N -2 3 388.489 3.820 20 0 GHADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877943 601837495 /nfs/dbraw/zinc/83/74/95/601837495.db2.gz CYPMNDGXASSEFH-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(C)c(NC(=O)[O-])c3)c2)n1 ZINC000829894108 603473884 /nfs/dbraw/zinc/47/38/84/603473884.db2.gz NREHGPAWOOCBSY-UHFFFAOYSA-N -2 3 379.372 3.775 20 0 GHADHL C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000825246569 604298927 /nfs/dbraw/zinc/29/89/27/604298927.db2.gz SKTVXIAQYKTWKY-CABCVRRESA-N -2 3 384.432 3.693 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c(Cl)cc1Cl ZINC000833303093 604662869 /nfs/dbraw/zinc/66/28/69/604662869.db2.gz HVKQVBJLNJMIPF-ZETCQYMHSA-N -2 3 388.219 3.548 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-] ZINC000547617776 834378828 /nfs/dbraw/zinc/37/88/28/834378828.db2.gz YSAZERSKWBAGNF-UHFFFAOYSA-N -2 3 387.885 3.954 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc(C(=O)[O-])c1C ZINC000471138406 834911519 /nfs/dbraw/zinc/91/15/19/834911519.db2.gz YZHUTHJVAKXPCX-UHFFFAOYSA-N -2 3 375.446 3.591 20 0 GHADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(SC(C)C)cc2)oc1C(=O)[O-] ZINC000663422974 843555265 /nfs/dbraw/zinc/55/52/65/843555265.db2.gz PSLIVZDCXRXFPX-LBPRGKRZSA-N -2 3 383.491 3.826 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)ccc1C(=O)[O-] ZINC000432779801 843805620 /nfs/dbraw/zinc/80/56/20/843805620.db2.gz LUFDMVWUKVZEPW-UHFFFAOYSA-N -2 3 393.461 3.619 20 0 GHADHL Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504710640 850250639 /nfs/dbraw/zinc/25/06/39/850250639.db2.gz DKPRQBHGSKJERL-HJWRWDBZSA-N -2 3 398.850 3.744 20 0 GHADHL CCCN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436757198 852303526 /nfs/dbraw/zinc/30/35/26/852303526.db2.gz HKDMPQGRYBJVNV-UHFFFAOYSA-N -2 3 396.896 3.719 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000441390503 854172399 /nfs/dbraw/zinc/17/23/99/854172399.db2.gz ZWNVQIMWYGCANC-UHFFFAOYSA-N -2 3 389.351 3.647 20 0 GHADHL CSc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cc1 ZINC000522395787 859325655 /nfs/dbraw/zinc/32/56/55/859325655.db2.gz VOSXEGRDSOEIPL-UHFFFAOYSA-N -2 3 395.502 3.761 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc(C)c1F ZINC000484926277 860502221 /nfs/dbraw/zinc/50/22/21/860502221.db2.gz NFIICJGVAVIPKT-UHFFFAOYSA-N -2 3 391.342 3.960 20 0 GHADHL Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2s1 ZINC000479274672 867499640 /nfs/dbraw/zinc/49/96/40/867499640.db2.gz GPLPUKZROZUPNY-UHFFFAOYSA-N -2 3 386.838 3.659 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000793348923 882144378 /nfs/dbraw/zinc/14/43/78/882144378.db2.gz GKQUUGRCUAROGX-UHFFFAOYSA-N -2 3 393.314 3.532 20 0 GHADHL COc1ccc(-c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)c([O-])c1 ZINC000445388702 868339729 /nfs/dbraw/zinc/33/97/29/868339729.db2.gz DGTFJFXYLYMCMX-UHFFFAOYSA-N -2 3 393.193 3.595 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)cc1CC(=O)[O-] ZINC000540338307 871023430 /nfs/dbraw/zinc/02/34/30/871023430.db2.gz NYGCITGARTVNHF-UHFFFAOYSA-N -2 3 391.489 3.712 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(Cl)ncc3ccccc32)c(F)cc1F ZINC001195195270 872249255 /nfs/dbraw/zinc/24/92/55/872249255.db2.gz VCTKWPAPVUZLST-UHFFFAOYSA-N -2 3 398.774 3.665 20 0 GHADHL Cc1c(F)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1Cl ZINC001195237365 872304869 /nfs/dbraw/zinc/30/48/69/872304869.db2.gz CUBOUGVBHZKRES-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1)C(=O)[O-] ZINC000463800400 872653683 /nfs/dbraw/zinc/65/36/83/872653683.db2.gz QBQHONGCDSKINN-MRXNPFEDSA-N -2 3 391.489 3.928 20 0 GHADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1c(Cl)cccc1OC(F)(F)F ZINC001198782305 874606365 /nfs/dbraw/zinc/60/63/65/874606365.db2.gz GGMMOGPJGGHFST-UHFFFAOYSA-N -2 3 395.742 3.738 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC2CCCC2)cc1C(=O)[O-] ZINC001184702789 913369274 /nfs/dbraw/zinc/36/92/74/913369274.db2.gz DXVLKEZMMADAAC-UHFFFAOYSA-N -2 3 393.436 3.955 20 0 GHADHL C[C@@H](NC(=O)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21)c1ccccc1 ZINC001185013279 913578745 /nfs/dbraw/zinc/57/87/45/913578745.db2.gz PSNUAUAKQOBLJD-GFCCVEGCSA-N -2 3 386.429 3.675 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1F ZINC001185906124 914166831 /nfs/dbraw/zinc/16/68/31/914166831.db2.gz LAHIVNLVSKVXFZ-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cc3ccccc3)cc2)ccc1F ZINC001186179611 914345760 /nfs/dbraw/zinc/34/57/60/914345760.db2.gz YMCQZGZLFIWHOA-UHFFFAOYSA-N -2 3 385.416 3.916 20 0 GHADHL Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])c2)n1 ZINC000570870297 899654400 /nfs/dbraw/zinc/65/44/00/899654400.db2.gz SSMRZLHBKLDRRG-UHFFFAOYSA-N -2 3 377.853 3.649 20 0 GHADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1ccc2oc3ccccc3c2c1 ZINC000826492782 901210975 /nfs/dbraw/zinc/21/09/75/901210975.db2.gz CSRPWGHDBRJIMA-UHFFFAOYSA-N -2 3 391.412 3.567 20 0 GHADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC(C)C)ccc1[O-] ZINC000577993669 903423809 /nfs/dbraw/zinc/42/38/09/903423809.db2.gz LHZLXBPUFGBPII-UHFFFAOYSA-N -2 3 398.868 3.592 20 0 GHADHL CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c([O-])c1 ZINC001186788912 914808056 /nfs/dbraw/zinc/80/80/56/914808056.db2.gz XEYXAVNWEXDUSV-UHFFFAOYSA-N -2 3 383.322 3.723 20 0 GHADHL C[C@H](C(=O)NCCCCP(=O)([O-])[O-])c1ccc(-c2ccccc2)c(F)c1 ZINC001182253028 911348882 /nfs/dbraw/zinc/34/88/82/911348882.db2.gz DCNZTJYJTVQZTM-AWEZNQCLSA-N -2 3 379.368 3.670 20 0 GHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2F)cc1 ZINC001192131714 918431480 /nfs/dbraw/zinc/43/14/80/918431480.db2.gz IPEHFGPDINZITC-UHFFFAOYSA-N -2 3 391.342 3.663 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1C(F)(F)F ZINC000677233212 924293420 /nfs/dbraw/zinc/29/34/20/924293420.db2.gz JMOKHSWYQWRNPD-UHFFFAOYSA-N -2 3 399.268 3.622 20 0 GHADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410425513 925629104 /nfs/dbraw/zinc/62/91/04/925629104.db2.gz WXPZBVNPKPWKIB-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC(C)C)c2)cc1C(=O)[O-] ZINC000546179875 929932305 /nfs/dbraw/zinc/93/23/05/929932305.db2.gz SKABDUBBGUUBDC-UHFFFAOYSA-N -2 3 393.461 3.544 20 0 GHADHL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)C(F)(F)F ZINC001594922174 982475483 /nfs/dbraw/zinc/47/54/83/982475483.db2.gz XAGYHHWHZMZBBH-ZUZCIYMTSA-N -2 3 389.395 3.793 20 0 GHADHL CC(C)(C(=O)[O-])c1csc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)n1 ZINC001589656642 987621695 /nfs/dbraw/zinc/62/16/95/987621695.db2.gz SJRNPNXQXOGYJA-UHFFFAOYSA-N -2 3 375.381 3.552 20 0 GHADHL CC(C)(C)C1CCC(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001589729176 987941225 /nfs/dbraw/zinc/94/12/25/987941225.db2.gz VIXKXRXOZLHUIC-UHFFFAOYSA-N -2 3 389.464 3.794 20 0 GHADHL COc1c(Br)cccc1[C@H](C)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780848 1032125605 /nfs/dbraw/zinc/12/56/05/1032125605.db2.gz BNYOVBUYCRECHI-ZETCQYMHSA-N -2 3 381.255 3.553 20 0 GHADHL CC1(C)CCC[C@]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)(C(=O)[O-])C1 ZINC001593898153 996760276 /nfs/dbraw/zinc/76/02/76/996760276.db2.gz AWKWVHGZOGHLEC-OAHLLOKOSA-N -2 3 380.293 3.695 20 0 GHADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)c(C(=O)[O-])ccc2Cl)c1 ZINC001599577261 998465778 /nfs/dbraw/zinc/46/57/78/998465778.db2.gz IQWXEPJUBQKUPL-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL C[C@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001594363881 999374336 /nfs/dbraw/zinc/37/43/36/999374336.db2.gz NLIQYIAPUZDJHE-QWRGUYRKSA-N -2 3 377.865 3.672 20 0 GHADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1OC[C@H]1CCc2ccccc2O1 ZINC001228119575 1032793980 /nfs/dbraw/zinc/79/39/80/1032793980.db2.gz JJKCTVOETCMDOB-QGZVFWFLSA-N -2 3 392.407 3.807 20 0 GHADHL O=C([O-])c1cc([N-]c2nonc2-c2cn3ccncc3n2)c(Cl)cc1Cl ZINC001216359720 1029615516 /nfs/dbraw/zinc/61/55/16/1029615516.db2.gz WQWNQQQKEXTXPV-UHFFFAOYSA-N -2 3 391.174 3.528 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC2CCC(=O)CC2)cc1 ZINC001229667956 1033629250 /nfs/dbraw/zinc/62/92/50/1033629250.db2.gz BGPMNTNLBSQFBZ-UHFFFAOYSA-N -2 3 396.395 3.770 20 0 GHADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC000547940816 1043767424 /nfs/dbraw/zinc/76/74/24/1043767424.db2.gz AUYOBBDDHZADBJ-OAHLLOKOSA-N -2 3 384.457 3.856 20 0 GHADHL CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1c([O-])cccc1C(F)(F)F)C(=O)C2 ZINC001258987047 1044919962 /nfs/dbraw/zinc/91/99/62/1044919962.db2.gz QOUICGOBEHLKRM-QLJPJBMISA-N -2 3 391.411 3.548 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)c(F)cc1Cl ZINC001259223765 1045019396 /nfs/dbraw/zinc/01/93/96/1045019396.db2.gz IZSBDGKSVMNJSQ-QGZVFWFLSA-N -2 3 397.855 3.997 20 0 GHADHL COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)cc(Cl)c3[O-])nc21 ZINC001295455692 1045024260 /nfs/dbraw/zinc/02/42/60/1045024260.db2.gz ZDXZBJGFYIVOMC-UHFFFAOYSA-N -2 3 380.187 3.614 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1-c1ccccc1 ZINC001260399078 1045487042 /nfs/dbraw/zinc/48/70/42/1045487042.db2.gz RPPNQKPLQZBKTI-UHFFFAOYSA-N -2 3 399.424 3.567 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](CCc2ccccc2)c2ccccc2)o1 ZINC000740172682 599772041 /nfs/dbraw/zinc/77/20/41/599772041.db2.gz DLBYFMFVXSUFPD-QGZVFWFLSA-N -2 3 385.441 3.630 20 0 GHADHL CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000736532618 599885841 /nfs/dbraw/zinc/88/58/41/599885841.db2.gz MWTHHLSTNLRZHT-UHFFFAOYSA-N -2 3 399.472 3.554 20 0 GHADHL CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736990481 600302325 /nfs/dbraw/zinc/30/23/25/600302325.db2.gz MENCMEGDFNDXOM-UHFFFAOYSA-N -2 3 392.477 3.824 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738275889 600537923 /nfs/dbraw/zinc/53/79/23/600537923.db2.gz FPRZOQTVIXQHOK-UHFFFAOYSA-N -2 3 379.825 3.906 20 0 GHADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)nc1 ZINC000733252174 600629099 /nfs/dbraw/zinc/62/90/99/600629099.db2.gz ZPFBLWAUHODZFJ-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)c1C(=O)[O-] ZINC000832972689 600818483 /nfs/dbraw/zinc/81/84/83/600818483.db2.gz KFXKVSKZDQWWOD-UHFFFAOYSA-N -2 3 377.462 3.919 20 0 GHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832899808 601326676 /nfs/dbraw/zinc/32/66/76/601326676.db2.gz RXCHTOSRMCYLTO-IZZDOVSWSA-N -2 3 375.446 3.681 20 0 GHADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000391798964 601843459 /nfs/dbraw/zinc/84/34/59/601843459.db2.gz FEDQTZUNDSCVIG-UHFFFAOYSA-N -2 3 389.260 3.558 20 0 GHADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833504543 605118884 /nfs/dbraw/zinc/11/88/84/605118884.db2.gz KITVMTLGJHNJJS-UHFFFAOYSA-N -2 3 386.832 3.798 20 0 GHADHL O=c1nc(CSc2ccc(-c3nnn[n-]3)cc2Cl)[n-]c2ccsc21 ZINC000823656336 606852314 /nfs/dbraw/zinc/85/23/14/606852314.db2.gz BSAUGKFUCYFKLT-UHFFFAOYSA-N -2 3 376.854 3.523 20 0 GHADHL O=c1nc(CSc2ccc(-c3nn[n-]n3)cc2Cl)[n-]c2ccsc21 ZINC000823656336 606852315 /nfs/dbraw/zinc/85/23/15/606852315.db2.gz BSAUGKFUCYFKLT-UHFFFAOYSA-N -2 3 376.854 3.523 20 0 GHADHL C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCCC1 ZINC000820226025 607120704 /nfs/dbraw/zinc/12/07/04/607120704.db2.gz RZYCXINKFXZYTB-SFHVURJKSA-N -2 3 391.859 3.520 20 0 GHADHL C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCCC1 ZINC000820226025 607120706 /nfs/dbraw/zinc/12/07/06/607120706.db2.gz RZYCXINKFXZYTB-SFHVURJKSA-N -2 3 391.859 3.520 20 0 GHADHL O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000826423659 608204944 /nfs/dbraw/zinc/20/49/44/608204944.db2.gz ZWGZVELOEMDHKX-UHFFFAOYSA-N -2 3 398.637 3.714 20 0 GHADHL O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000826423659 608204945 /nfs/dbraw/zinc/20/49/45/608204945.db2.gz ZWGZVELOEMDHKX-UHFFFAOYSA-N -2 3 398.637 3.714 20 0 GHADHL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000500325776 840136601 /nfs/dbraw/zinc/13/66/01/840136601.db2.gz PBRGNHQIRCCQRD-UHFFFAOYSA-N -2 3 397.880 3.902 20 0 GHADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000548239350 842254955 /nfs/dbraw/zinc/25/49/55/842254955.db2.gz CZRWBMJLUWQFRN-UHFFFAOYSA-N -2 3 378.208 3.773 20 0 GHADHL O=C([O-])CCc1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)cc1 ZINC000504468954 850082900 /nfs/dbraw/zinc/08/29/00/850082900.db2.gz ZKVPBANGLONCMS-UHFFFAOYSA-N -2 3 391.196 3.921 20 0 GHADHL Cc1nc(C=Cc2ccc(Cl)c(Br)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504723168 850272283 /nfs/dbraw/zinc/27/22/83/850272283.db2.gz YUWIEZYNMVVEAC-HYXAFXHYSA-N -2 3 383.629 3.704 20 0 GHADHL O=C(Nc1cccc(NC(=O)c2ccc([O-])cc2F)c1)c1ccc([O-])cc1F ZINC000436826694 852396183 /nfs/dbraw/zinc/39/61/83/852396183.db2.gz LHYQYJLWNVBONU-UHFFFAOYSA-N -2 3 384.338 3.881 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1C(=O)[O-] ZINC000440813614 853634140 /nfs/dbraw/zinc/63/41/40/853634140.db2.gz YJCYKKVYPRNBHM-UHFFFAOYSA-N -2 3 375.446 3.537 20 0 GHADHL CCCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000032588527 856243073 /nfs/dbraw/zinc/24/30/73/856243073.db2.gz CIOXJYDBNHRTTF-UHFFFAOYSA-N -2 3 377.462 3.684 20 0 GHADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1Br ZINC000507888894 856631164 /nfs/dbraw/zinc/63/11/64/856631164.db2.gz NQLQSFNYNSQGNN-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000065079722 857769663 /nfs/dbraw/zinc/76/96/63/857769663.db2.gz OTVFLGXVBOSIDO-UHFFFAOYSA-N -2 3 398.440 3.935 20 0 GHADHL Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000509396697 859310761 /nfs/dbraw/zinc/31/07/61/859310761.db2.gz MNXXJTRDOOKHJL-UHFFFAOYSA-N -2 3 396.468 3.788 20 0 GHADHL Cc1nc(-c2ccccc2)c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)s1 ZINC000738831954 859507986 /nfs/dbraw/zinc/50/79/86/859507986.db2.gz MRUVVYMWTPJQEU-UHFFFAOYSA-N -2 3 388.474 3.630 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000484812416 860383682 /nfs/dbraw/zinc/38/36/82/860383682.db2.gz LANRRAOBWQFVLC-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1Cl ZINC000743254422 868020331 /nfs/dbraw/zinc/02/03/31/868020331.db2.gz PENMUGZVCTTZNA-UHFFFAOYSA-N -2 3 398.843 3.578 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000540497653 871427975 /nfs/dbraw/zinc/42/79/75/871427975.db2.gz ZMNWUXPPYXCGPB-UHFFFAOYSA-N -2 3 378.233 3.517 20 0 GHADHL O=C(Nc1cc(Br)ccc1[O-])c1c([O-])c(F)c(F)c(F)c1F ZINC001195294144 872317903 /nfs/dbraw/zinc/31/79/03/872317903.db2.gz AOUKSWRDZPNFHA-UHFFFAOYSA-N -2 3 380.091 3.669 20 0 GHADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000541304214 873322366 /nfs/dbraw/zinc/32/23/66/873322366.db2.gz UWQZVRMPWSIERW-GFCCVEGCSA-N -2 3 399.415 3.710 20 0 GHADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1C ZINC000541305011 873326579 /nfs/dbraw/zinc/32/65/79/873326579.db2.gz WUOIQFAALKUEBM-LBPRGKRZSA-N -2 3 377.462 3.691 20 0 GHADHL O=P([O-])([O-])CCCCNC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC001198243538 874307136 /nfs/dbraw/zinc/30/71/36/874307136.db2.gz YSWNEOWLALVEFT-UHFFFAOYSA-N -2 3 390.751 3.603 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)cc1C(=O)[O-] ZINC000530144396 877162817 /nfs/dbraw/zinc/16/28/17/877162817.db2.gz IWALILUTDWOPRA-UHFFFAOYSA-N -2 3 389.473 3.696 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000917717156 892424072 /nfs/dbraw/zinc/42/40/72/892424072.db2.gz GOWISRPITSOCDU-UHFFFAOYSA-N -2 3 375.446 3.815 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1F ZINC001185909452 914168898 /nfs/dbraw/zinc/16/88/98/914168898.db2.gz VRRBKKHTJQVVNC-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL Cc1cnc(SCC(CSc2ncc(C)c(=O)[n-]2)C(C)(C)C)[n-]c1=O ZINC000571582335 899915759 /nfs/dbraw/zinc/91/57/59/899915759.db2.gz QVBPYMUWSLIVCH-UHFFFAOYSA-N -2 3 380.539 3.841 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)ccc1C(=O)[O-] ZINC000578394232 903800431 /nfs/dbraw/zinc/80/04/31/903800431.db2.gz HSTPWPCUZBNIOD-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1cc(F)c([O-])c(Cl)c1 ZINC001179955303 909865945 /nfs/dbraw/zinc/86/59/45/909865945.db2.gz RIUONGFWWMOFKK-UHFFFAOYSA-N -2 3 389.770 3.517 20 0 GHADHL O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1cc(F)c([O-])c(Cl)c1 ZINC001179955303 909865958 /nfs/dbraw/zinc/86/59/58/909865958.db2.gz RIUONGFWWMOFKK-UHFFFAOYSA-N -2 3 389.770 3.517 20 0 GHADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccnc(Cl)c2Cl)c1 ZINC001187545353 915343677 /nfs/dbraw/zinc/34/36/77/915343677.db2.gz HSMQIZYRKPBTIQ-UHFFFAOYSA-N -2 3 381.624 3.541 20 0 GHADHL CC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188323526 915887916 /nfs/dbraw/zinc/88/79/16/915887916.db2.gz PQQLWNFSFDCYGM-UHFFFAOYSA-N -2 3 388.228 3.695 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)ccc1[S-] ZINC001191306746 917910069 /nfs/dbraw/zinc/91/00/69/917910069.db2.gz UVYSCTZEBJKSPO-UHFFFAOYSA-N -2 3 388.308 3.856 20 0 GHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2Cl)cc1 ZINC001192113158 918418979 /nfs/dbraw/zinc/41/89/79/918418979.db2.gz JWIRYKABNLYWDB-UHFFFAOYSA-N -2 3 390.848 3.706 20 0 GHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1Cl ZINC000753778178 929532509 /nfs/dbraw/zinc/53/25/09/929532509.db2.gz LKVGQHPDOKBVHX-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL C[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3[O-])c2-c2nnn[n-]2)C1 ZINC001576217277 950755435 /nfs/dbraw/zinc/75/54/35/950755435.db2.gz LPQHMZCQTHXZMS-QMMMGPOBSA-N -2 3 389.868 3.664 20 0 GHADHL C[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3[O-])c2-c2nn[n-]n2)C1 ZINC001576217277 950755446 /nfs/dbraw/zinc/75/54/46/950755446.db2.gz LPQHMZCQTHXZMS-QMMMGPOBSA-N -2 3 389.868 3.664 20 0 GHADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000125210159 958555525 /nfs/dbraw/zinc/55/55/25/958555525.db2.gz BDKYZYXRVROSRQ-UHFFFAOYSA-N -2 3 394.630 3.503 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)ccc1O ZINC001260400416 960723048 /nfs/dbraw/zinc/72/30/48/960723048.db2.gz MDSARJPRXQLFJV-UHFFFAOYSA-N -2 3 375.427 3.620 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ncc4ccccc4c3[O-])c2)n1 ZINC001625885649 1014314835 /nfs/dbraw/zinc/31/48/35/1014314835.db2.gz OONICTPAWSJXJU-UHFFFAOYSA-N -2 3 386.411 3.918 20 0 GHADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CCCC1 ZINC001595599838 981574189 /nfs/dbraw/zinc/57/41/89/981574189.db2.gz CUHLBBKQKBCKII-CQSZACIVSA-N -2 3 377.865 3.815 20 0 GHADHL CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001597258021 987265985 /nfs/dbraw/zinc/26/59/85/987265985.db2.gz FDWQDNBVHHMACN-NWDGAFQWSA-N -2 3 395.905 3.520 20 0 GHADHL CCc1ccc([O-])c(C(=O)N(C)[C@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC001597557153 988294790 /nfs/dbraw/zinc/29/47/90/988294790.db2.gz ZEOSIVDDAWZTDA-INIZCTEOSA-N -2 3 392.249 3.615 20 0 GHADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccc(Cl)c(Cl)c1 ZINC001590766490 990571765 /nfs/dbraw/zinc/57/17/65/990571765.db2.gz VIKUYVOMXOKMGG-UHFFFAOYSA-N -2 3 392.260 3.541 20 0 GHADHL CC(C)CC(C)(C)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001591130891 991823997 /nfs/dbraw/zinc/82/39/97/991823997.db2.gz MQYNTAOSBPCBPJ-UHFFFAOYSA-N -2 3 398.344 3.559 20 0 GHADHL CC(C)Cc1ccc([C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C(C)C)cc1 ZINC001591484871 992613056 /nfs/dbraw/zinc/61/30/56/992613056.db2.gz VRNPWMNEQYTDAI-MRXNPFEDSA-N -2 3 396.534 3.715 20 0 GHADHL COc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)c1[O-] ZINC001599642339 994376934 /nfs/dbraw/zinc/37/69/34/994376934.db2.gz GTVHHCAGLGPGRN-UHFFFAOYSA-N -2 3 393.395 3.930 20 0 GHADHL C[C@H](c1ccccc1)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001593326334 994876586 /nfs/dbraw/zinc/87/65/86/994876586.db2.gz KDFKTHLIKYWXBO-QWRGUYRKSA-N -2 3 385.844 3.648 20 0 GHADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC001599384286 996917156 /nfs/dbraw/zinc/91/71/56/996917156.db2.gz YIGYPMTTYXSFJE-UHFFFAOYSA-N -2 3 399.852 3.635 20 0 GHADHL COc1ccc([C@@H](NC(=O)c2cc3sccc3c([O-])c2)C(=O)[O-])cc1Cl ZINC001599523869 997525958 /nfs/dbraw/zinc/52/59/58/997525958.db2.gz BTFKXIQIWTUFFA-MRXNPFEDSA-N -2 3 391.832 3.825 20 0 GHADHL O=c1nc2nc(Br)[n-]c2c(O[C@@H]2CCc3cc(Cl)ccc32)[n-]1 ZINC001227598131 1032478551 /nfs/dbraw/zinc/47/85/51/1032478551.db2.gz VKIXVUNKMLKKJX-SECBINFHSA-N -2 3 381.617 3.541 20 0 GHADHL O=C1CCc2ccc(-c3noc(-c4cc(Br)c([O-])cc4[O-])n3)cc21 ZINC001215471081 1029226693 /nfs/dbraw/zinc/22/66/93/1029226693.db2.gz PNWTXUOTNWDOSE-UHFFFAOYSA-N -2 3 387.189 3.706 20 0 GHADHL CC(=O)c1ccc(-c2noc(-c3cc([O-])c(Br)c([O-])c3)n2)cc1 ZINC001215473629 1029229058 /nfs/dbraw/zinc/22/90/58/1029229058.db2.gz OGLDIASWTXHISL-UHFFFAOYSA-N -2 3 375.178 3.780 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@H]2CCO[C@H](C)C2)cc1 ZINC001229671737 1033632462 /nfs/dbraw/zinc/63/24/62/1033632462.db2.gz MATHPRDOCBSXBJ-WBMJQRKESA-N -2 3 398.411 3.826 20 0 GHADHL CCC[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)C(=O)OCC ZINC001229771542 1033702683 /nfs/dbraw/zinc/70/26/83/1033702683.db2.gz INJLWUDQESLIFC-INIZCTEOSA-N -2 3 398.411 3.982 20 0 GHADHL O=C(Nc1c([O-])cccc1Cl)c1cccc(I)c1[O-] ZINC001159656653 1034703464 /nfs/dbraw/zinc/70/34/64/1034703464.db2.gz CBQCOHUENVPXAK-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CCCCC1 ZINC001259224317 1045019766 /nfs/dbraw/zinc/01/97/66/1045019766.db2.gz ATUIKJPMYIRTMH-UHFFFAOYSA-N -2 3 377.865 3.815 20 0 GHADHL O=C(Nc1cc(F)cc(F)c1[O-])c1c([O-])cnc2c(Br)cccc21 ZINC001299580768 1045122886 /nfs/dbraw/zinc/12/28/86/1045122886.db2.gz JKLSGPNNHLIFOK-UHFFFAOYSA-N -2 3 395.159 3.939 20 0 GHADHL CC(C)(C)COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228642 1045421135 /nfs/dbraw/zinc/42/11/35/1045421135.db2.gz QDTDBTCAPIWDIF-UHFFFAOYSA-N -2 3 381.425 3.750 20 0 GHADHL Cc1cc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000391018725 1047525118 /nfs/dbraw/zinc/52/51/18/1047525118.db2.gz BADHGWUXPUMBRU-UHFFFAOYSA-N -2 3 395.651 3.849 20 0 GHADHL O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cccc([O-])c1F ZINC001442375396 1058953812 /nfs/dbraw/zinc/95/38/12/1058953812.db2.gz LMFBPRFLYNHEIC-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)cc1F)c1cccc(Cl)c1[O-] ZINC000555528574 452921579 /nfs/dbraw/zinc/92/15/79/452921579.db2.gz HYADNJLCVKSKAS-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c1Cl ZINC000822240031 607255270 /nfs/dbraw/zinc/25/52/70/607255270.db2.gz PETFDPIIHWWAQL-UHFFFAOYSA-N -2 3 398.275 3.591 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccsc2)c2ccc(Cl)cc2)o1 ZINC000740174055 599774874 /nfs/dbraw/zinc/77/48/74/599774874.db2.gz QNOURSGPPRQMIH-OAHLLOKOSA-N -2 3 397.861 3.761 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)ccc1C(=O)[O-] ZINC000066290389 599925787 /nfs/dbraw/zinc/92/57/87/599925787.db2.gz WDXYJEGZUWPVCA-UHFFFAOYSA-N -2 3 391.779 3.749 20 0 GHADHL CC(C)(C)Sc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000736285874 599926711 /nfs/dbraw/zinc/92/67/11/599926711.db2.gz DBJDLBGGPFBKFP-UHFFFAOYSA-N -2 3 381.475 3.782 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Br)c1C ZINC000320687780 599981757 /nfs/dbraw/zinc/98/17/57/599981757.db2.gz MGFKCPWKHPTFIS-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1c([O-])ccc2c(CSc3nc4ccc(C(=O)[O-])cc4o3)cc(=O)oc12 ZINC000738305932 600276687 /nfs/dbraw/zinc/27/66/87/600276687.db2.gz SVKNFZFKDMVZBE-UHFFFAOYSA-N -2 3 383.381 3.939 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)cs1 ZINC000112335534 600679241 /nfs/dbraw/zinc/67/92/41/600679241.db2.gz VDDBBHTZKVQJOV-UHFFFAOYSA-N -2 3 396.671 3.663 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)ccc1C(=O)[O-] ZINC000327786490 600887827 /nfs/dbraw/zinc/88/78/27/600887827.db2.gz ZPVBIZDBIRYYJT-UHFFFAOYSA-N -2 3 383.853 3.935 20 0 GHADHL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000504523537 601046880 /nfs/dbraw/zinc/04/68/80/601046880.db2.gz DQYJKEVXKNISQH-UHFFFAOYSA-N -2 3 377.462 3.638 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)ccc1Cl ZINC000833302686 601836448 /nfs/dbraw/zinc/83/64/48/601836448.db2.gz XZJZEHDOTQFFCO-CYBMUJFWSA-N -2 3 393.770 3.620 20 0 GHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1Cl ZINC000833506564 604744501 /nfs/dbraw/zinc/74/45/01/604744501.db2.gz HFBOFSURIGPDGF-UHFFFAOYSA-N -2 3 387.816 3.765 20 0 GHADHL CC(=O)c1ccc([O-])c(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000824029124 609284755 /nfs/dbraw/zinc/28/47/55/609284755.db2.gz DYIUSDAYGWHNLQ-UHFFFAOYSA-N -2 3 399.410 3.694 20 0 GHADHL CC(=O)c1ccc([O-])c(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000824029124 609284757 /nfs/dbraw/zinc/28/47/57/609284757.db2.gz DYIUSDAYGWHNLQ-UHFFFAOYSA-N -2 3 399.410 3.694 20 0 GHADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547907515 837439517 /nfs/dbraw/zinc/43/95/17/837439517.db2.gz TVEYGNGDPRYPMY-YPMHNXCESA-N -2 3 397.390 3.546 20 0 GHADHL COc1cc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cc(Br)c1[O-] ZINC000172488451 837542833 /nfs/dbraw/zinc/54/28/33/837542833.db2.gz BWMGJTASMOEBSI-SNAWJCMRSA-N -2 3 393.237 3.945 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000579743081 834516850 /nfs/dbraw/zinc/51/68/50/834516850.db2.gz UNMVIWBDIWVQTI-ZDUSSCGKSA-N -2 3 395.502 3.760 20 0 GHADHL COc1c(C)cc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)cc1C ZINC000511279228 834963635 /nfs/dbraw/zinc/96/36/35/834963635.db2.gz HQSKXMFKXJGIIT-UHFFFAOYSA-N -2 3 377.462 3.934 20 0 GHADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cc1F ZINC000467940482 844134066 /nfs/dbraw/zinc/13/40/66/844134066.db2.gz ZGNLLEAAOYSTOP-UHFFFAOYSA-N -2 3 385.388 3.596 20 0 GHADHL COc1cccc(Cc2nnc([N-]C(=O)c3cc(F)c(F)c([O-])c3F)s2)c1 ZINC000186178338 837062401 /nfs/dbraw/zinc/06/24/01/837062401.db2.gz FWXSAHYYJVNCDG-UHFFFAOYSA-N -2 3 395.362 3.513 20 0 GHADHL Cc1cc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C(=O)[O-])ccc1Cl ZINC000548260561 842320470 /nfs/dbraw/zinc/32/04/70/842320470.db2.gz HWGMGVTYNUWMRL-CYBMUJFWSA-N -2 3 392.235 3.545 20 0 GHADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431183806 843834607 /nfs/dbraw/zinc/83/46/07/843834607.db2.gz RSIVZWGHZSYACR-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL Cc1cccc([C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])c1C ZINC000548619044 845867539 /nfs/dbraw/zinc/86/75/39/845867539.db2.gz GWOHGKFDQGYMMZ-LBPRGKRZSA-N -2 3 394.301 3.776 20 0 GHADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000583128296 849132833 /nfs/dbraw/zinc/13/28/33/849132833.db2.gz XXUJTMHTSLGWNH-ZWNOBZJWSA-N -2 3 380.293 3.695 20 0 GHADHL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1)C(=O)[O-] ZINC000504666771 850223428 /nfs/dbraw/zinc/22/34/28/850223428.db2.gz YRLCFBCLWAEGBK-CYBMUJFWSA-N -2 3 391.514 3.931 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1C ZINC000504680164 850233487 /nfs/dbraw/zinc/23/34/87/850233487.db2.gz JAYIJSRBQXREGU-CYBMUJFWSA-N -2 3 395.502 3.678 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000517125631 853411850 /nfs/dbraw/zinc/41/18/50/853411850.db2.gz KUSOVHXVDLCJGG-UHFFFAOYSA-N -2 3 377.462 3.981 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c(C)c1C(=O)[O-] ZINC000442253286 857657067 /nfs/dbraw/zinc/65/70/67/857657067.db2.gz QVXUVIJJFQUUGB-UHFFFAOYSA-N -2 3 375.780 3.734 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(=O)[O-])cs3)cc2)cc1 ZINC000181765214 863005364 /nfs/dbraw/zinc/00/53/64/863005364.db2.gz UUKMDWTYTWFUTO-UHFFFAOYSA-N -2 3 388.470 3.541 20 0 GHADHL O=C(Nc1c([O-])cccc1F)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000605440491 863053531 /nfs/dbraw/zinc/05/35/31/863053531.db2.gz SWGOOOMAQBBZGA-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000509385383 859263461 /nfs/dbraw/zinc/26/34/61/859263461.db2.gz IICKZALPCBXBRR-UHFFFAOYSA-N -2 3 396.468 3.788 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(C)c1C ZINC000673485375 859545467 /nfs/dbraw/zinc/54/54/67/859545467.db2.gz FUHZVSNEHJLADJ-UHFFFAOYSA-N -2 3 377.462 3.736 20 0 GHADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000120320547 881531939 /nfs/dbraw/zinc/53/19/39/881531939.db2.gz HBIVJCNVNOAKDZ-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000793379447 882141702 /nfs/dbraw/zinc/14/17/02/882141702.db2.gz BTIVXCKRNCXVCH-UHFFFAOYSA-N -2 3 393.436 3.560 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1C ZINC000535400706 868694907 /nfs/dbraw/zinc/69/49/07/868694907.db2.gz VSTGDWYQIGWREA-UHFFFAOYSA-N -2 3 377.462 3.520 20 0 GHADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1F ZINC000427320378 882326124 /nfs/dbraw/zinc/32/61/24/882326124.db2.gz LFDFYGARBVCVIV-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL COc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1 ZINC000446621440 870107313 /nfs/dbraw/zinc/10/73/13/870107313.db2.gz AYBBWEOPTKTENL-UHFFFAOYSA-N -2 3 387.454 3.692 20 0 GHADHL Cc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192729617 870620001 /nfs/dbraw/zinc/62/00/01/870620001.db2.gz SXNLSWDQRQDBPT-UHFFFAOYSA-N -2 3 390.244 3.566 20 0 GHADHL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(F)c1 ZINC001194018034 871435064 /nfs/dbraw/zinc/43/50/64/871435064.db2.gz WJPOGFHLGNKLMB-UHFFFAOYSA-N -2 3 393.820 3.839 20 0 GHADHL COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000768047121 873050377 /nfs/dbraw/zinc/05/03/77/873050377.db2.gz NKBNSDRRKKBIGM-UHFFFAOYSA-N -2 3 382.800 3.542 20 0 GHADHL CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC001196489849 873129871 /nfs/dbraw/zinc/12/98/71/873129871.db2.gz DGBUWIOYKVXKSC-UHFFFAOYSA-N -2 3 392.433 3.533 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1C ZINC000541304569 873327477 /nfs/dbraw/zinc/32/74/77/873327477.db2.gz DBZHUXYSYRVQNB-ZDUSSCGKSA-N -2 3 377.462 3.773 20 0 GHADHL CCOCc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000542003870 874711029 /nfs/dbraw/zinc/71/10/29/874711029.db2.gz PZFVEKJQJYGCCY-UHFFFAOYSA-N -2 3 391.489 3.576 20 0 GHADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788751411 878287531 /nfs/dbraw/zinc/28/75/31/878287531.db2.gz YUVHBQAEHVPUOD-UHFFFAOYSA-N -2 3 379.821 3.522 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1OCCC ZINC000538298137 879202239 /nfs/dbraw/zinc/20/22/39/879202239.db2.gz FFXYOSMELYXLCR-UHFFFAOYSA-N -2 3 395.477 3.779 20 0 GHADHL Cc1nc(C=Cc2c(F)cccc2OC(F)(F)F)[n-]c(=O)c1CCC(=O)[O-] ZINC000551348471 883715835 /nfs/dbraw/zinc/71/58/35/883715835.db2.gz KMXPYFWAFFOEFO-FNORWQNLSA-N -2 3 386.301 3.716 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C2CCOCC2)c1 ZINC000863427438 887098803 /nfs/dbraw/zinc/09/88/03/887098803.db2.gz XRUKXSVETPTKKN-UHFFFAOYSA-N -2 3 393.436 3.527 20 0 GHADHL Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]N=c1cnc2ccccc2[n-]1 ZINC000163472020 892017125 /nfs/dbraw/zinc/01/71/25/892017125.db2.gz FEIWVKHCONKLEL-UHFFFAOYSA-N -2 3 378.823 3.534 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2F)ccc1F ZINC001186190164 914351237 /nfs/dbraw/zinc/35/12/37/914351237.db2.gz HBVOTVIDUBULNQ-UHFFFAOYSA-N -2 3 399.268 3.622 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001188722557 916154595 /nfs/dbraw/zinc/15/45/95/916154595.db2.gz RDDDKMPDUMKNTC-UHFFFAOYSA-N -2 3 387.166 3.914 20 0 GHADHL CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001191787581 918220093 /nfs/dbraw/zinc/22/00/93/918220093.db2.gz NAKYKCGKRLLZME-UHFFFAOYSA-N -2 3 395.239 3.741 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)ccc1OC(C)C ZINC000903011175 922708417 /nfs/dbraw/zinc/70/84/17/922708417.db2.gz BZXSASIKXZLLFB-UHFFFAOYSA-N -2 3 377.462 3.600 20 0 GHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1Cl ZINC000753771597 929527685 /nfs/dbraw/zinc/52/76/85/929527685.db2.gz WWDOXPPYVAZTDI-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL Cc1nc(C=Cc2ccccc2OCc2cccnc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000470237868 930477977 /nfs/dbraw/zinc/47/79/77/930477977.db2.gz OPZHSSKIMPEGAQ-NTMALXAHSA-N -2 3 391.427 3.652 20 0 GHADHL CC(C)c1ccc2c(Cl)c(C(=O)[N-]c3ncn(CC(=O)[O-])n3)sc2c1 ZINC000843338643 955645262 /nfs/dbraw/zinc/64/52/62/955645262.db2.gz IUBGQTVAAKJYLM-UHFFFAOYSA-N -2 3 378.841 3.607 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c1Cl ZINC001594363248 958473533 /nfs/dbraw/zinc/47/35/33/958473533.db2.gz PWTXBHQNPGGCHG-NSHDSACASA-N -2 3 382.309 3.717 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)c(F)cc1Cl ZINC001259225463 960693024 /nfs/dbraw/zinc/69/30/24/960693024.db2.gz QNXPZEHNXOKMIS-INIZCTEOSA-N -2 3 397.855 3.997 20 0 GHADHL C[C@](Cc1ccc(Cl)cc1)(NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001592838072 979585013 /nfs/dbraw/zinc/58/50/13/979585013.db2.gz IXUFQRUXVXLUCG-HXUWFJFHSA-N -2 3 393.842 3.710 20 0 GHADHL CC[C@]([N-]C(=O)C(F)(F)c1cccc(OC)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232856 980128367 /nfs/dbraw/zinc/12/83/67/980128367.db2.gz KLWYSSHGNKPGBX-GOSISDBHSA-N -2 3 397.805 3.947 20 0 GHADHL CC[C@H](C)[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)[O-] ZINC001594929032 982545575 /nfs/dbraw/zinc/54/55/75/982545575.db2.gz QBNONWPBRWTLIA-ZANVPECISA-N -2 3 392.868 3.766 20 0 GHADHL COc1ccc([C@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C(=O)[O-])cc1 ZINC001599524841 997540930 /nfs/dbraw/zinc/54/09/30/997540930.db2.gz NBVPDWORYNFUOX-NRFANRHFSA-N -2 3 391.423 3.547 20 0 GHADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@@H]1CCc2ccccc2C1 ZINC001228122072 1032796805 /nfs/dbraw/zinc/79/68/05/1032796805.db2.gz KQSFTTTYOQSUST-GOSISDBHSA-N -2 3 376.408 3.971 20 0 GHADHL O=P([O-])([O-])CCCCO[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC001225018596 1031213565 /nfs/dbraw/zinc/21/35/65/1031213565.db2.gz BRAMJWZUFFBRSU-CYBMUJFWSA-N -2 3 382.224 3.542 20 0 GHADHL COc1ccc2nc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)cc(C)c2c1 ZINC001157156885 1033437345 /nfs/dbraw/zinc/43/73/45/1033437345.db2.gz GWGPIHUUHRZEKT-UHFFFAOYSA-N -2 3 384.372 3.637 20 0 GHADHL CC[C@H](COc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(OC)cc1)OC ZINC001229670342 1033630692 /nfs/dbraw/zinc/63/06/92/1033630692.db2.gz BJKCPKDKUBNLSG-CQSZACIVSA-N -2 3 386.400 3.684 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001229671729 1033630797 /nfs/dbraw/zinc/63/07/97/1033630797.db2.gz MATHPRDOCBSXBJ-BLLLJJGKSA-N -2 3 398.411 3.826 20 0 GHADHL CCOC(=O)C1CC(Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)C1 ZINC001229771633 1033701713 /nfs/dbraw/zinc/70/17/13/1033701713.db2.gz MEYAMLLKVXXKDX-UHFFFAOYSA-N -2 3 396.395 3.592 20 0 GHADHL C[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)c1ncccn1 ZINC001229772072 1033702642 /nfs/dbraw/zinc/70/26/42/1033702642.db2.gz VMCPZSITZOPHNH-LBPRGKRZSA-N -2 3 376.368 3.801 20 0 GHADHL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCN4)cc2)c1 ZINC001237622636 1042289629 /nfs/dbraw/zinc/28/96/29/1042289629.db2.gz WCXVDQUABYTUGF-UHFFFAOYSA-N -2 3 394.452 3.821 20 0 GHADHL O=S(=O)([N-]c1cccc(-n2cccn2)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875564 1045731232 /nfs/dbraw/zinc/73/12/32/1045731232.db2.gz WAZLUAZWTIHBQH-UHFFFAOYSA-N -2 3 384.244 3.686 20 0 GHADHL COc1c(F)cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cc1F ZINC001260876302 1045732536 /nfs/dbraw/zinc/73/25/36/1045732536.db2.gz XCHTZIBZEJZLDZ-UHFFFAOYSA-N -2 3 384.187 3.787 20 0 GHADHL Cc1sc([C@H](C)NCc2cc(Br)cc(F)c2[O-])nc1C(=O)[O-] ZINC000900078932 1047958382 /nfs/dbraw/zinc/95/83/82/1047958382.db2.gz NCZTWGGCZAFGMY-LURJTMIESA-N -2 3 389.246 3.608 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1cccc(C(F)F)c1 ZINC001325173163 1057284519 /nfs/dbraw/zinc/28/45/19/1057284519.db2.gz KNROCXNRXONVAP-UHFFFAOYSA-N -2 3 378.194 3.893 20 0 GHADHL O=C([O-])Nc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1F ZINC000740013404 600101457 /nfs/dbraw/zinc/10/14/57/600101457.db2.gz LWCDAXCEEDDYIC-UHFFFAOYSA-N -2 3 394.302 3.615 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000466271347 600258316 /nfs/dbraw/zinc/25/83/16/600258316.db2.gz UKAKGEZEJSJALM-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC000738396876 600489070 /nfs/dbraw/zinc/48/90/70/600489070.db2.gz NSPLHDLMZWDOQT-UHFFFAOYSA-N -2 3 383.853 3.693 20 0 GHADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000739686954 600489697 /nfs/dbraw/zinc/48/96/97/600489697.db2.gz ICKGDHAXIHGDRQ-UHFFFAOYSA-N -2 3 389.473 3.610 20 0 GHADHL C[C@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000547940959 601128501 /nfs/dbraw/zinc/12/85/01/601128501.db2.gz GDDYLLZDEXXQOC-UFBFGSQYSA-N -2 3 394.301 3.795 20 0 GHADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)c1C(=O)[O-] ZINC000832972939 601250130 /nfs/dbraw/zinc/25/01/30/601250130.db2.gz QUWLMOQUVWTFON-UHFFFAOYSA-N -2 3 397.412 3.630 20 0 GHADHL CCN(c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1)C(C)C ZINC000829740478 601847849 /nfs/dbraw/zinc/84/78/49/601847849.db2.gz LZYNLSVCUHTUIX-UHFFFAOYSA-N -2 3 380.441 3.559 20 0 GHADHL CN(C[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1)C(=O)[O-] ZINC000739638411 603194740 /nfs/dbraw/zinc/19/47/40/603194740.db2.gz OUXBPWSPHWBQNC-OAHLLOKOSA-N -2 3 384.432 3.647 20 0 GHADHL CN(C(=O)c1cc(Cl)c2ccccc2c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000825825913 608762679 /nfs/dbraw/zinc/76/26/79/608762679.db2.gz NSTUSWPIBIZVLP-UHFFFAOYSA-N -2 3 379.807 3.656 20 0 GHADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccs1 ZINC000650238616 837512859 /nfs/dbraw/zinc/51/28/59/837512859.db2.gz OSMYHFKJTRFHOX-JTQLQIEISA-N -2 3 380.274 3.549 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(F)c2)c1Cl ZINC000548238754 842246180 /nfs/dbraw/zinc/24/61/80/842246180.db2.gz NWPBGHTZUDWFLJ-ZDUSSCGKSA-N -2 3 392.235 3.545 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c1ccccc1 ZINC000548537007 845422990 /nfs/dbraw/zinc/42/29/90/845422990.db2.gz FESAZFLOAHSSEI-INIZCTEOSA-N -2 3 391.420 3.765 20 0 GHADHL CCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OCC(C)C ZINC000504711877 850253939 /nfs/dbraw/zinc/25/39/39/850253939.db2.gz LCCDNAOFRGTLPQ-CLFYSBASSA-N -2 3 386.448 3.722 20 0 GHADHL CCc1cc(=O)[n-]c(-c2ccc(N(Cc3ccccc3)C[C@@H](C)C(=O)[O-])nc2)n1 ZINC000910396659 851189596 /nfs/dbraw/zinc/18/95/96/851189596.db2.gz YZXXJVHZRFTAMT-OAHLLOKOSA-N -2 3 392.459 3.534 20 0 GHADHL O=c1[n-]c(-c2ccc([O-])c(I)c2)nc2ccc(Cl)cc12 ZINC000436749177 852289468 /nfs/dbraw/zinc/28/94/68/852289468.db2.gz ISSCJUKIHBJTRU-UHFFFAOYSA-N -2 3 398.587 3.966 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000489754657 852572926 /nfs/dbraw/zinc/57/29/26/852572926.db2.gz PFDWXJOAUCULMX-UHFFFAOYSA-N -2 3 381.425 3.812 20 0 GHADHL O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436998498 852613823 /nfs/dbraw/zinc/61/38/23/852613823.db2.gz HQHOWWZXMVRRHY-KRWDZBQOSA-N -2 3 383.835 3.961 20 0 GHADHL CCCOc1c(Cl)cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000670369947 858298433 /nfs/dbraw/zinc/29/84/33/858298433.db2.gz MHPIXQBSSCMGQG-AATRIKPKSA-N -2 3 378.812 3.892 20 0 GHADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000522394696 859337676 /nfs/dbraw/zinc/33/76/76/859337676.db2.gz DPSBCEVKEIFCAY-UHFFFAOYSA-N -2 3 377.462 3.602 20 0 GHADHL CSCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1 ZINC000609015922 865890832 /nfs/dbraw/zinc/89/08/32/865890832.db2.gz NQSRHGSSQWABSX-UHFFFAOYSA-N -2 3 391.514 3.580 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c(Cl)cc1F ZINC000793323315 882100953 /nfs/dbraw/zinc/10/09/53/882100953.db2.gz VAQONWGNTOZZHS-SECBINFHSA-N -2 3 399.818 3.671 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)sc1Cl ZINC000190253937 882132745 /nfs/dbraw/zinc/13/27/45/882132745.db2.gz UNDOWDOJPBJOBM-UHFFFAOYSA-N -2 3 395.893 3.569 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c(C)c1C(=O)[O-] ZINC000156300962 868317281 /nfs/dbraw/zinc/31/72/81/868317281.db2.gz PYQBSUYDFXZBLA-UHFFFAOYSA-N -2 3 388.470 3.926 20 0 GHADHL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)c2)o1 ZINC000156333715 868328720 /nfs/dbraw/zinc/32/87/20/868328720.db2.gz WSLHLLKUUPGEQB-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1Cl ZINC000447281140 871311527 /nfs/dbraw/zinc/31/15/27/871311527.db2.gz PMAZAAJFHOPQTG-UHFFFAOYSA-N -2 3 395.864 3.872 20 0 GHADHL CCC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000447792339 872306946 /nfs/dbraw/zinc/30/69/46/872306946.db2.gz UNQNQUQJCCOUCL-UHFFFAOYSA-N -2 3 391.489 3.811 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(COc3ccccc3)c2)c1 ZINC000775671796 872675119 /nfs/dbraw/zinc/67/51/19/872675119.db2.gz COYRMBSHPBPMKC-UHFFFAOYSA-N -2 3 385.441 3.781 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1C ZINC000541304568 873327263 /nfs/dbraw/zinc/32/72/63/873327263.db2.gz DBZHUXYSYRVQNB-CYBMUJFWSA-N -2 3 377.462 3.773 20 0 GHADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)sc1Cl ZINC000530383386 877652589 /nfs/dbraw/zinc/65/25/89/877652589.db2.gz UQBVJFBVGZSNCC-NSHDSACASA-N -2 3 398.264 3.607 20 0 GHADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC(F)(F)C(=O)[O-])cc2)CC)n1 ZINC000789828620 879289682 /nfs/dbraw/zinc/28/96/82/879289682.db2.gz AGOXQGPGJZCDJM-RAXLEYEMSA-N -2 3 378.375 3.729 20 0 GHADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000321874503 884205296 /nfs/dbraw/zinc/20/52/96/884205296.db2.gz BALOMXIQKNFTTP-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1C ZINC000533115637 885229057 /nfs/dbraw/zinc/22/90/57/885229057.db2.gz SWVZUWCYNCWZHQ-UHFFFAOYSA-N -2 3 380.441 3.762 20 0 GHADHL CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000814194536 892372322 /nfs/dbraw/zinc/37/23/22/892372322.db2.gz JWJCJOKEDGPZAX-UHFFFAOYSA-N -2 3 398.344 3.559 20 0 GHADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1Cl ZINC000325807377 895220091 /nfs/dbraw/zinc/22/00/91/895220091.db2.gz PAFGVPLYEPPCNB-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)cc1 ZINC000578464658 903867468 /nfs/dbraw/zinc/86/74/68/903867468.db2.gz CMNUXSOQGYSGQY-PLNGDYQASA-N -2 3 375.446 3.601 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1cc(F)c(F)cc1Br ZINC001186721961 914778155 /nfs/dbraw/zinc/77/81/55/914778155.db2.gz QJVXTWGDBOGTJV-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL COC(=O)c1cc(Br)c([O-])c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672533 908202047 /nfs/dbraw/zinc/20/20/47/908202047.db2.gz ZULVVTHELBIBNF-UHFFFAOYSA-N -2 3 392.127 3.808 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cccc3)cc2)ccc1Cl ZINC001188272594 915866077 /nfs/dbraw/zinc/86/60/77/915866077.db2.gz HITWXDJJNAXJCK-UHFFFAOYSA-N -2 3 376.821 3.630 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2F)ccc1Cl ZINC001188312021 915879176 /nfs/dbraw/zinc/87/91/76/915879176.db2.gz HPQQEORSGREWPZ-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(Cl)cc1Br ZINC000410381010 925593487 /nfs/dbraw/zinc/59/34/87/925593487.db2.gz KSLWVAAGDFOYKX-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1 ZINC000543867548 928513865 /nfs/dbraw/zinc/51/38/65/928513865.db2.gz XNXRJHJGOGILOU-UHFFFAOYSA-N -2 3 391.489 3.829 20 0 GHADHL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000759655472 930441240 /nfs/dbraw/zinc/44/12/40/930441240.db2.gz NBVWJIKFHUJANO-UHFFFAOYSA-N -2 3 390.848 3.823 20 0 GHADHL Cc1nc(C=Cc2ccccc2OCc2ccccc2)[n-]c(=O)c1CC(=O)[O-] ZINC000470236977 930476304 /nfs/dbraw/zinc/47/63/04/930476304.db2.gz MOPBPOAMTTZZCH-QXMHVHEDSA-N -2 3 376.412 3.867 20 0 GHADHL Cc1nc(C=Cc2ccc(OCc3ccccc3)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000470267934 930500214 /nfs/dbraw/zinc/50/02/14/930500214.db2.gz UMIASQYBFPHCFB-FMIVXFBMSA-N -2 3 376.412 3.867 20 0 GHADHL Cc1cc(C)cc([C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])c1 ZINC000547588774 931136983 /nfs/dbraw/zinc/13/69/83/931136983.db2.gz JYWAKKHYEKZUKN-LBPRGKRZSA-N -2 3 394.301 3.776 20 0 GHADHL CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000559251591 932554425 /nfs/dbraw/zinc/55/44/25/932554425.db2.gz XTUMRZBNSVHXJG-UHFFFAOYSA-N -2 3 382.869 3.831 20 0 GHADHL Cc1ccc(/C=C\S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC000799125190 932883299 /nfs/dbraw/zinc/88/32/99/932883299.db2.gz IRVXOYMNOLTILX-QXMHVHEDSA-N -2 3 375.446 3.893 20 0 GHADHL CC1(C)CC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC(C)(C)C1 ZINC000327066520 971362411 /nfs/dbraw/zinc/36/24/11/971362411.db2.gz PUEFDONUFQBPKA-UHFFFAOYSA-N -2 3 375.437 3.546 20 0 GHADHL CC(C)c1ccc([C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C(C)C)cc1 ZINC001591948484 976499037 /nfs/dbraw/zinc/49/90/37/976499037.db2.gz GKXWQVYZCYQTME-OAHLLOKOSA-N -2 3 382.507 3.640 20 0 GHADHL CCCCc1nc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c(C(=O)OCC)[n-]1 ZINC001595799440 982613092 /nfs/dbraw/zinc/61/30/92/982613092.db2.gz QJYLIHFATONGDM-UHFFFAOYSA-N -2 3 393.827 3.533 20 0 GHADHL CCc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccc(Br)s2)c([O-])c1 ZINC001597498848 988049586 /nfs/dbraw/zinc/04/95/86/988049586.db2.gz PQVOJXPXTRGBKW-AWEZNQCLSA-N -2 3 398.278 3.677 20 0 GHADHL CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC001597500871 988060944 /nfs/dbraw/zinc/06/09/44/988060944.db2.gz ZDWSBSLEBURNIS-HNNXBMFYSA-N -2 3 381.350 3.919 20 0 GHADHL CC(C)(C)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)o1 ZINC001590487208 990086221 /nfs/dbraw/zinc/08/62/21/990086221.db2.gz HIHYJQJIKSBBAC-UHFFFAOYSA-N -2 3 389.832 3.546 20 0 GHADHL CC(C)(C)c1nc2cc([N-]S(=O)(=O)CC3(C(=O)[O-])CCCC3)ccc2o1 ZINC001590545515 990182424 /nfs/dbraw/zinc/18/24/24/990182424.db2.gz HOGJYPDFZHHWIT-UHFFFAOYSA-N -2 3 380.466 3.512 20 0 GHADHL COc1cccc([C@](C)(CC(=O)[O-])[N-]C(=O)C(F)(F)c2c(F)cccc2F)c1 ZINC001599648758 994462909 /nfs/dbraw/zinc/46/29/09/994462909.db2.gz DHKNJNUBLRKGOA-SFHVURJKSA-N -2 3 399.340 3.572 20 0 GHADHL COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC001599653812 994546540 /nfs/dbraw/zinc/54/65/40/994546540.db2.gz ONMRTPXVFGCXRX-HXUWFJFHSA-N -2 3 385.441 3.735 20 0 GHADHL O=c1nc2nc(Br)[n-]c2c(O[C@@H]2Cc3cccc4cccc2c34)[n-]1 ZINC001227593251 1032477957 /nfs/dbraw/zinc/47/79/57/1032477957.db2.gz DEDAIYAKAYXJSH-LLVKDONJSA-N -2 3 383.205 3.650 20 0 GHADHL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000755980219 1023463096 /nfs/dbraw/zinc/46/30/96/1023463096.db2.gz VPYPTIQBXJDKNB-KHPPLWFESA-N -2 3 395.864 3.778 20 0 GHADHL C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1)CC(F)(F)F ZINC000840899100 1027932731 /nfs/dbraw/zinc/93/27/31/1027932731.db2.gz NPCQVNGLXXAAFB-ZCFIWIBFSA-N -2 3 394.198 3.558 20 0 GHADHL CN(C)c1cccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1 ZINC001215471067 1029226954 /nfs/dbraw/zinc/22/69/54/1029226954.db2.gz OSEYAGRVIFVDQF-UHFFFAOYSA-N -2 3 376.210 3.643 20 0 GHADHL O=C([N-][C@H](c1nn[n-]n1)c1ccccc1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001149501203 1030196409 /nfs/dbraw/zinc/19/64/09/1030196409.db2.gz SVCZLMVSEOPTAZ-ZDUSSCGKSA-N -2 3 398.200 3.504 20 0 GHADHL O=C([N-][C@H](c1nnn[n-]1)c1ccccc1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001149501203 1030196424 /nfs/dbraw/zinc/19/64/24/1030196424.db2.gz SVCZLMVSEOPTAZ-ZDUSSCGKSA-N -2 3 398.200 3.504 20 0 GHADHL COc1ccc(C(OCCCCP(=O)([O-])[O-])c2ccc(OC)cc2)cc1 ZINC001225019094 1031213812 /nfs/dbraw/zinc/21/38/12/1031213812.db2.gz QXGPCQABKVGNDR-UHFFFAOYSA-N -2 3 380.377 3.768 20 0 GHADHL C[C@H]1C[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)CCO1 ZINC001225629510 1031518348 /nfs/dbraw/zinc/51/83/48/1031518348.db2.gz XKWWOYPASBZBKK-XHDPSFHLSA-N -2 3 384.384 3.523 20 0 GHADHL CCO[C@H](C)COc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(OC)cc1 ZINC001229672697 1033631907 /nfs/dbraw/zinc/63/19/07/1033631907.db2.gz ULKAGJHOXMHQKA-GFCCVEGCSA-N -2 3 386.400 3.684 20 0 GHADHL C[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)c1cnccn1 ZINC001229773056 1033701605 /nfs/dbraw/zinc/70/16/05/1033701605.db2.gz HIVOTOHGMXPDFD-LBPRGKRZSA-N -2 3 376.368 3.801 20 0 GHADHL O=c1c(O[C@H]2CCn3ccnc32)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001229771539 1033702166 /nfs/dbraw/zinc/70/21/66/1033702166.db2.gz IIXDMTRHALSMBX-HNNXBMFYSA-N -2 3 376.368 3.592 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccc(OC(F)(F)F)cc1 ZINC001255716018 1041242321 /nfs/dbraw/zinc/24/23/21/1041242321.db2.gz YQLIDHBAFGPPNU-UHFFFAOYSA-N -2 3 390.364 3.701 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3ccc(S(=O)(=O)[O-])cc3c2)c(C)c1 ZINC001259101144 1044961956 /nfs/dbraw/zinc/96/19/56/1044961956.db2.gz RCZQBICEUJLOIQ-UHFFFAOYSA-N -2 3 391.470 3.504 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1ccc(F)c2ncccc12 ZINC001343529966 1053844886 /nfs/dbraw/zinc/84/48/86/1053844886.db2.gz UWCBBNLYURCATD-UHFFFAOYSA-N -2 3 397.225 3.643 20 0 GHADHL Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000450999875 450603043 /nfs/dbraw/zinc/60/30/43/450603043.db2.gz MFLSXPMUTHFLDW-UHFFFAOYSA-N -2 3 398.937 3.708 20 0 GHADHL COc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000737878500 601112165 /nfs/dbraw/zinc/11/21/65/601112165.db2.gz KUDXGWKLGUQBCS-UITAMQMPSA-N -2 3 378.384 3.638 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC000392227893 601325639 /nfs/dbraw/zinc/32/56/39/601325639.db2.gz FOEDSUAHHPBHHN-UHFFFAOYSA-N -2 3 387.816 3.767 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)ccc1OC(C)C ZINC000832899954 601332822 /nfs/dbraw/zinc/33/28/22/601332822.db2.gz WFRJYPSMAZPFCB-IZZDOVSWSA-N -2 3 375.446 3.681 20 0 GHADHL O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000740520857 601930508 /nfs/dbraw/zinc/93/05/08/601930508.db2.gz XLSVEXIVOHYOIY-CABCVRRESA-N -2 3 396.447 3.579 20 0 GHADHL CCOc1cc(-c2nc3ccc(C(=O)[O-])cc3n2C)cc(Br)c1[O-] ZINC000833661167 605320774 /nfs/dbraw/zinc/32/07/74/605320774.db2.gz LJGAJXRSRBCKQC-UHFFFAOYSA-N -2 3 391.221 3.805 20 0 GHADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1csc2ccc(Cl)cc21 ZINC000486759635 606203063 /nfs/dbraw/zinc/20/30/63/606203063.db2.gz NXDHSOVMCIRFKP-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL O=C([O-])c1c2c(nc3ccccc31)C(=Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000823387832 606388040 /nfs/dbraw/zinc/38/80/40/606388040.db2.gz ZRPBOVRSUPSBEO-KTKRTIGZSA-N -2 3 375.413 3.661 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1Cl ZINC000432694876 843515039 /nfs/dbraw/zinc/51/50/39/843515039.db2.gz XTEKTYFRFWVJAM-LBPRGKRZSA-N -2 3 397.880 3.721 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2C)cc1C(=O)[O-] ZINC000471955302 843826036 /nfs/dbraw/zinc/82/60/36/843826036.db2.gz PCRGTHIBBLESNR-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1OC(F)F ZINC000512720698 845178203 /nfs/dbraw/zinc/17/82/03/845178203.db2.gz ODHXWFZZYRPUCD-UHFFFAOYSA-N -2 3 385.388 3.712 20 0 GHADHL O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000436552396 852040645 /nfs/dbraw/zinc/04/06/45/852040645.db2.gz CCZVMAHUEXQMDK-UHFFFAOYSA-N -2 3 399.834 3.821 20 0 GHADHL CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)ccc2[nH]1 ZINC000489607195 852483561 /nfs/dbraw/zinc/48/35/61/852483561.db2.gz FQPAZMQWPHPGDX-UHFFFAOYSA-N -2 3 391.424 3.544 20 0 GHADHL O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436998499 852614029 /nfs/dbraw/zinc/61/40/29/852614029.db2.gz HQHOWWZXMVRRHY-QGZVFWFLSA-N -2 3 383.835 3.961 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC000518084170 852838421 /nfs/dbraw/zinc/83/84/21/852838421.db2.gz HOSMSXBXAIKZQA-UHFFFAOYSA-N -2 3 377.462 3.981 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1C(=O)[O-] ZINC000440835090 853666860 /nfs/dbraw/zinc/66/68/60/853666860.db2.gz TZUYYNUTGNRKSX-UHFFFAOYSA-N -2 3 398.440 3.935 20 0 GHADHL Cc1cc(C(=O)N=c2[n-]nc(SCc3ccc(F)cc3)s2)ccc1[O-] ZINC000542785796 855804798 /nfs/dbraw/zinc/80/47/98/855804798.db2.gz KUCYTDABMRQAJO-UHFFFAOYSA-N -2 3 375.450 3.658 20 0 GHADHL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000320710949 856328684 /nfs/dbraw/zinc/32/86/84/856328684.db2.gz PRKVNTIWPDEKSZ-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cc(Br)ccc1[O-] ZINC000507885187 856626181 /nfs/dbraw/zinc/62/61/81/856626181.db2.gz CRUDXUVCCNFFRH-UHFFFAOYSA-N -2 3 390.686 3.793 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(OC(C)(C)C)c(F)c2)c1 ZINC000542982124 857420677 /nfs/dbraw/zinc/42/06/77/857420677.db2.gz HPPDLWFKIQNJAS-UHFFFAOYSA-N -2 3 387.404 3.657 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)c(C)c1C ZINC000574572291 858090242 /nfs/dbraw/zinc/09/02/42/858090242.db2.gz NAZPOAIMSSSRCE-UHFFFAOYSA-N -2 3 381.425 3.567 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1c(Cl)cccc1Br ZINC000509391809 859281771 /nfs/dbraw/zinc/28/17/71/859281771.db2.gz LUCCJQHUCVQXSO-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1Br ZINC000484807027 860369859 /nfs/dbraw/zinc/36/98/59/860369859.db2.gz CLPHGRVKEIZYKP-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000607615902 864561070 /nfs/dbraw/zinc/56/10/70/864561070.db2.gz ZYKYHAFYTHPEAE-UHFFFAOYSA-N -2 3 387.379 3.907 20 0 GHADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(Cl)ccc3F)c1)CCCC2 ZINC000614761595 866173851 /nfs/dbraw/zinc/17/38/51/866173851.db2.gz YBWRVLKEAVQERQ-UHFFFAOYSA-N -2 3 383.828 3.857 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c(Cl)cc1F ZINC000793323318 882101077 /nfs/dbraw/zinc/10/10/77/882101077.db2.gz VAQONWGNTOZZHS-VIFPVBQESA-N -2 3 399.818 3.671 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C)c3c2)cc1C(=O)[O-] ZINC000479567737 868081319 /nfs/dbraw/zinc/08/13/19/868081319.db2.gz QSAZTHLKHKNBOJ-UHFFFAOYSA-N -2 3 389.429 3.947 20 0 GHADHL Cc1ccc([O-])c(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000538741484 870507619 /nfs/dbraw/zinc/50/76/19/870507619.db2.gz GGOWTDLVFKEZAY-UHFFFAOYSA-N -2 3 382.441 3.754 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1Oc1ccncc1 ZINC000447275582 871343492 /nfs/dbraw/zinc/34/34/92/871343492.db2.gz VSHOMEPRWDNTCX-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL O=c1[n-]c(-c2ccc(I)c([O-])c2)nc2cc(Cl)ccc12 ZINC000540631038 871772565 /nfs/dbraw/zinc/77/25/65/871772565.db2.gz KTWIMLPTHMTHFD-UHFFFAOYSA-N -2 3 398.587 3.966 20 0 GHADHL O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc([O-])c(F)c1 ZINC000767294718 872382784 /nfs/dbraw/zinc/38/27/84/872382784.db2.gz AYZYERQJFCQZBE-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL O=S(=O)([O-])c1cc([O-])c(NC(=S)Nc2ccc(F)cc2)c2ccccc21 ZINC001196942179 873490830 /nfs/dbraw/zinc/49/08/30/873490830.db2.gz SNZBCJZPEBEYRF-UHFFFAOYSA-N -2 3 392.433 3.740 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000328112631 884590378 /nfs/dbraw/zinc/59/03/78/884590378.db2.gz ZAOYVCWNILDJLI-UHFFFAOYSA-N -2 3 395.742 3.738 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)ccc1F ZINC000808126711 886002968 /nfs/dbraw/zinc/00/29/68/886002968.db2.gz VZHZUXIQDYNMPK-UHFFFAOYSA-N -2 3 388.376 3.512 20 0 GHADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1F ZINC000514645124 886113860 /nfs/dbraw/zinc/11/38/60/886113860.db2.gz HKLLESJNVGTPCC-UHFFFAOYSA-N -2 3 383.400 3.896 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C)cc1C(=O)[O-] ZINC001184697359 913365772 /nfs/dbraw/zinc/36/57/72/913365772.db2.gz QNJRIEPWFBGZNZ-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c(C)c1 ZINC000614867833 890772546 /nfs/dbraw/zinc/77/25/46/890772546.db2.gz YGKHWBHMFGVRHH-UHFFFAOYSA-N -2 3 389.473 3.772 20 0 GHADHL CC1(C)CCc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)ccc2O1 ZINC001188323981 915887874 /nfs/dbraw/zinc/88/78/74/915887874.db2.gz XUDBKHJMPIKXIQ-UHFFFAOYSA-N -2 3 395.864 3.943 20 0 GHADHL CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192142324 918476889 /nfs/dbraw/zinc/47/68/89/918476889.db2.gz LTLQRZIJXNATCE-UHFFFAOYSA-N -2 3 375.490 3.938 20 0 GHADHL Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)c2)n1 ZINC000410054393 925280697 /nfs/dbraw/zinc/28/06/97/925280697.db2.gz KEUKUKJAALSJDR-UHFFFAOYSA-N -2 3 392.433 3.757 20 0 GHADHL O=C(NCc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1)c1ccc([O-])c(F)c1 ZINC000681037511 925701939 /nfs/dbraw/zinc/70/19/39/925701939.db2.gz FMFSCJKQOYPHNR-UHFFFAOYSA-N -2 3 398.365 3.558 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1cccc2ncccc21 ZINC001116742825 933731212 /nfs/dbraw/zinc/73/12/12/933731212.db2.gz JVLBGHRMLPRWJA-UHFFFAOYSA-N -2 3 379.235 3.504 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1Cl ZINC000562409068 934854287 /nfs/dbraw/zinc/85/42/87/934854287.db2.gz NRAFWZTVENUCQO-UHFFFAOYSA-N -2 3 383.853 3.773 20 0 GHADHL CC(C)c1ccc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c([O-])c1 ZINC001591941938 976463842 /nfs/dbraw/zinc/46/38/42/976463842.db2.gz KSIYGJZAVQHNPU-HXUWFJFHSA-N -2 3 375.852 3.985 20 0 GHADHL O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1c(F)ccc([O-])c1F ZINC001154423182 1032094290 /nfs/dbraw/zinc/09/42/90/1032094290.db2.gz IFNZAZPRJFSHHX-UHFFFAOYSA-N -2 3 390.386 3.691 20 0 GHADHL CC(C)c1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001592839503 979597900 /nfs/dbraw/zinc/59/79/00/979597900.db2.gz WJDLAGBBJUTLDG-GFCCVEGCSA-N -2 3 397.443 3.696 20 0 GHADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CCC1 ZINC001595642287 981972142 /nfs/dbraw/zinc/97/21/42/981972142.db2.gz MVWACEUZCIRQMH-ZDUSSCGKSA-N -2 3 377.865 3.815 20 0 GHADHL CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC001589599364 987421781 /nfs/dbraw/zinc/42/17/81/987421781.db2.gz UZWCGRLSGSOUCJ-OAHLLOKOSA-N -2 3 392.249 3.737 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)cc(C(=O)[O-])c3)c2)n1 ZINC001597421380 987739816 /nfs/dbraw/zinc/73/98/16/987739816.db2.gz MYNBIYODRQREAQ-UHFFFAOYSA-N -2 3 381.363 3.501 20 0 GHADHL COc1cc(C)cc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1 ZINC001215470781 1029224099 /nfs/dbraw/zinc/22/40/99/1029224099.db2.gz DMQKTZWBVBYBRD-UHFFFAOYSA-N -2 3 377.194 3.894 20 0 GHADHL COc1ncc(Cl)cc1-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215473095 1029228495 /nfs/dbraw/zinc/22/84/95/1029228495.db2.gz AKOHDOFVWWVEDK-UHFFFAOYSA-N -2 3 398.600 3.634 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OCC[C@@H](C)OC)cc1 ZINC001229671746 1033631726 /nfs/dbraw/zinc/63/17/26/1033631726.db2.gz MFJPTIYYBYNDCT-GFCCVEGCSA-N -2 3 386.400 3.684 20 0 GHADHL COC(C[C@@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)OC ZINC001229774128 1033703373 /nfs/dbraw/zinc/70/33/73/1033703373.db2.gz OVSZJWVYCPGXAO-GFCCVEGCSA-N -2 3 386.400 3.648 20 0 GHADHL CC[C@@H](CC(=O)OC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001229774505 1033703750 /nfs/dbraw/zinc/70/37/50/1033703750.db2.gz QTQCASPNRQOOSQ-AWEZNQCLSA-N -2 3 384.384 3.592 20 0 GHADHL COc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC2CC=CC2)ccc1O ZINC001229790455 1033716449 /nfs/dbraw/zinc/71/64/49/1033716449.db2.gz JNNFXVNXSKACFE-UHFFFAOYSA-N -2 3 382.368 3.683 20 0 GHADHL O=S(=O)([N-]c1cccc(F)c1)c1cccnc1-c1c(F)ccc([O-])c1F ZINC001241291057 1035549814 /nfs/dbraw/zinc/54/98/14/1035549814.db2.gz YWEXKUCVZSWHGN-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)[n-]1 ZINC001260313933 1045455367 /nfs/dbraw/zinc/45/53/67/1045455367.db2.gz AEFZDHLYOVORCL-UHFFFAOYSA-N -2 3 384.244 3.686 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2ccc(Br)cc2C)ccc1[S-] ZINC001260462401 1045503127 /nfs/dbraw/zinc/50/31/27/1045503127.db2.gz MQIDMCMPMHSOTQ-UHFFFAOYSA-N -2 3 388.308 3.856 20 0 GHADHL CC[C@H](C)S(=O)(=O)[N-]c1c([O-])c(C(C)=O)ccc1OCc1ccccc1 ZINC001260744435 1045636017 /nfs/dbraw/zinc/63/60/17/1045636017.db2.gz XUYHTMTYPVDRHL-ZDUSSCGKSA-N -2 3 377.462 3.714 20 0 GHADHL O=S(=O)([N-]c1ccc(-c2ccncn2)cc1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875966 1045730762 /nfs/dbraw/zinc/73/07/62/1045730762.db2.gz ILJGFHSEVRIVPX-UHFFFAOYSA-N -2 3 396.255 3.957 20 0 GHADHL O=S(=O)([N-]c1cccc(-c2nnco2)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875381 1045731120 /nfs/dbraw/zinc/73/11/20/1045731120.db2.gz QPYHQRCFJOZJAX-UHFFFAOYSA-N -2 3 386.216 3.550 20 0 GHADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-n2cccc2)ccc1F ZINC001318212667 1054503547 /nfs/dbraw/zinc/50/35/47/1054503547.db2.gz ZWQUYJGLXJYHCN-UHFFFAOYSA-N -2 3 392.383 3.563 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1ccc(C(F)F)cc1 ZINC001324065596 1057064052 /nfs/dbraw/zinc/06/40/52/1057064052.db2.gz QSQNWZFTLQKODR-UHFFFAOYSA-N -2 3 378.194 3.893 20 0 GHADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000393014311 599907622 /nfs/dbraw/zinc/90/76/22/599907622.db2.gz AJMZUJKZFTVKPX-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL CC[C@@](NCc1nc2c3ccccc3oc2c(=O)[n-]1)(C(=O)[O-])c1ccccc1 ZINC000736919992 600130538 /nfs/dbraw/zinc/13/05/38/600130538.db2.gz FWPAQGAEVJZUNV-NRFANRHFSA-N -2 3 377.400 3.561 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c(C)c1 ZINC000738357059 600489036 /nfs/dbraw/zinc/48/90/36/600489036.db2.gz DXFWPVUCGVVIBU-UHFFFAOYSA-N -2 3 377.462 3.656 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)ccc1OC(C)C ZINC000832899956 601333417 /nfs/dbraw/zinc/33/34/17/601333417.db2.gz WFRJYPSMAZPFCB-WDZFZDKYSA-N -2 3 375.446 3.681 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000466287803 601617665 /nfs/dbraw/zinc/61/76/65/601617665.db2.gz LDHVPZQCKLBJLX-UHFFFAOYSA-N -2 3 387.379 3.989 20 0 GHADHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000829381431 601847782 /nfs/dbraw/zinc/84/77/82/601847782.db2.gz UDNLPXDBEHALKA-UHFFFAOYSA-N -2 3 380.441 3.561 20 0 GHADHL O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000740520859 601929805 /nfs/dbraw/zinc/92/98/05/601929805.db2.gz XLSVEXIVOHYOIY-HUUCEWRRSA-N -2 3 396.447 3.579 20 0 GHADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000498014137 605118026 /nfs/dbraw/zinc/11/80/26/605118026.db2.gz BOPTWCOCTXETMU-UHFFFAOYSA-N -2 3 386.832 3.798 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)cc1C ZINC000511277521 834953288 /nfs/dbraw/zinc/95/32/88/834953288.db2.gz AVHXMUDHZRVKFL-UHFFFAOYSA-N -2 3 377.462 3.934 20 0 GHADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCCC(=O)[O-])c(OC)c2)CC)n1 ZINC000279495208 843082271 /nfs/dbraw/zinc/08/22/71/843082271.db2.gz OZWPXRNAPAFBFD-RVDMUPIBSA-N -2 3 386.448 3.947 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1C(=O)[O-] ZINC000499496119 856959562 /nfs/dbraw/zinc/95/95/62/856959562.db2.gz SEZNBCNWRTVEIA-UHFFFAOYSA-N -2 3 379.409 3.601 20 0 GHADHL Cc1ccc(-c2cc(C(=O)N=c3[n-]nc(-c4ccc(C)cc4C)s3)n[n-]2)o1 ZINC000521293255 857834023 /nfs/dbraw/zinc/83/40/23/857834023.db2.gz VWDULVVGWQXVOT-UHFFFAOYSA-N -2 3 379.445 3.788 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)c(C)c1 ZINC000738069922 858819657 /nfs/dbraw/zinc/81/96/57/858819657.db2.gz QHOPVHBXPZCSEB-UHFFFAOYSA-N -2 3 395.502 3.512 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(CCC(F)(F)F)c1 ZINC000466283304 858975403 /nfs/dbraw/zinc/97/54/03/858975403.db2.gz OPHLVIPGEORVON-UHFFFAOYSA-N -2 3 387.379 3.989 20 0 GHADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CSCCC(=O)[O-])c1 ZINC000738402639 859234294 /nfs/dbraw/zinc/23/42/94/859234294.db2.gz YWTJTLAANREGGR-UHFFFAOYSA-N -2 3 383.466 3.643 20 0 GHADHL O=C(CCCCCC(=O)Nc1c([O-])cccc1F)Nc1c([O-])cccc1F ZINC000608366288 865263216 /nfs/dbraw/zinc/26/32/16/865263216.db2.gz IARPHETVSDZJSL-UHFFFAOYSA-N -2 3 378.375 3.904 20 0 GHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1C(=O)[O-] ZINC000534148476 866221295 /nfs/dbraw/zinc/22/12/95/866221295.db2.gz VRLMGEOHJWPMGE-UHFFFAOYSA-N -2 3 391.424 3.564 20 0 GHADHL O=C(N=c1[n-]nc(-c2c(F)cccc2Cl)s1)c1cc(-c2ccco2)[n-]n1 ZINC000478764648 866599183 /nfs/dbraw/zinc/59/91/83/866599183.db2.gz LVWWEMMSEOSSSM-UHFFFAOYSA-N -2 3 389.799 3.655 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)c1 ZINC000540496755 871424780 /nfs/dbraw/zinc/42/47/80/871424780.db2.gz GQFXBQQSTPVVSJ-UHFFFAOYSA-N -2 3 385.441 3.781 20 0 GHADHL Cc1c(F)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1F ZINC001194011458 871431688 /nfs/dbraw/zinc/43/16/88/871431688.db2.gz DDKRSIDXLGEXRD-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL Cc1cc([O-])c([N-]S(=O)(=O)Cc2noc3ccccc23)cc1Br ZINC001194100034 871505799 /nfs/dbraw/zinc/50/57/99/871505799.db2.gz ZGQMGTSIQBQEEP-UHFFFAOYSA-N -2 3 397.250 3.546 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2COCc2ccccc2)c1 ZINC000539400344 871898656 /nfs/dbraw/zinc/89/86/56/871898656.db2.gz HVOVGHCJCWSWPC-UHFFFAOYSA-N -2 3 399.468 3.918 20 0 GHADHL Cc1cc(OCc2ccccc2)c(C(=O)NCCCCP(=O)([O-])[O-])cc1C ZINC001197260927 873681241 /nfs/dbraw/zinc/68/12/41/873681241.db2.gz IMUVXHKHERTFAV-UHFFFAOYSA-N -2 3 391.404 3.570 20 0 GHADHL Cc1ccc(NC(=S)Nc2c([O-])cc(S(=O)(=O)[O-])c3ccccc32)cc1 ZINC001197928504 874115933 /nfs/dbraw/zinc/11/59/33/874115933.db2.gz ZVKJWCYOAYNANC-UHFFFAOYSA-N -2 3 388.470 3.909 20 0 GHADHL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000790611987 879886595 /nfs/dbraw/zinc/88/65/95/879886595.db2.gz JWMAYWOWUPIHEI-UHFFFAOYSA-N -2 3 379.821 3.522 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC3CCCC3)cc2)ccc1F ZINC001186183869 914347246 /nfs/dbraw/zinc/34/72/46/914347246.db2.gz MHDVMEQEAJRSNP-UHFFFAOYSA-N -2 3 393.436 3.894 20 0 GHADHL O=S(=O)(C=Cc1ccccc1Cl)[N-]c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826484120 900956999 /nfs/dbraw/zinc/95/69/99/900956999.db2.gz OHSZMUAMAKTEDJ-BQYQJAHWSA-N -2 3 396.259 3.586 20 0 GHADHL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000681571433 925852948 /nfs/dbraw/zinc/85/29/48/925852948.db2.gz CBTAEBMXBNRROV-UHFFFAOYSA-N -2 3 376.821 3.696 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1C(=O)[O-] ZINC000373522185 926215453 /nfs/dbraw/zinc/21/54/53/926215453.db2.gz QMEZQKWUNWSGJQ-UHFFFAOYSA-N -2 3 398.440 3.565 20 0 GHADHL CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000544645625 929383630 /nfs/dbraw/zinc/38/36/30/929383630.db2.gz QOVXNSTWWQZKOD-UHFFFAOYSA-N -2 3 379.478 3.907 20 0 GHADHL Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259225472 960693672 /nfs/dbraw/zinc/69/36/72/960693672.db2.gz RDTZUYQSRMCHBN-UHFFFAOYSA-N -2 3 399.871 3.785 20 0 GHADHL CCCCOc1ccc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)c([O-])c1 ZINC001595776908 982545747 /nfs/dbraw/zinc/54/57/47/982545747.db2.gz MMSPAWXHHXLWIG-CQSZACIVSA-N -2 3 387.432 3.526 20 0 GHADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)F)ccc1Cl ZINC001597785476 989302492 /nfs/dbraw/zinc/30/24/92/989302492.db2.gz GHINVROVQRWLRG-UHFFFAOYSA-N -2 3 379.768 3.932 20 0 GHADHL CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@@H](c2ccccc2)C1 ZINC001593882351 996713224 /nfs/dbraw/zinc/71/32/24/996713224.db2.gz SFQWWPHOAJXZQT-HUUCEWRRSA-N -2 3 377.462 3.619 20 0 GHADHL CCC[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1ccc(OC)cc1 ZINC001227598718 1032478627 /nfs/dbraw/zinc/47/86/27/1032478627.db2.gz ZZDDMVSTEXCFPE-LLVKDONJSA-N -2 3 393.241 3.750 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c(C)c1C(=O)[O-] ZINC000156275569 1019645466 /nfs/dbraw/zinc/64/54/66/1019645466.db2.gz DEOIQAAIHJARLG-UHFFFAOYSA-N -2 3 389.260 3.691 20 0 GHADHL O=c1c(OC[C@@H]2CCC=CO2)c(-c2ccc(O)cc2)oc2cc([O-])cc([O-])c12 ZINC001225624983 1031516016 /nfs/dbraw/zinc/51/60/16/1031516016.db2.gz GPHAJGMWYLSJTJ-HNNXBMFYSA-N -2 3 382.368 3.648 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@H]2CCOC[C@@H]2C)cc1 ZINC001229672740 1033632622 /nfs/dbraw/zinc/63/26/22/1033632622.db2.gz WAWZEHAFQXAXSQ-SJCJKPOMSA-N -2 3 398.411 3.684 20 0 GHADHL O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(-c2cc(F)c([O-])cc2F)nc1 ZINC001206776018 1033978754 /nfs/dbraw/zinc/97/87/54/1033978754.db2.gz VYCBNZMSWVCKCJ-UHFFFAOYSA-N -2 3 398.337 3.811 20 0 GHADHL CCCCS(=O)(=O)[N-]c1cc(Br)c(C(F)(F)F)cc1[O-] ZINC001253871219 1039870911 /nfs/dbraw/zinc/87/09/11/1039870911.db2.gz MTHDRPGIXNDHCI-UHFFFAOYSA-N -2 3 376.194 3.715 20 0 GHADHL O=c1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)[n-]n1-c1ccccc1 ZINC001257448951 1044000430 /nfs/dbraw/zinc/00/04/30/1044000430.db2.gz UIEFJLBORNXACP-UHFFFAOYSA-N -2 3 390.273 3.747 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)c(F)cc1Cl ZINC001259221420 1045018420 /nfs/dbraw/zinc/01/84/20/1045018420.db2.gz GLVKSYKFOMIHJW-UHFFFAOYSA-N -2 3 393.770 3.593 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC001259335891 1045087467 /nfs/dbraw/zinc/08/74/67/1045087467.db2.gz JABXAGKEEBXVOZ-UHFFFAOYSA-N -2 3 383.425 3.647 20 0 GHADHL COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC001260227482 1045420529 /nfs/dbraw/zinc/42/05/29/1045420529.db2.gz MIXKVMJXQVLJSA-UHFFFAOYSA-N -2 3 383.425 3.861 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1Cl)c1cc(F)c(Br)cc1F ZINC001260253953 1045429289 /nfs/dbraw/zinc/42/92/89/1045429289.db2.gz GGYQAIXFHQYBTJ-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c([O-])c1 ZINC001260835048 1045704554 /nfs/dbraw/zinc/70/45/54/1045704554.db2.gz UJKSDKYCFDTDHO-UHFFFAOYSA-N -2 3 397.880 3.943 20 0 GHADHL CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)c([O-])c1 ZINC001449452043 1060404330 /nfs/dbraw/zinc/40/43/30/1060404330.db2.gz YOEHQAWPHTVKBN-UHFFFAOYSA-N -2 3 380.347 3.975 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2-c2ccc(Cl)cc2)o1 ZINC000740176909 599778656 /nfs/dbraw/zinc/77/86/56/599778656.db2.gz YZXKDPLRPRMVMF-UHFFFAOYSA-N -2 3 391.832 3.777 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)ccc1OC(C)C ZINC000327678480 600482452 /nfs/dbraw/zinc/48/24/52/600482452.db2.gz IKGAOCTVSDBZTJ-UHFFFAOYSA-N -2 3 383.853 3.935 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)ccc1C(=O)[O-] ZINC000738477039 600893217 /nfs/dbraw/zinc/89/32/17/600893217.db2.gz ARZOHAKUUWGLQN-UHFFFAOYSA-N -2 3 394.880 3.748 20 0 GHADHL O=C([O-])[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(Cl)cc1Cl ZINC000833351656 601098588 /nfs/dbraw/zinc/09/85/88/601098588.db2.gz SWUKLEJYXHRDMS-AWEZNQCLSA-N -2 3 381.171 3.959 20 0 GHADHL O=C([O-])[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(Cl)cc1Cl ZINC000833351656 601098591 /nfs/dbraw/zinc/09/85/91/601098591.db2.gz SWUKLEJYXHRDMS-AWEZNQCLSA-N -2 3 381.171 3.959 20 0 GHADHL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000754255903 601327252 /nfs/dbraw/zinc/32/72/52/601327252.db2.gz FBXVJZRAOUYPJG-KTKRTIGZSA-N -2 3 379.409 3.724 20 0 GHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1C ZINC000832868200 601362004 /nfs/dbraw/zinc/36/20/04/601362004.db2.gz HLRYIWHJJJKRTK-UHFFFAOYSA-N -2 3 392.452 3.542 20 0 GHADHL CCc1oc(C(=O)[O-])cc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000830394641 601404617 /nfs/dbraw/zinc/40/46/17/601404617.db2.gz KHPMNRRXRDNUBA-UHFFFAOYSA-N -2 3 396.428 3.667 20 0 GHADHL Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000013028076 601826743 /nfs/dbraw/zinc/82/67/43/601826743.db2.gz BZDBEKTXHBBKAA-UHFFFAOYSA-N -2 3 395.651 3.728 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)ccc1F ZINC000175776503 601830995 /nfs/dbraw/zinc/83/09/95/601830995.db2.gz NZVYMVJJRVJVNB-UHFFFAOYSA-N -2 3 391.342 3.820 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc(C(=O)[O-])c1C ZINC000471123420 834785022 /nfs/dbraw/zinc/78/50/22/834785022.db2.gz FZIGRLMOFZUSCM-UHFFFAOYSA-N -2 3 387.379 3.907 20 0 GHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000548203095 842148548 /nfs/dbraw/zinc/14/85/48/842148548.db2.gz NLWOCHGCRBPCCL-LLVKDONJSA-N -2 3 395.864 3.779 20 0 GHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1F ZINC000548557517 845526513 /nfs/dbraw/zinc/52/65/13/845526513.db2.gz FBNXZLHAQYQBPH-UHFFFAOYSA-N -2 3 396.198 3.912 20 0 GHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1F ZINC000582156673 846537498 /nfs/dbraw/zinc/53/74/98/846537498.db2.gz KQMVGQMFGUKRFF-UHFFFAOYSA-N -2 3 395.305 3.569 20 0 GHADHL CC1C[C@H](C(=O)Nc2ccc(F)cc2[O-])[C@@H](C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000481680233 862001327 /nfs/dbraw/zinc/00/13/27/862001327.db2.gz YEBSLWAFLSAFEC-KBPBESRZSA-N -2 3 390.386 3.616 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000504680165 850233167 /nfs/dbraw/zinc/23/31/67/850233167.db2.gz JAYIJSRBQXREGU-ZDUSSCGKSA-N -2 3 395.502 3.678 20 0 GHADHL Cc1nc(C=Cc2ccc(-n3cnc4ccccc43)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504734089 850262907 /nfs/dbraw/zinc/26/29/07/850262907.db2.gz WSBAQJDBTFOZCM-FLIBITNWSA-N -2 3 386.411 3.627 20 0 GHADHL O=S(=O)([N-]c1cccc(OC(F)F)c1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436479401 851947147 /nfs/dbraw/zinc/94/71/47/851947147.db2.gz QUUSSIJOVQTIEN-UHFFFAOYSA-N -2 3 383.294 3.813 20 0 GHADHL Cc1nc2ccc(S(=O)(=O)[N-]c3c(F)ccc(C)c3C(=O)[O-])cc2s1 ZINC000573156547 855933310 /nfs/dbraw/zinc/93/33/10/855933310.db2.gz MCLRJLVIYXMLHV-UHFFFAOYSA-N -2 3 380.422 3.551 20 0 GHADHL COc1c(Cl)cc(Cl)cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443451786 858687124 /nfs/dbraw/zinc/68/71/24/858687124.db2.gz XMUJOLRAZWDEJA-HYXAFXHYSA-N -2 3 383.231 3.994 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c(C)c1 ZINC000534687762 867252844 /nfs/dbraw/zinc/25/28/44/867252844.db2.gz ZGGQXEYHTKWMSI-UHFFFAOYSA-N -2 3 377.462 3.602 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cc1C ZINC000479236516 867382019 /nfs/dbraw/zinc/38/20/19/867382019.db2.gz ABSUOIUAIICNFS-UHFFFAOYSA-N -2 3 383.853 3.773 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1C(=O)[O-] ZINC000743267046 868040938 /nfs/dbraw/zinc/04/09/38/868040938.db2.gz XZMAEXYURBABIU-UHFFFAOYSA-N -2 3 375.446 3.815 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccncc3)c2)cc1C(=O)[O-] ZINC001192649000 870557890 /nfs/dbraw/zinc/55/78/90/870557890.db2.gz NCRKPKDSUZNSKJ-UHFFFAOYSA-N -2 3 398.440 3.646 20 0 GHADHL Cc1ccccc1-c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001192725977 870643642 /nfs/dbraw/zinc/64/36/42/870643642.db2.gz JPPCBJCWLQZXKP-UHFFFAOYSA-N -2 3 397.452 3.926 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCC2)c(F)cc1F ZINC001195258531 872288234 /nfs/dbraw/zinc/28/82/34/872288234.db2.gz OLFKUVAHYDHECZ-SFHVURJKSA-N -2 3 395.427 3.873 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CC2CCC2)c2ccccc2)c(F)cc1F ZINC001195267844 872293632 /nfs/dbraw/zinc/29/36/32/872293632.db2.gz HMHBXPQWFUFQIE-QGZVFWFLSA-N -2 3 395.427 3.873 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc(Cl)c1F ZINC000767734086 872810955 /nfs/dbraw/zinc/81/09/55/872810955.db2.gz DILPVNLTZAOXJN-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000768888338 873648742 /nfs/dbraw/zinc/64/87/42/873648742.db2.gz MSTLJWFDOKKTAP-MDZDMXLPSA-N -2 3 395.864 3.778 20 0 GHADHL O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cc(Br)ccc1[O-] ZINC001197671762 873959280 /nfs/dbraw/zinc/95/92/80/873959280.db2.gz BUNZILMWKLDXIL-UHFFFAOYSA-N -2 3 394.649 3.889 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c(C)c1 ZINC000542236724 875200029 /nfs/dbraw/zinc/20/00/29/875200029.db2.gz NNMYIQOWMFGSIZ-ZDUSSCGKSA-N -2 3 377.462 3.773 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1cccc(F)c1Br ZINC001201782373 875880440 /nfs/dbraw/zinc/88/04/40/875880440.db2.gz GKJBSSVKIPROKT-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL CCC(CC)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000530640062 878251791 /nfs/dbraw/zinc/25/17/91/878251791.db2.gz XONJYDPDGKQFLI-UHFFFAOYSA-N -2 3 392.477 3.576 20 0 GHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C(=O)[O-] ZINC000532025624 880902358 /nfs/dbraw/zinc/90/23/58/880902358.db2.gz UZNJCPJCIDOUJW-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c([O-])cccc1F ZINC000130302428 884481929 /nfs/dbraw/zinc/48/19/29/884481929.db2.gz DSXCYPGKWYIAGA-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000761837963 884753905 /nfs/dbraw/zinc/75/39/05/884753905.db2.gz YXKPACNHLUUSMD-OAHLLOKOSA-N -2 3 399.340 3.788 20 0 GHADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000230350782 885575949 /nfs/dbraw/zinc/57/59/49/885575949.db2.gz ABZPHHVVBWOZHR-UHFFFAOYSA-N -2 3 390.642 3.602 20 0 GHADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000556703311 885948927 /nfs/dbraw/zinc/94/89/27/885948927.db2.gz VPCSKAQRLRSIEH-MFKMUULPSA-N -2 3 397.390 3.546 20 0 GHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c1C ZINC000916729716 890140502 /nfs/dbraw/zinc/14/05/02/890140502.db2.gz DKHXBOCDILRGCP-UHFFFAOYSA-N -2 3 392.452 3.542 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2)c1Cl ZINC000917729876 892475548 /nfs/dbraw/zinc/47/55/48/892475548.db2.gz OZDJIRKJMJJTLI-CYBMUJFWSA-N -2 3 388.272 3.796 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)c1 ZINC000537198123 894526257 /nfs/dbraw/zinc/52/62/57/894526257.db2.gz ZDWPMHAPYIXDBW-UHFFFAOYSA-N -2 3 376.459 3.634 20 0 GHADHL CSCc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000544724961 929504126 /nfs/dbraw/zinc/50/41/26/929504126.db2.gz HQNBBBZSVHJKOS-UHFFFAOYSA-N -2 3 393.530 3.903 20 0 GHADHL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000780992233 930664495 /nfs/dbraw/zinc/66/44/95/930664495.db2.gz OODFOUFSHIWCHN-UHFFFAOYSA-N -2 3 390.848 3.823 20 0 GHADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000560417826 933247924 /nfs/dbraw/zinc/24/79/24/933247924.db2.gz GGVMNLGREJFCLA-LLVKDONJSA-N -2 3 387.807 3.527 20 0 GHADHL CCCC[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)[O-] ZINC000829295313 935791188 /nfs/dbraw/zinc/79/11/88/935791188.db2.gz BNTGWWVINZQFFI-CYBMUJFWSA-N -2 3 392.868 3.910 20 0 GHADHL CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000326815073 971331354 /nfs/dbraw/zinc/33/13/54/971331354.db2.gz WISVQBMBSXRUTQ-PWSUYJOCSA-N -2 3 375.437 3.546 20 0 GHADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1Cl ZINC000327118680 971368823 /nfs/dbraw/zinc/36/88/23/971368823.db2.gz PSDKLMJMRJBHRQ-UHFFFAOYSA-N -2 3 389.260 3.558 20 0 GHADHL CC(C)OC(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])[n-]n1 ZINC001591685542 975481868 /nfs/dbraw/zinc/48/18/68/975481868.db2.gz IBMZRTLVXSEJKS-UHFFFAOYSA-N -2 3 393.399 3.592 20 0 GHADHL CC(C)OC(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])n[n-]1 ZINC001591685542 975481874 /nfs/dbraw/zinc/48/18/74/975481874.db2.gz IBMZRTLVXSEJKS-UHFFFAOYSA-N -2 3 393.399 3.592 20 0 GHADHL CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001595129664 979536494 /nfs/dbraw/zinc/53/64/94/979536494.db2.gz NVYBPKJGWXBTJE-CYBMUJFWSA-N -2 3 399.871 3.867 20 0 GHADHL CCCCCC[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001595697973 982247278 /nfs/dbraw/zinc/24/72/78/982247278.db2.gz OKEAHVIINGQPSL-VIFPVBQESA-N -2 3 398.344 3.846 20 0 GHADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC001594952984 982676283 /nfs/dbraw/zinc/67/62/83/982676283.db2.gz PGDUETGBOULWFD-KWQFWETISA-N -2 3 387.807 3.527 20 0 GHADHL CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001597277680 987336991 /nfs/dbraw/zinc/33/69/91/987336991.db2.gz XHBDATYUQVSWCX-UHFFFAOYSA-N -2 3 395.477 3.855 20 0 GHADHL CCc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccc(Br)s2)c([O-])c1 ZINC001597498849 988049449 /nfs/dbraw/zinc/04/94/49/988049449.db2.gz PQVOJXPXTRGBKW-CQSZACIVSA-N -2 3 398.278 3.677 20 0 GHADHL CC(C)[C@](C)(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001590967790 991086378 /nfs/dbraw/zinc/08/63/78/991086378.db2.gz HQZXQYWICZSHJD-KRWDZBQOSA-N -2 3 385.869 3.567 20 0 GHADHL CC1(C)CCC[C@@]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)(C(=O)[O-])C1 ZINC001593899674 996766237 /nfs/dbraw/zinc/76/62/37/996766237.db2.gz RLUZISUXFSBIOF-HNNXBMFYSA-N -2 3 380.293 3.695 20 0 GHADHL COc1ccc([C@H](C)Oc2cc([O-])ccc2C(=O)c2ccc(O)cc2[O-])cn1 ZINC001228121643 1032795475 /nfs/dbraw/zinc/79/54/75/1032795475.db2.gz GPMZXEIADWGNMW-LBPRGKRZSA-N -2 3 381.384 3.578 20 0 GHADHL COc1ccccc1-c1nnc([N-]C(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC001141284053 1024397706 /nfs/dbraw/zinc/39/77/06/1024397706.db2.gz QNTAYEDXIFWSMS-UHFFFAOYSA-N -2 3 381.335 3.589 20 0 GHADHL CCO[C@@H](C)COc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(OC)cc1 ZINC001229672698 1033632231 /nfs/dbraw/zinc/63/22/31/1033632231.db2.gz ULKAGJHOXMHQKA-LBPRGKRZSA-N -2 3 386.400 3.684 20 0 GHADHL CCOC(=O)[C@@H](CC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001229773743 1033703325 /nfs/dbraw/zinc/70/33/25/1033703325.db2.gz MPNWTJUQUKPQMT-OAHLLOKOSA-N -2 3 384.384 3.592 20 0 GHADHL COc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@H](C)C2CC2)ccc1O ZINC001229792053 1033718467 /nfs/dbraw/zinc/71/84/67/1033718467.db2.gz SYHNTDKKSJKZEN-SNVBAGLBSA-N -2 3 384.384 3.763 20 0 GHADHL Cc1cc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000325857734 1034076244 /nfs/dbraw/zinc/07/62/44/1034076244.db2.gz VMNQRHPFZHUTRC-UHFFFAOYSA-N -2 3 389.260 3.515 20 0 GHADHL O=P([O-])([O-])CCCCNC(=S)Nc1ccc(OCc2ccccc2)cc1 ZINC001248279863 1035725095 /nfs/dbraw/zinc/72/50/95/1035725095.db2.gz BBMJDLOIVBWFHI-UHFFFAOYSA-N -2 3 394.433 3.510 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccc(Oc2ccccn2)cc1 ZINC001260139790 1045393227 /nfs/dbraw/zinc/39/32/27/1045393227.db2.gz RBSVYCFPFSYSAL-UHFFFAOYSA-N -2 3 399.453 3.990 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccc(-c2ccccn2)s1 ZINC001260525856 1045523995 /nfs/dbraw/zinc/52/39/95/1045523995.db2.gz GJADLCXMZXXBBA-UHFFFAOYSA-N -2 3 389.483 3.926 20 0 GHADHL O=S(=O)([N-][C@H](C1CCC1)C(F)(F)F)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260878649 1045735445 /nfs/dbraw/zinc/73/54/45/1045735445.db2.gz CYUYVMBRAGREDS-LLVKDONJSA-N -2 3 378.199 3.708 20 0 GHADHL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001329323200 1050777985 /nfs/dbraw/zinc/77/79/85/1050777985.db2.gz KXOBTBCDVUVCOX-UHFFFAOYSA-N -2 3 391.880 3.737 20 0 GHADHL CCc1cccc(C(=O)Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)c1[O-] ZINC001454527116 1061816137 /nfs/dbraw/zinc/81/61/37/1061816137.db2.gz ZZYIWUVBKGDAND-UHFFFAOYSA-N -2 3 384.329 3.525 20 0 GHADHL CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000451010198 450603097 /nfs/dbraw/zinc/60/30/97/450603097.db2.gz SROYZXIKBBLQHR-UHFFFAOYSA-N -2 3 399.896 3.788 20 0 GHADHL Cc1sc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000737563517 598356173 /nfs/dbraw/zinc/35/61/73/598356173.db2.gz PBXTYBGAIHLNTB-SFHVURJKSA-N -2 3 391.497 3.545 20 0 GHADHL Cc1sc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737563517 598356174 /nfs/dbraw/zinc/35/61/74/598356174.db2.gz PBXTYBGAIHLNTB-SFHVURJKSA-N -2 3 391.497 3.545 20 0 GHADHL Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1C(=O)[O-] ZINC000738743982 599801861 /nfs/dbraw/zinc/80/18/61/599801861.db2.gz HFYVTAVWIWCPLU-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000390071923 599905925 /nfs/dbraw/zinc/90/59/25/599905925.db2.gz VAKTZMKSYXQALR-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)cc1C ZINC000737210724 599927608 /nfs/dbraw/zinc/92/76/08/599927608.db2.gz RRIZRBQNYUZBEM-UHFFFAOYSA-N -2 3 395.502 3.512 20 0 GHADHL CC1(C)Cc2ccc(C(=O)Nc3cccc(CSCC(=O)[O-])c3)c([O-])c2O1 ZINC000736737294 600109484 /nfs/dbraw/zinc/10/94/84/600109484.db2.gz NPDOTGBPIBPAGJ-UHFFFAOYSA-N -2 3 387.457 3.676 20 0 GHADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000740136839 600179642 /nfs/dbraw/zinc/17/96/42/600179642.db2.gz YYCSFOWGMGPPSO-UHFFFAOYSA-N -2 3 398.843 3.578 20 0 GHADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)cc1 ZINC000481958812 600210882 /nfs/dbraw/zinc/21/08/82/600210882.db2.gz KFBJPQBTVOCLFM-UHFFFAOYSA-N -2 3 389.473 3.826 20 0 GHADHL Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000738584326 600237352 /nfs/dbraw/zinc/23/73/52/600237352.db2.gz XGLASKHRTWFMFS-HJWRWDBZSA-N -2 3 383.372 3.707 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cc1Br ZINC000832955910 600678529 /nfs/dbraw/zinc/67/85/29/600678529.db2.gz UVALYYNMUPJFTG-UHFFFAOYSA-N -2 3 399.266 3.673 20 0 GHADHL Cc1nc(C2CCCC2)sc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000832997189 600891415 /nfs/dbraw/zinc/89/14/15/600891415.db2.gz SVBJBEGZBFWHBQ-UHFFFAOYSA-N -2 3 380.495 3.620 20 0 GHADHL O=C([O-])c1cccc(-c2nc(COC(=O)c3cc(-c4ccco4)[n-]n3)cs2)c1 ZINC000833326361 601098437 /nfs/dbraw/zinc/09/84/37/601098437.db2.gz KGXIPLQPBJCGLN-UHFFFAOYSA-N -2 3 395.396 3.848 20 0 GHADHL O=C([O-])c1cccc(-c2nc(COC(=O)c3cc(-c4ccco4)n[n-]3)cs2)c1 ZINC000833326361 601098440 /nfs/dbraw/zinc/09/84/40/601098440.db2.gz KGXIPLQPBJCGLN-UHFFFAOYSA-N -2 3 395.396 3.848 20 0 GHADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)c1nccs1 ZINC000134211013 601248438 /nfs/dbraw/zinc/24/84/38/601248438.db2.gz XMKQDUUVGKBPHD-JTQLQIEISA-N -2 3 395.289 3.578 20 0 GHADHL O=C([O-])c1sccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000833348382 601890389 /nfs/dbraw/zinc/89/03/89/601890389.db2.gz IXUFNEJHOMZBFB-UHFFFAOYSA-N -2 3 384.442 3.573 20 0 GHADHL O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000740520860 601930471 /nfs/dbraw/zinc/93/04/71/601930471.db2.gz XLSVEXIVOHYOIY-LSDHHAIUSA-N -2 3 396.447 3.579 20 0 GHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)cc1 ZINC000833506908 605006160 /nfs/dbraw/zinc/00/61/60/605006160.db2.gz VKDBTVAIDNAFEM-UHFFFAOYSA-N -2 3 395.502 3.592 20 0 GHADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000547616615 834362689 /nfs/dbraw/zinc/36/26/89/834362689.db2.gz BPTMFAKNRLVGBY-LBPRGKRZSA-N -2 3 388.272 3.530 20 0 GHADHL O=C([O-])C(F)(F)Oc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1 ZINC000730816643 861300019 /nfs/dbraw/zinc/30/00/19/861300019.db2.gz AKQRXFXGYPKYJE-UHFFFAOYSA-N -2 3 392.383 3.999 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c(C)c1C ZINC000504665347 850221981 /nfs/dbraw/zinc/22/19/81/850221981.db2.gz DHWPPYWCFMIBLQ-CYBMUJFWSA-N -2 3 395.502 3.678 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)cc1Cl ZINC000589938536 855193823 /nfs/dbraw/zinc/19/38/23/855193823.db2.gz JSAMSNZAZIVXDP-UHFFFAOYSA-N -2 3 399.852 3.636 20 0 GHADHL Cc1nn(Cc2ccccc2)c(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443447572 858690325 /nfs/dbraw/zinc/69/03/25/858690325.db2.gz PJDYXKBWDNRJGQ-PKNBQFBNSA-N -2 3 392.459 3.540 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(=O)[O-] ZINC000058518890 881620132 /nfs/dbraw/zinc/62/01/32/881620132.db2.gz DMAIPMODVUHQNY-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C)c3c2)cc1C(=O)[O-] ZINC000479523870 867917814 /nfs/dbraw/zinc/91/78/14/867917814.db2.gz AMJGXJYAXWHGMX-UHFFFAOYSA-N -2 3 375.402 3.557 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1C(=O)[O-] ZINC000524319886 868902867 /nfs/dbraw/zinc/90/28/67/868902867.db2.gz BLIVGERHCBADTK-UHFFFAOYSA-N -2 3 393.461 3.509 20 0 GHADHL CSc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1Cl ZINC000427313714 882311579 /nfs/dbraw/zinc/31/15/79/882311579.db2.gz KHWXEIRUPGGZJE-UHFFFAOYSA-N -2 3 375.830 3.700 20 0 GHADHL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000446620286 870106004 /nfs/dbraw/zinc/10/60/04/870106004.db2.gz ODDQXTKRWLRSJA-UHFFFAOYSA-N -2 3 393.408 3.962 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC(C)C)cc1C(=O)[O-] ZINC001192648545 870554748 /nfs/dbraw/zinc/55/47/48/870554748.db2.gz CUZWRYGPAROBRA-UHFFFAOYSA-N -2 3 397.424 3.511 20 0 GHADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000509637702 871052387 /nfs/dbraw/zinc/05/23/87/871052387.db2.gz LGEWXXJARSSNTR-UHFFFAOYSA-N -2 3 387.816 3.524 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)cc1 ZINC000540496415 871421595 /nfs/dbraw/zinc/42/15/95/871421595.db2.gz NDGYSNQUEVECFU-UHFFFAOYSA-N -2 3 393.424 3.525 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)c1 ZINC000540501919 871470780 /nfs/dbraw/zinc/47/07/80/871470780.db2.gz XWHRMDUYXUPKMX-UHFFFAOYSA-N -2 3 377.462 3.661 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](CC2CCC2)c2ccccc2)c(F)cc1F ZINC001195267842 872292964 /nfs/dbraw/zinc/29/29/64/872292964.db2.gz HMHBXPQWFUFQIE-KRWDZBQOSA-N -2 3 395.427 3.873 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)ccc1OC(C)C ZINC000463788509 872559679 /nfs/dbraw/zinc/55/96/79/872559679.db2.gz RINCUOQNHOHGPP-UHFFFAOYSA-N -2 3 393.461 3.598 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc(Cl)c1F ZINC000767736148 872796039 /nfs/dbraw/zinc/79/60/39/872796039.db2.gz PAMBARFDEUFCPG-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c(C)c1C ZINC000475731342 882910955 /nfs/dbraw/zinc/91/09/55/882910955.db2.gz CWZODYDVMVVCFS-UHFFFAOYSA-N -2 3 383.853 3.773 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1Br ZINC000389921236 876348395 /nfs/dbraw/zinc/34/83/95/876348395.db2.gz SRMRDUYOAWZXAX-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2c(Cl)ccc3cccnc32)cc1C(=O)[O-] ZINC001184696834 913363983 /nfs/dbraw/zinc/36/39/83/913363983.db2.gz JUQNYLWTGRVPPZ-UHFFFAOYSA-N -2 3 376.821 3.696 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc(C(=O)[O-])c1Cl ZINC000814212494 892399211 /nfs/dbraw/zinc/39/92/11/892399211.db2.gz DEBADUJNLJPTSU-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1C(F)(F)F ZINC001185906237 914166968 /nfs/dbraw/zinc/16/69/68/914166968.db2.gz OUSHSRJWMMPIRZ-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3nc(Cl)sc3c2)c1 ZINC000772855941 898165360 /nfs/dbraw/zinc/16/53/60/898165360.db2.gz DRXNFEMXVYXXOJ-UHFFFAOYSA-N -2 3 386.813 3.588 20 0 GHADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([O-])c(Cl)cc2F)cc1Cl ZINC001186098407 914304267 /nfs/dbraw/zinc/30/42/67/914304267.db2.gz GGFAPRJFHJEWSN-UHFFFAOYSA-N -2 3 393.223 3.597 20 0 GHADHL Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186179573 914345970 /nfs/dbraw/zinc/34/59/70/914345970.db2.gz WXGOAQWDKGGURQ-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCc3c2ccc(Cl)c3Cl)cc1C(=O)[O-] ZINC000575919969 901475035 /nfs/dbraw/zinc/47/50/35/901475035.db2.gz GFYVZIWAYVINFE-GFCCVEGCSA-N -2 3 390.244 3.559 20 0 GHADHL COC(=O)C1(Nc2cc([S-])cc([S-])c2)CCN(Cc2ccccc2)CC1 ZINC001171507637 904784270 /nfs/dbraw/zinc/78/42/70/904784270.db2.gz QXNAVYAIFXHCJR-UHFFFAOYSA-N -2 3 388.558 3.884 20 0 GHADHL Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000634788628 908824741 /nfs/dbraw/zinc/82/47/41/908824741.db2.gz BLQFZUKXJQNFCS-UHFFFAOYSA-N -2 3 380.441 3.625 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2C(F)(F)F)ccc1Cl ZINC001188272679 915866128 /nfs/dbraw/zinc/86/61/28/915866128.db2.gz MNLBHIXVGPMHMS-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2[S-])ccc1Cl ZINC001188303471 915903625 /nfs/dbraw/zinc/90/36/25/915903625.db2.gz QQGNPYRCOLVMTP-UHFFFAOYSA-N -3 3 378.258 3.781 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC001192085457 918382440 /nfs/dbraw/zinc/38/24/40/918382440.db2.gz XXYWHXWZPGXIGJ-UHFFFAOYSA-N -2 3 397.452 3.955 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3(CC(=O)[O-])CCCC3)c2)n1 ZINC000364828382 920058818 /nfs/dbraw/zinc/05/88/18/920058818.db2.gz ARBMUFMFTLZLPO-UHFFFAOYSA-N -2 3 383.448 3.775 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc(C(=O)[O-])c1Cl ZINC000759091388 930270615 /nfs/dbraw/zinc/27/06/15/930270615.db2.gz SLULPRDKIPBJBP-UHFFFAOYSA-N -2 3 383.853 3.935 20 0 GHADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)cc1 ZINC000561382588 934101293 /nfs/dbraw/zinc/10/12/93/934101293.db2.gz QHUXGERUHNJCMK-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)c(F)c1 ZINC000327329653 971388666 /nfs/dbraw/zinc/38/86/66/971388666.db2.gz MOXQTPFFCLRVRD-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC001589506937 955037704 /nfs/dbraw/zinc/03/77/04/955037704.db2.gz HBVNUKGBAGXDLC-UHFFFAOYSA-N -2 3 387.807 3.528 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCc3ccccc32)c(F)cc1Cl ZINC001259225695 960694097 /nfs/dbraw/zinc/69/40/97/960694097.db2.gz CCUPFYNXAAWGIX-LBPRGKRZSA-N -2 3 397.855 3.576 20 0 GHADHL CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000749143612 978688333 /nfs/dbraw/zinc/68/83/33/978688333.db2.gz KNMPYOADRXNXNU-UHFFFAOYSA-N -2 3 379.409 3.554 20 0 GHADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001595007950 982927268 /nfs/dbraw/zinc/92/72/68/982927268.db2.gz INCIAKYUEQIIRT-AWEZNQCLSA-N -2 3 389.473 3.781 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1Cl ZINC001595966101 983170729 /nfs/dbraw/zinc/17/07/29/983170729.db2.gz CEWLYQUTJMBFFE-UHFFFAOYSA-N -2 3 387.816 3.767 20 0 GHADHL CC(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001591269874 992186661 /nfs/dbraw/zinc/18/66/61/992186661.db2.gz LEBBJBJHSMJTHL-UHFFFAOYSA-N -2 3 391.489 3.930 20 0 GHADHL [S-]c1[n-]c(O[C@@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)nc2ncnc1-2 ZINC001226784223 1032127990 /nfs/dbraw/zinc/12/79/90/1032127990.db2.gz FMFDJJGFVRMKMV-SNVBAGLBSA-N -2 3 396.303 3.602 20 0 GHADHL COc1cc(OC)cc([C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C(=O)[O-])c1 ZINC001599452814 998134988 /nfs/dbraw/zinc/13/49/88/998134988.db2.gz LSKOEXIVVXDQEB-AWEZNQCLSA-N -2 3 395.820 3.883 20 0 GHADHL O=C(Nc1c([O-])cccc1F)[C@H]1CC[C@H](C(=O)Nc2c([O-])cccc2F)CC1 ZINC000679240048 1021976441 /nfs/dbraw/zinc/97/64/41/1021976441.db2.gz VEWNWRQQGVJGDR-HAQNSBGRSA-N -2 3 390.386 3.760 20 0 GHADHL CCOc1ccccc1-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215470770 1029225067 /nfs/dbraw/zinc/22/50/67/1029225067.db2.gz DCSKMHFPPWLRCJ-UHFFFAOYSA-N -2 3 377.194 3.976 20 0 GHADHL COc1cc(F)c(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)cc1F ZINC001215471016 1029226116 /nfs/dbraw/zinc/22/61/16/1029226116.db2.gz LSYYLBKXHUPZJM-UHFFFAOYSA-N -2 3 399.147 3.864 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC[C@@H]2CCC=CO2)cc1 ZINC001229669622 1033630731 /nfs/dbraw/zinc/63/07/31/1033630731.db2.gz UQYCCMZDBCXZEB-INIZCTEOSA-N -2 3 396.395 3.951 20 0 GHADHL O=S(=O)([N-]c1nc2ccccc2nc1-c1ccc([O-])cc1F)c1ccccc1 ZINC001206037724 1033696903 /nfs/dbraw/zinc/69/69/03/1033696903.db2.gz MUKNODIKVYPKPN-UHFFFAOYSA-N -2 3 395.415 3.942 20 0 GHADHL Cc1ccc(CSc2nc([N-]C(=O)c3cc(-c4ccccn4)no3)n[n-]2)cc1 ZINC001159363683 1034564278 /nfs/dbraw/zinc/56/42/78/1034564278.db2.gz PGKNWJSNJUCMLF-UHFFFAOYSA-N -2 3 392.444 3.708 20 0 GHADHL O=S(=O)([N-]c1nc2ccccc2nc1-c1ccccc1[O-])c1ccccc1 ZINC001241008567 1042969641 /nfs/dbraw/zinc/96/96/41/1042969641.db2.gz SDSHDAWGACSEOB-UHFFFAOYSA-N -2 3 377.425 3.803 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c(Cl)c1 ZINC001259220163 1045017174 /nfs/dbraw/zinc/01/71/74/1045017174.db2.gz XGNGUAWGGSOYDN-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2[S-])cc1 ZINC001259323433 1045077589 /nfs/dbraw/zinc/07/75/89/1045077589.db2.gz OPEMVPKRZUMTKH-UHFFFAOYSA-N -2 3 385.894 3.535 20 0 GHADHL Cc1ccc(Br)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260227545 1045420031 /nfs/dbraw/zinc/42/00/31/1045420031.db2.gz CPXMEPFXNRLMHY-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL O=S(=O)([N-]c1ccc2nsnc2c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260866924 1045723635 /nfs/dbraw/zinc/72/36/35/1045723635.db2.gz JXTGLWJOEFCXPX-UHFFFAOYSA-N -2 3 376.246 3.505 20 0 GHADHL O=S(=O)([N-]c1ccc(CO)c(Cl)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260877175 1045734611 /nfs/dbraw/zinc/73/46/11/1045734611.db2.gz QFTKUBZSCYLATD-UHFFFAOYSA-N -2 3 382.652 3.646 20 0 GHADHL O=C(Nc1cccc(F)c1[O-])c1c([O-])cnc2c(Br)cccc21 ZINC001454768115 1061934650 /nfs/dbraw/zinc/93/46/50/1061934650.db2.gz HZOQMVDWPVHAQB-UHFFFAOYSA-N -2 3 377.169 3.800 20 0 GHADHL Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])c2)n1 ZINC000571422001 450602314 /nfs/dbraw/zinc/60/23/14/450602314.db2.gz NIQNYGZUNZLHLW-UHFFFAOYSA-N -2 3 375.837 3.612 20 0 GHADHL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1C ZINC000436478058 450602372 /nfs/dbraw/zinc/60/23/72/450602372.db2.gz OBXABPCQSIFBIG-UHFFFAOYSA-N -2 3 382.869 3.893 20 0 GHADHL Cc1cc(C(=O)[O-])c2sc([N-]C(=O)c3cc(-c4cccc(F)c4)no3)nc2n1 ZINC000738346190 600049943 /nfs/dbraw/zinc/04/99/43/600049943.db2.gz NYUVHYHIMWKQFS-UHFFFAOYSA-N -2 3 398.375 3.744 20 0 GHADHL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000740121914 600058264 /nfs/dbraw/zinc/05/82/64/600058264.db2.gz UUXFZKGCBHRHRS-UHFFFAOYSA-N -2 3 399.268 3.622 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)cc1C ZINC000738655484 600070012 /nfs/dbraw/zinc/07/00/12/600070012.db2.gz XZIDRJATYSDRCT-UHFFFAOYSA-N -2 3 379.503 3.812 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c(Cl)c2)cc1 ZINC000740177646 600106202 /nfs/dbraw/zinc/10/62/02/600106202.db2.gz PSXKYTWCWVVFGL-UHFFFAOYSA-N -2 3 394.880 3.829 20 0 GHADHL CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000736296658 600416358 /nfs/dbraw/zinc/41/63/58/600416358.db2.gz FMCPRLYPHHEXOA-SFHVURJKSA-N -2 3 392.455 3.771 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)ccc1C(=O)[O-] ZINC000506650191 600891598 /nfs/dbraw/zinc/89/15/98/600891598.db2.gz WKNGCQDRZPYGSK-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)c1nccs1 ZINC000134211133 601248481 /nfs/dbraw/zinc/24/84/81/601248481.db2.gz XMKQDUUVGKBPHD-SNVBAGLBSA-N -2 3 395.289 3.578 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1C(=O)[O-] ZINC000471131152 602117185 /nfs/dbraw/zinc/11/71/85/602117185.db2.gz AMMHZVXJKNMGJS-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000539111365 605005770 /nfs/dbraw/zinc/00/57/70/605005770.db2.gz CAQOLXDLZOWILN-UHFFFAOYSA-N -2 3 377.462 3.637 20 0 GHADHL Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826296474 608307164 /nfs/dbraw/zinc/30/71/64/608307164.db2.gz YGWJSMIVKOADAH-UHFFFAOYSA-N -2 3 391.884 3.753 20 0 GHADHL Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826296474 608307165 /nfs/dbraw/zinc/30/71/65/608307165.db2.gz YGWJSMIVKOADAH-UHFFFAOYSA-N -2 3 391.884 3.753 20 0 GHADHL O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cc(F)c(F)c([O-])c1F ZINC000183582152 835283866 /nfs/dbraw/zinc/28/38/66/835283866.db2.gz WXCVGKGBEUEIRH-UHFFFAOYSA-N -2 3 383.326 3.643 20 0 GHADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000580751673 840127916 /nfs/dbraw/zinc/12/79/16/840127916.db2.gz LYYITBRDEMAXCV-SFHVURJKSA-N -2 3 398.463 3.703 20 0 GHADHL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000055638615 840249150 /nfs/dbraw/zinc/24/91/50/840249150.db2.gz LWMRPSDVUNRWFL-UHFFFAOYSA-N -2 3 390.461 3.541 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1OCC ZINC000045946651 841875659 /nfs/dbraw/zinc/87/56/59/841875659.db2.gz TYEJMWFTRYXINV-UHFFFAOYSA-N -2 3 393.461 3.600 20 0 GHADHL CSc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1Cl ZINC000548266497 842341577 /nfs/dbraw/zinc/34/15/77/842341577.db2.gz XIDWGIJOQGZRKC-UHFFFAOYSA-N -2 3 393.820 3.839 20 0 GHADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1C(=O)[O-] ZINC000431169055 843757381 /nfs/dbraw/zinc/75/73/81/843757381.db2.gz KVIJBHNREIWREZ-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(C)c1 ZINC000512740258 845291519 /nfs/dbraw/zinc/29/15/19/845291519.db2.gz ZNMTZRSIYKUCDT-UHFFFAOYSA-N -2 3 377.462 3.900 20 0 GHADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cc2cc(Cl)ccc2s1 ZINC000486816650 850122650 /nfs/dbraw/zinc/12/26/50/850122650.db2.gz AXRAAYVWWLPIKH-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cc2cc(Cl)ccc2s1 ZINC000486816650 850122657 /nfs/dbraw/zinc/12/26/57/850122657.db2.gz AXRAAYVWWLPIKH-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL CCCCCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000504728262 850275462 /nfs/dbraw/zinc/27/54/62/850275462.db2.gz ATUCIRPXWILNJF-NTMALXAHSA-N -2 3 386.448 3.866 20 0 GHADHL Cc1sc([C@@H]2CCCN2C(=O)CCCc2ccc([O-])c(F)c2)nc1C(=O)[O-] ZINC000910724830 851342568 /nfs/dbraw/zinc/34/25/68/851342568.db2.gz VBPVEEKLNLOIAJ-AWEZNQCLSA-N -2 3 392.452 3.681 20 0 GHADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000111112401 856795392 /nfs/dbraw/zinc/79/53/92/856795392.db2.gz FTADCMNLGDVOAQ-UHFFFAOYSA-N -2 3 387.395 3.579 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000466283839 858979311 /nfs/dbraw/zinc/97/93/11/858979311.db2.gz UUQQXHYICZAEEP-UHFFFAOYSA-N -2 3 387.379 3.989 20 0 GHADHL CC(=O)c1ccc(-c2ccc(C(=O)[N-]c3nnc(CCCC(=O)[O-])s3)o2)cc1 ZINC000736185008 865149782 /nfs/dbraw/zinc/14/97/82/865149782.db2.gz ALITWDPJYVYSJK-UHFFFAOYSA-N -2 3 399.428 3.660 20 0 GHADHL O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cc(=O)c2ccccc2[n-]1 ZINC000446373593 869793337 /nfs/dbraw/zinc/79/33/37/869793337.db2.gz VNZLHQZVMNHLQO-UHFFFAOYSA-N -2 3 399.237 3.899 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(=O)[n-]3)cc2)c2ccccc12 ZINC001193864383 871366884 /nfs/dbraw/zinc/36/68/84/871366884.db2.gz YNCAXBFIDLKXRY-UHFFFAOYSA-N -2 3 379.441 3.840 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194431986 871713974 /nfs/dbraw/zinc/71/39/74/871713974.db2.gz RSSNTCYJNLYZLF-UHFFFAOYSA-N -2 3 391.832 3.786 20 0 GHADHL C[C@]12CC3CC([N-]S(=O)(=O)c4cc(C(=O)[O-])c(F)cc4F)(C1)C[C@@](C)(C3)C2 ZINC001195250182 872279521 /nfs/dbraw/zinc/27/95/21/872279521.db2.gz VRIICWLGSFZLKJ-PDPGNDQDSA-N -2 3 399.459 3.690 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c(F)n1 ZINC001196068651 872860053 /nfs/dbraw/zinc/86/00/53/872860053.db2.gz WNXUPGMQIVIUAU-UHFFFAOYSA-N -2 3 386.404 3.695 20 0 GHADHL COc1cccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1F ZINC000769889311 874352434 /nfs/dbraw/zinc/35/24/34/874352434.db2.gz HQZIRAYWPBDIIL-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000776551046 877962419 /nfs/dbraw/zinc/96/24/19/877962419.db2.gz GMNDIAMHACKSGU-UHFFFAOYSA-N -2 3 382.507 3.514 20 0 GHADHL Cc1c([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cccc1C(=O)[O-] ZINC000476802733 883157383 /nfs/dbraw/zinc/15/73/83/883157383.db2.gz ZLFGXBVIUHSXHP-UHFFFAOYSA-N -2 3 377.462 3.919 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)cc1Cl ZINC000392260772 883352304 /nfs/dbraw/zinc/35/23/04/883352304.db2.gz QDARPUMWXRUELV-UHFFFAOYSA-N -2 3 383.853 3.800 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000917731467 892475440 /nfs/dbraw/zinc/47/54/40/892475440.db2.gz ABHCFYZWKSGHJB-UHFFFAOYSA-N -2 3 375.446 3.815 20 0 GHADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000578832418 904160970 /nfs/dbraw/zinc/16/09/70/904160970.db2.gz NCLZILMEIIYRQR-UHFFFAOYSA-N -2 3 381.406 3.955 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c(Cl)cc1F ZINC000795367112 910069021 /nfs/dbraw/zinc/06/90/21/910069021.db2.gz DQRUQXGDNPIJAC-UHFFFAOYSA-N -2 3 375.780 3.734 20 0 GHADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000681571415 925852911 /nfs/dbraw/zinc/85/29/11/925852911.db2.gz BWCULMSBFMAJQA-JTQLQIEISA-N -2 3 394.301 3.592 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc(C(=O)[O-])c1Cl ZINC000759089471 930269104 /nfs/dbraw/zinc/26/91/04/930269104.db2.gz CJMQZQDHDBQSER-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(F)c([O-])c(F)c3)nc(=O)c2c1C ZINC000759537913 930396123 /nfs/dbraw/zinc/39/61/23/930396123.db2.gz FMVBWBDFPJOGSQ-ZETCQYMHSA-N -2 3 380.372 3.916 20 0 GHADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1 ZINC000829910726 935881306 /nfs/dbraw/zinc/88/13/06/935881306.db2.gz KXTMXTKIWBAOFO-CYBMUJFWSA-N -2 3 375.446 3.607 20 0 GHADHL C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)c3c[n-]c4ccccc4c3=O)sc2[C@H](C)O1 ZINC001589412182 954524911 /nfs/dbraw/zinc/52/49/11/954524911.db2.gz WQXVSPMGESBSFE-UWVGGRQHSA-N -2 3 398.440 3.562 20 0 GHADHL Cc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])c3cc(Br)ccc32)c1 ZINC001594373231 958561515 /nfs/dbraw/zinc/56/15/15/958561515.db2.gz JVYXLMKQBDMZMY-LBPRGKRZSA-N -2 3 390.233 3.682 20 0 GHADHL C[C@@](CC(=O)[O-])(NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccncc1 ZINC001592304627 977666178 /nfs/dbraw/zinc/66/61/78/977666178.db2.gz SHSCMYKRMFIEDB-QFIPXVFZSA-N -2 3 392.411 3.699 20 0 GHADHL CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CCCC1 ZINC001595599837 981574353 /nfs/dbraw/zinc/57/43/53/981574353.db2.gz CUHLBBKQKBCKII-AWEZNQCLSA-N -2 3 377.865 3.815 20 0 GHADHL CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC001597500872 988060814 /nfs/dbraw/zinc/06/08/14/988060814.db2.gz ZDWSBSLEBURNIS-OAHLLOKOSA-N -2 3 381.350 3.919 20 0 GHADHL CSc1ccc(-c2nsc([N-]C(=O)c3ccc(/C=C\C(=O)[O-])o3)n2)cc1 ZINC001599809659 988311636 /nfs/dbraw/zinc/31/16/36/988311636.db2.gz PHUFARDSKZTSQE-UITAMQMPSA-N -2 3 387.442 3.870 20 0 GHADHL CSc1ccc([O-])c(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001599820161 988499093 /nfs/dbraw/zinc/49/90/93/988499093.db2.gz PMBFBSOMASOTLD-SFHVURJKSA-N -2 3 379.865 3.583 20 0 GHADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC001590319517 989756065 /nfs/dbraw/zinc/75/60/65/989756065.db2.gz IFUNQKWYQVREDP-UHFFFAOYSA-N -2 3 391.449 3.760 20 0 GHADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1)C(=O)[O-] ZINC000545209827 1015657682 /nfs/dbraw/zinc/65/76/82/1015657682.db2.gz CLIQSKDQYUQHIT-INIZCTEOSA-N -2 3 391.489 3.766 20 0 GHADHL CC(C)CC1(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CCC1 ZINC001591197227 992016478 /nfs/dbraw/zinc/01/64/78/992016478.db2.gz FFWMRMWNBRMRPE-UHFFFAOYSA-N -2 3 377.865 3.672 20 0 GHADHL COc1ccc([C@H](NC(=O)c2ccc(C(C)C)cc2[O-])C(=O)[O-])cc1Cl ZINC001599524197 997531393 /nfs/dbraw/zinc/53/13/93/997531393.db2.gz GUDCCCYCXSMWFR-KRWDZBQOSA-N -2 3 377.824 3.733 20 0 GHADHL COc1cc(Cl)cnc1-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215473326 1029229099 /nfs/dbraw/zinc/22/90/99/1029229099.db2.gz IMSLSIVWDJGOHM-UHFFFAOYSA-N -2 3 398.600 3.634 20 0 GHADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC001151752368 1030991364 /nfs/dbraw/zinc/99/13/64/1030991364.db2.gz DFOQXADSSAKZLH-UHFFFAOYSA-N -2 3 394.758 3.559 20 0 GHADHL C[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1)C(F)(F)F ZINC001225625269 1031515657 /nfs/dbraw/zinc/51/56/57/1031515657.db2.gz GYPXWAOSDCDWJV-MRVPVSSYSA-N -2 3 382.290 3.906 20 0 GHADHL O=c1c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c(-c2ccc(O)cc2)oc2cc([O-])cc([O-])c12 ZINC001225627297 1031518035 /nfs/dbraw/zinc/51/80/35/1031518035.db2.gz YMQPCFZPYGXIIB-XTQGRXLLSA-N -2 3 378.380 3.920 20 0 GHADHL C[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)c1ncccn1 ZINC001229772071 1033702321 /nfs/dbraw/zinc/70/23/21/1033702321.db2.gz VMCPZSITZOPHNH-GFCCVEGCSA-N -2 3 376.368 3.801 20 0 GHADHL O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(-c2cc([O-])cc(F)c2)nc1 ZINC001241262021 1035545329 /nfs/dbraw/zinc/54/53/29/1035545329.db2.gz UWVUYDPACACBLZ-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cccnc2-c2ccc([O-])c(F)c2)cc1 ZINC001240782434 1042954014 /nfs/dbraw/zinc/95/40/14/1042954014.db2.gz BDQDDBFLYZDDLJ-UHFFFAOYSA-N -2 3 388.420 3.793 20 0 GHADHL CC(C)(C)[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC001259357098 1045098734 /nfs/dbraw/zinc/09/87/34/1045098734.db2.gz NNHHENLPUVNTKI-GOSISDBHSA-N -2 3 389.473 3.637 20 0 GHADHL O=c1[n-]c(F)c(Cl)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1Cl ZINC001259390936 1045117773 /nfs/dbraw/zinc/11/77/73/1045117773.db2.gz HSNHNKMJVGDXHZ-UHFFFAOYSA-N -2 3 394.236 3.644 20 0 GHADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCC3CCCC3)cc2)c1 ZINC001260189536 1045405360 /nfs/dbraw/zinc/40/53/60/1045405360.db2.gz IXYRLAZSLLYBCJ-UHFFFAOYSA-N -2 3 375.446 3.755 20 0 GHADHL O=C(NCc1ccc([O-])c(Br)c1)c1cccc(C(F)(F)F)c1[O-] ZINC001465960312 1065938360 /nfs/dbraw/zinc/93/83/60/1065938360.db2.gz CHFSCOSMAKPFIM-UHFFFAOYSA-N -2 3 390.155 3.809 20 0 GHADHL CC(C)(C)Sc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000735642519 598365901 /nfs/dbraw/zinc/36/59/01/598365901.db2.gz CBLTUXBCDMKGMQ-UHFFFAOYSA-N -2 3 389.506 3.558 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000738347390 599739966 /nfs/dbraw/zinc/73/99/66/599739966.db2.gz JSGAMBRBLUXQRV-UHFFFAOYSA-N -2 3 394.880 3.748 20 0 GHADHL C[C@@]([N-]C(=O)C(F)(F)c1ccccc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736633743 599836425 /nfs/dbraw/zinc/83/64/25/599836425.db2.gz VMAOJLRLBLIULU-INIZCTEOSA-N -2 3 398.203 3.657 20 0 GHADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000736452698 600299772 /nfs/dbraw/zinc/29/97/72/600299772.db2.gz DJDLJKOLQRWNIV-UHFFFAOYSA-N -2 3 376.478 3.796 20 0 GHADHL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000740136825 600513441 /nfs/dbraw/zinc/51/34/41/600513441.db2.gz YMOUCAZOMWUKIF-UHFFFAOYSA-N -2 3 381.624 3.541 20 0 GHADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000833028923 601215039 /nfs/dbraw/zinc/21/50/39/601215039.db2.gz UAPGGZKPMHSINR-ZETCQYMHSA-N -2 3 378.233 3.633 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)ccc1C(=O)[O-] ZINC000671660426 601785117 /nfs/dbraw/zinc/78/51/17/601785117.db2.gz SOBOVWDJRJAMFU-UHFFFAOYSA-N -2 3 377.462 3.809 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(Cl)cc1F ZINC000728017137 601840170 /nfs/dbraw/zinc/84/01/70/601840170.db2.gz JPZPMIFVSDKSJE-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1 ZINC000832874600 604809611 /nfs/dbraw/zinc/80/96/11/604809611.db2.gz NKLNROABSNVODQ-UHFFFAOYSA-N -2 3 383.853 3.529 20 0 GHADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833504947 605118824 /nfs/dbraw/zinc/11/88/24/605118824.db2.gz RXHJDQWSJUTFRS-FLIBITNWSA-N -2 3 378.425 3.545 20 0 GHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000511680745 840507229 /nfs/dbraw/zinc/50/72/29/840507229.db2.gz JTBMSZANNGWFHI-CQSZACIVSA-N -2 3 377.462 3.980 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c1Cl ZINC000548260341 842321406 /nfs/dbraw/zinc/32/14/06/842321406.db2.gz DGNDZRMLJWDUMP-MNOVXSKESA-N -2 3 382.309 3.860 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1C(F)(F)F ZINC000431162716 843742507 /nfs/dbraw/zinc/74/25/07/843742507.db2.gz KAKBPOBCFXWFHW-UHFFFAOYSA-N -2 3 399.268 3.622 20 0 GHADHL O=P([O-])([O-])C1(Nc2nccc3c4c([nH]c32)CCCC4)Cc2ccccc2C1 ZINC001167936273 844765336 /nfs/dbraw/zinc/76/53/36/844765336.db2.gz YFXWMDKYNXQEOS-UHFFFAOYSA-N -2 3 383.388 3.526 20 0 GHADHL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512790975 845541535 /nfs/dbraw/zinc/54/15/35/845541535.db2.gz WGMMZYKQHAVAMJ-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000504701991 850246296 /nfs/dbraw/zinc/24/62/96/850246296.db2.gz CTHDCXOREQOURD-LBPRGKRZSA-N -2 3 383.466 3.809 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000504694053 850259819 /nfs/dbraw/zinc/25/98/19/850259819.db2.gz DMEQNPXNEFPBKX-CYBMUJFWSA-N -2 3 395.502 3.760 20 0 GHADHL COc1ccc(-c2ccccc2)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504722811 850272193 /nfs/dbraw/zinc/27/21/93/850272193.db2.gz XELXDWPXTWIXBV-PKNBQFBNSA-N -2 3 376.412 3.964 20 0 GHADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000436993720 852583959 /nfs/dbraw/zinc/58/39/59/852583959.db2.gz GJGCSXYAFRNPID-UHFFFAOYSA-N -2 3 376.217 3.506 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c(C)c1CC(=O)[O-] ZINC000542937240 856982447 /nfs/dbraw/zinc/98/24/47/856982447.db2.gz WEFFTNGBQSBHCU-UHFFFAOYSA-N -2 3 399.415 3.641 20 0 GHADHL CC[C@@H](c1n[n-]c(=NC(=O)c2cc(-c3ccco3)[n-]n2)s1)c1ccccc1 ZINC000592803282 857089983 /nfs/dbraw/zinc/08/99/83/857089983.db2.gz OQSFXNOLYKNNQU-CYBMUJFWSA-N -2 3 379.445 3.737 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1Oc1cccnc1 ZINC000057126340 857150422 /nfs/dbraw/zinc/15/04/22/857150422.db2.gz GRUSMIIPGLFGMX-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL Cc1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(OC(F)F)cc1C ZINC000443448764 858691390 /nfs/dbraw/zinc/69/13/90/858691390.db2.gz ZERUEFUTRXQYMC-XQRVVYSFSA-N -2 3 378.375 3.896 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)c(C)c1 ZINC000738654600 859484566 /nfs/dbraw/zinc/48/45/66/859484566.db2.gz CCSLSTBIPVEUTC-UHFFFAOYSA-N -2 3 379.503 3.812 20 0 GHADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC000479264543 867454602 /nfs/dbraw/zinc/45/46/02/867454602.db2.gz DPKJLXVLWBRLRI-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CSCC)c2)cc1C(=O)[O-] ZINC000525010279 869910863 /nfs/dbraw/zinc/91/08/63/869910863.db2.gz WPLYGQWVLRZBDT-UHFFFAOYSA-N -2 3 395.502 3.837 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccnc3)c2)cc1C(=O)[O-] ZINC001192638810 870583811 /nfs/dbraw/zinc/58/38/11/870583811.db2.gz DJGDNQWXYPEABT-UHFFFAOYSA-N -2 3 398.440 3.646 20 0 GHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1 ZINC000447274233 871340446 /nfs/dbraw/zinc/34/04/46/871340446.db2.gz LXIYTWGUZVRRDQ-UHFFFAOYSA-N -2 3 389.404 3.904 20 0 GHADHL Cn1c(Cc2csc(NC(=O)c3ccc4ccccc4c3[O-])n2)n[n-]c1=S ZINC000103187809 871423479 /nfs/dbraw/zinc/42/34/79/871423479.db2.gz HDMUTTINBNYAGA-UHFFFAOYSA-N -2 3 397.485 3.636 20 0 GHADHL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1Cl ZINC001194010485 871430200 /nfs/dbraw/zinc/43/02/00/871430200.db2.gz IGCNCBKVDHRLKF-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCCC2)c(F)cc1F ZINC001195258530 872288792 /nfs/dbraw/zinc/28/87/92/872288792.db2.gz OLFKUVAHYDHECZ-GOSISDBHSA-N -2 3 395.427 3.873 20 0 GHADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000541807188 874324572 /nfs/dbraw/zinc/32/45/72/874324572.db2.gz DYJHUJITOIDLIF-OAHLLOKOSA-N -2 3 391.489 3.785 20 0 GHADHL Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)ccc21 ZINC000615935358 878322296 /nfs/dbraw/zinc/32/22/96/878322296.db2.gz RUIYKJOWWIVMQS-UHFFFAOYSA-N -2 3 398.415 3.970 20 0 GHADHL O=S(=O)(CCc1ccccc1Br)[N-]c1cc(Cl)ccc1[O-] ZINC000461333937 879629606 /nfs/dbraw/zinc/62/96/06/879629606.db2.gz UNIRIFXWZWJREZ-UHFFFAOYSA-N -2 3 390.686 3.793 20 0 GHADHL Cn1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)ccc2Cl)cc1C(=O)[O-] ZINC000475829351 884775131 /nfs/dbraw/zinc/77/51/31/884775131.db2.gz IEUJTLNOMIUYPQ-UHFFFAOYSA-N -2 3 390.848 3.845 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2c(Cl)ncc3ccccc32)cc1C(=O)[O-] ZINC001184663346 913352255 /nfs/dbraw/zinc/35/22/55/913352255.db2.gz IEUHTIBLHYVNHR-UHFFFAOYSA-N -2 3 376.821 3.696 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)(C)C)cc1C(=O)[O-] ZINC001185310412 913798171 /nfs/dbraw/zinc/79/81/71/913798171.db2.gz HNGJZHJWFWVMOW-UHFFFAOYSA-N -2 3 377.462 3.800 20 0 GHADHL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1Br ZINC001185913681 914196183 /nfs/dbraw/zinc/19/61/83/914196183.db2.gz AMAIXLOUVZFJEO-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1cc(=O)n(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3[O-])cc2)[n-]1 ZINC001148336327 904044632 /nfs/dbraw/zinc/04/46/32/904044632.db2.gz CIJRUCKDIFMILL-UHFFFAOYSA-N -2 3 377.322 3.776 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2F)ccc1Cl ZINC001188308851 915906161 /nfs/dbraw/zinc/90/61/61/915906161.db2.gz NPPXFEUZYRSPNN-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c([O-])c1 ZINC001189830954 916953824 /nfs/dbraw/zinc/95/38/24/916953824.db2.gz FEQZWHKLGACPOV-UHFFFAOYSA-N -2 3 399.415 3.568 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191761127 918171172 /nfs/dbraw/zinc/17/11/72/918171172.db2.gz YPYKLEJJTGVJFG-UHFFFAOYSA-N -2 3 390.244 3.595 20 0 GHADHL O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1ccc(Br)cc1[O-] ZINC001191892984 918283183 /nfs/dbraw/zinc/28/31/83/918283183.db2.gz BYZWKUKCXPTEKO-UHFFFAOYSA-N -2 3 394.649 3.889 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(F)(F)C(F)(F)F)cc2)c1 ZINC000678826194 924940830 /nfs/dbraw/zinc/94/08/30/924940830.db2.gz QGTOKZNKOAQMBD-UHFFFAOYSA-N -2 3 397.321 3.856 20 0 GHADHL O=C(Nc1ccc(Cl)cc1[O-])c1ccc(I)c([O-])c1 ZINC000546901983 930520530 /nfs/dbraw/zinc/52/05/30/930520530.db2.gz OOURPEUAJSEEET-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(Br)cc2C)c(C)c1 ZINC000323427017 971003219 /nfs/dbraw/zinc/00/32/19/971003219.db2.gz VGKATUCJECGYCX-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL O=C([O-])c1ccc(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)cc1 ZINC001606495639 973981725 /nfs/dbraw/zinc/98/17/25/973981725.db2.gz CCGOBXFGAOHPNX-UHFFFAOYSA-N -2 3 392.440 3.571 20 0 GHADHL O=C(OCc1ccccc1)[C@H](Oc1nc2ncnc-2c([S-])[n-]1)c1ccccc1 ZINC001226780018 1032123968 /nfs/dbraw/zinc/12/39/68/1032123968.db2.gz CIJGHPXKOVDWSY-MRXNPFEDSA-N -2 3 392.440 3.505 20 0 GHADHL CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Oc2nc3ncnc-3c([S-])[n-]2)C1 ZINC001226781379 1032125735 /nfs/dbraw/zinc/12/57/35/1032125735.db2.gz FXWKCTKRPOXEBB-CYBMUJFWSA-N -2 3 399.476 3.512 20 0 GHADHL CC(C)Oc1ccc(COc2nc3ncnc-3c([S-])[n-]2)cc1Br ZINC001226785232 1032128061 /nfs/dbraw/zinc/12/80/61/1032128061.db2.gz LZZTXYXPLCFTFW-UHFFFAOYSA-N -2 3 395.282 3.770 20 0 GHADHL COc1cccc(C(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)c1[O-] ZINC001599642710 994381820 /nfs/dbraw/zinc/38/18/20/994381820.db2.gz MPKFZCDJJOICHM-UHFFFAOYSA-N -2 3 380.356 3.539 20 0 GHADHL C[C@H](c1ccccc1)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001593330346 994892817 /nfs/dbraw/zinc/89/28/17/994892817.db2.gz HOEUTCDFSCYQQB-QWRGUYRKSA-N -2 3 385.844 3.648 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)[O-])cc1OC ZINC001599393798 997087530 /nfs/dbraw/zinc/08/75/30/997087530.db2.gz PHXRFRVEGJZLCE-UHFFFAOYSA-N -2 3 393.461 3.635 20 0 GHADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@@H]1CCOc2ccccc21 ZINC001228124339 1032797907 /nfs/dbraw/zinc/79/79/07/1032797907.db2.gz ZILIDYCTLAIMPT-HXUWFJFHSA-N -2 3 378.380 3.937 20 0 GHADHL COc1ccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c(F)c1 ZINC001215471052 1029227002 /nfs/dbraw/zinc/22/70/02/1029227002.db2.gz NUMAGSXQNHUEMA-UHFFFAOYSA-N -2 3 381.157 3.725 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@@H]2CCOC[C@@H]2C)cc1 ZINC001229672742 1033631596 /nfs/dbraw/zinc/63/15/96/1033631596.db2.gz WAWZEHAFQXAXSQ-YVEFUNNKSA-N -2 3 398.411 3.684 20 0 GHADHL O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241118330 1035515714 /nfs/dbraw/zinc/51/57/14/1035515714.db2.gz CMSMLKXQHWCNGV-UHFFFAOYSA-N -2 3 398.337 3.811 20 0 GHADHL O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(-c2cc(F)c([O-])c(F)c2)nc1 ZINC001244094643 1036380687 /nfs/dbraw/zinc/38/06/87/1036380687.db2.gz KKDHPJXHVYSDCN-UHFFFAOYSA-N -2 3 398.337 3.811 20 0 GHADHL Nc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)c([O-])c(Cl)c3)cc2s1 ZINC001237733107 1042344553 /nfs/dbraw/zinc/34/45/53/1042344553.db2.gz UFZRMVNPEHUJEN-UHFFFAOYSA-N -2 3 390.273 3.692 20 0 GHADHL CC(C)(C)Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2[O-])o1 ZINC001257903836 1044253756 /nfs/dbraw/zinc/25/37/56/1044253756.db2.gz VGCCVFPSZUMWMK-UHFFFAOYSA-N -2 3 387.461 3.832 20 0 GHADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCC(F)(F)CC1 ZINC001259225357 1045020066 /nfs/dbraw/zinc/02/00/66/1045020066.db2.gz MJYWDINSVNUUEI-UHFFFAOYSA-N -2 3 399.818 3.671 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCCc3ccccc32)c(F)cc1Cl ZINC001259226479 1045021732 /nfs/dbraw/zinc/02/17/32/1045021732.db2.gz UUIHFOOKOATUAT-MRXNPFEDSA-N -2 3 397.855 3.923 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC2CCCC2)cc1 ZINC001260228564 1045421192 /nfs/dbraw/zinc/42/11/92/1045421192.db2.gz LNGHQEXINYOEPN-UHFFFAOYSA-N -2 3 379.409 3.646 20 0 GHADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1cc(Br)c(Cl)s1 ZINC001260490975 1045513970 /nfs/dbraw/zinc/51/39/70/1045513970.db2.gz PZWNHSSBONHUHF-UHFFFAOYSA-N -2 3 386.651 3.810 20 0 GHADHL CC(C)(C)Sc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000726765965 599926677 /nfs/dbraw/zinc/92/66/77/599926677.db2.gz MRZWUVOPXMXDIO-UHFFFAOYSA-N -2 3 395.502 3.841 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c(C)c1 ZINC000738357011 599927402 /nfs/dbraw/zinc/92/74/02/599927402.db2.gz BTPKESHUJCBJNM-UHFFFAOYSA-N -2 3 379.503 3.730 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)ccc1OC(C)C ZINC000738477338 600100986 /nfs/dbraw/zinc/10/09/86/600100986.db2.gz VWCAHVSCNKGXHE-UHFFFAOYSA-N -2 3 382.413 3.812 20 0 GHADHL O=C([O-])COc1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000739842628 600465008 /nfs/dbraw/zinc/46/50/08/600465008.db2.gz MKYHCKHGZXCYDB-UHFFFAOYSA-N -2 3 393.395 3.687 20 0 GHADHL O=C([O-])NCc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000739992262 600465093 /nfs/dbraw/zinc/46/50/93/600465093.db2.gz SAPVLEFLWKDWGM-UHFFFAOYSA-N -2 3 392.411 3.991 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1C(=O)[O-] ZINC000467075880 600817648 /nfs/dbraw/zinc/81/76/48/600817648.db2.gz QPJVPXQMJZMLPW-UHFFFAOYSA-N -2 3 393.461 3.619 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)ccc1F ZINC000028260584 601320817 /nfs/dbraw/zinc/32/08/17/601320817.db2.gz KRVBUOQNVVOZBP-UHFFFAOYSA-N -2 3 379.409 3.646 20 0 GHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC000031721521 601320925 /nfs/dbraw/zinc/32/09/25/601320925.db2.gz IRMVUWINJGCESP-UHFFFAOYSA-N -2 3 387.816 3.765 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)ccc1Cl ZINC000327475327 601828346 /nfs/dbraw/zinc/82/83/46/601828346.db2.gz KPWVRDJUMGAXTI-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000832891370 602175888 /nfs/dbraw/zinc/17/58/88/602175888.db2.gz RYBVRZJDHUKSCI-HNNXBMFYSA-N -2 3 388.489 3.873 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])cc1Cl ZINC000739930892 602646369 /nfs/dbraw/zinc/64/63/69/602646369.db2.gz BLLGGUIJHROWKD-UHFFFAOYSA-N -2 3 396.852 3.580 20 0 GHADHL COc1ccc(-c2nc(SCCC3CCCC3)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821732818 607236993 /nfs/dbraw/zinc/23/69/93/607236993.db2.gz UYKIIXFNLNYTOI-UHFFFAOYSA-N -2 3 398.492 3.710 20 0 GHADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000826422230 608204640 /nfs/dbraw/zinc/20/46/40/608204640.db2.gz RGLULIWWBQVTPA-UHFFFAOYSA-N -2 3 398.637 3.714 20 0 GHADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000826422230 608204643 /nfs/dbraw/zinc/20/46/43/608204643.db2.gz RGLULIWWBQVTPA-UHFFFAOYSA-N -2 3 398.637 3.714 20 0 GHADHL Cc1ccc2cccc(S(=O)(=O)[N-]c3c(Cl)cccc3C(=O)[O-])c2n1 ZINC000547870758 837322198 /nfs/dbraw/zinc/32/21/98/837322198.db2.gz OWUALZWCPUNYHZ-UHFFFAOYSA-N -2 3 376.821 3.696 20 0 GHADHL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000548195813 841926062 /nfs/dbraw/zinc/92/60/62/841926062.db2.gz BOQCWBNQAQZYME-UHFFFAOYSA-N -2 3 399.415 3.539 20 0 GHADHL Cc1cccc2cc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)sc21 ZINC000663294584 843025661 /nfs/dbraw/zinc/02/56/61/843025661.db2.gz VCTMAJOMCDVUNQ-NSHDSACASA-N -2 3 395.424 3.531 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1Cl ZINC000432729752 843603070 /nfs/dbraw/zinc/60/30/70/843603070.db2.gz IRQBXEFEAAVCKG-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000548525829 845358343 /nfs/dbraw/zinc/35/83/43/845358343.db2.gz OMMROSHOVWFPHY-UHFFFAOYSA-N -2 3 389.857 3.841 20 0 GHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1F ZINC000548596600 845724676 /nfs/dbraw/zinc/72/46/76/845724676.db2.gz OXCGODRIOYZDDM-UHFFFAOYSA-N -2 3 396.198 3.912 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(Br)sc1Cl ZINC000504304090 850007059 /nfs/dbraw/zinc/00/70/59/850007059.db2.gz MAHYUQUPHPGCHY-UHFFFAOYSA-N -2 3 386.651 3.810 20 0 GHADHL O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(F)ccc1[O-] ZINC000436525693 852015038 /nfs/dbraw/zinc/01/50/38/852015038.db2.gz HBYGBKIICDBXPL-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000436932260 852491029 /nfs/dbraw/zinc/49/10/29/852491029.db2.gz OIWRERRTEUFBCG-UHFFFAOYSA-N -2 3 381.285 3.694 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c(C)c1 ZINC000441319521 854095315 /nfs/dbraw/zinc/09/53/15/854095315.db2.gz VSUXJQMFLKDSJO-UHFFFAOYSA-N -2 3 377.462 3.845 20 0 GHADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000624713027 855185409 /nfs/dbraw/zinc/18/54/09/855185409.db2.gz LSGZFFTWYQRLJW-UHFFFAOYSA-N -2 3 398.275 3.591 20 0 GHADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000590263535 855358470 /nfs/dbraw/zinc/35/84/70/855358470.db2.gz ZCNBOLRSRKYZSJ-UHFFFAOYSA-N -2 3 395.305 3.791 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1C(=O)[O-] ZINC000442257075 857664995 /nfs/dbraw/zinc/66/49/95/857664995.db2.gz ZGDOZYXJTZSHRQ-UHFFFAOYSA-N -2 3 375.780 3.680 20 0 GHADHL COc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OCc1ccccc1 ZINC000670370239 858311565 /nfs/dbraw/zinc/31/15/65/858311565.db2.gz RUWAGXKGIPZXKU-CSKARUKUSA-N -2 3 378.384 3.638 20 0 GHADHL CSc1cccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000522396675 859326461 /nfs/dbraw/zinc/32/64/61/859326461.db2.gz PAFMSZMIPGTIOE-UHFFFAOYSA-N -2 3 395.502 3.761 20 0 GHADHL O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cc(Br)ccc1[O-] ZINC000555528852 861178610 /nfs/dbraw/zinc/17/86/10/861178610.db2.gz UBVKTVIXMYLJRY-UHFFFAOYSA-N -2 3 376.659 3.750 20 0 GHADHL CCOC(=O)c1ccc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)c([O-])c1 ZINC000736421310 865202759 /nfs/dbraw/zinc/20/27/59/865202759.db2.gz RJWRJIKDLLNCLF-KTKRTIGZSA-N -2 3 381.837 3.635 20 0 GHADHL CCOc1cc(-c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)cc(Cl)c1[O-] ZINC000445411722 868368478 /nfs/dbraw/zinc/36/84/78/868368478.db2.gz PLVMNNDKKXCNAM-UHFFFAOYSA-N -2 3 389.795 3.825 20 0 GHADHL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000538941262 870918862 /nfs/dbraw/zinc/91/88/62/870918862.db2.gz WXFZRVLMQQOPGA-UHFFFAOYSA-N -2 3 375.446 3.634 20 0 GHADHL Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193964127 871406848 /nfs/dbraw/zinc/40/68/48/871406848.db2.gz AXFDJJOOXBLIFP-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000539367514 871798766 /nfs/dbraw/zinc/79/87/66/871798766.db2.gz HHLUIONBXPCYAG-UHFFFAOYSA-N -2 3 381.759 3.874 20 0 GHADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1cc(Br)c(Cl)cc1F ZINC001195435243 872419830 /nfs/dbraw/zinc/41/98/30/872419830.db2.gz DQIYPTZSBWHHCC-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC000768293830 873214881 /nfs/dbraw/zinc/21/48/81/873214881.db2.gz DNPBPQQHYMXOIC-UHFFFAOYSA-N -2 3 387.816 3.767 20 0 GHADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)sc1Cl ZINC000530383385 877652316 /nfs/dbraw/zinc/65/23/16/877652316.db2.gz UQBVJFBVGZSNCC-LLVKDONJSA-N -2 3 398.264 3.607 20 0 GHADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000392707881 879031735 /nfs/dbraw/zinc/03/17/35/879031735.db2.gz YCDXSWVVYNLPOJ-JSGCOSHPSA-N -2 3 399.818 3.671 20 0 GHADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000392707882 879032066 /nfs/dbraw/zinc/03/20/66/879032066.db2.gz YCDXSWVVYNLPOJ-OCCSQVGLSA-N -2 3 399.818 3.671 20 0 GHADHL COc1cc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C ZINC000808126922 886001712 /nfs/dbraw/zinc/00/17/12/886001712.db2.gz XYWARTISCSDXIL-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL Cc1cc2c(o1)CC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000871817351 891021811 /nfs/dbraw/zinc/02/18/11/891021811.db2.gz BVCOECZTEJHVOZ-ZDUSSCGKSA-N -2 3 399.415 3.556 20 0 GHADHL COc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)c1 ZINC000614881236 891524960 /nfs/dbraw/zinc/52/49/60/891524960.db2.gz AAOZAYYTJCPNAR-UHFFFAOYSA-N -2 3 399.424 3.987 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(Cl)ncc2ccccc21 ZINC001185876433 914170000 /nfs/dbraw/zinc/17/00/00/914170000.db2.gz SADXCYIFVKKDOF-UHFFFAOYSA-N -2 3 376.821 3.696 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)cc1C(=O)[O-] ZINC000572145396 900079125 /nfs/dbraw/zinc/07/91/25/900079125.db2.gz QQHIWEFKZCBXLF-UHFFFAOYSA-N -2 3 387.457 3.657 20 0 GHADHL C[C@@H](NC(=O)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21)C1CCCCC1 ZINC001186343221 914489983 /nfs/dbraw/zinc/48/99/83/914489983.db2.gz SXNFTAADQCAYKA-GFCCVEGCSA-N -2 3 392.477 3.882 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(Br)cc2cccnc21 ZINC000579051179 904316977 /nfs/dbraw/zinc/31/69/77/904316977.db2.gz UVOZTXNQAUMSJK-UHFFFAOYSA-N -2 3 397.225 3.643 20 0 GHADHL COc1cnc([C@@H]2CCCN2C(=O)c2cc(Cl)c3ccccc3c2[O-])[n-]c1=O ZINC000889790452 904762868 /nfs/dbraw/zinc/76/28/68/904762868.db2.gz RIKVJLMKAAKZGK-HNNXBMFYSA-N -2 3 399.834 3.680 20 0 GHADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ncc2Cl)c1 ZINC001187547596 915345322 /nfs/dbraw/zinc/34/53/22/915345322.db2.gz COOFTOXTJRSBKB-UHFFFAOYSA-N -2 3 381.624 3.541 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)c(C)c1C(=O)[O-] ZINC000677124300 924248531 /nfs/dbraw/zinc/24/85/31/924248531.db2.gz XJYCNMSCWRTEOB-UHFFFAOYSA-N -2 3 395.387 3.547 20 0 GHADHL Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)c2)n1 ZINC000470458871 930632265 /nfs/dbraw/zinc/63/22/65/930632265.db2.gz OVEGREWLHGQETH-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC000799922882 933170454 /nfs/dbraw/zinc/17/04/54/933170454.db2.gz UWZCLRCJFTZBQT-MDZDMXLPSA-N -2 3 379.409 3.724 20 0 GHADHL C[C@@]([N-]C(=O)C(F)(F)c1cccc(Br)c1)(C(=O)[O-])c1ccccc1 ZINC001573609880 959471596 /nfs/dbraw/zinc/47/15/96/959471596.db2.gz AVWJNKHIRQEXDI-INIZCTEOSA-N -2 3 398.203 3.657 20 0 GHADHL Cc1nc(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])c(-c2ccccc2)s1 ZINC001574423779 961355224 /nfs/dbraw/zinc/35/52/24/961355224.db2.gz GVVCLBCIMHMABR-AWEZNQCLSA-N -2 3 396.534 3.676 20 0 GHADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000400670278 973307490 /nfs/dbraw/zinc/30/74/90/973307490.db2.gz VFBPHKRIXNRGTA-GZMMTYOYSA-N -2 3 387.807 3.527 20 0 GHADHL CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2OC(F)(F)F)c([O-])c1 ZINC001591941755 976462599 /nfs/dbraw/zinc/46/25/99/976462599.db2.gz GPGGUKUHEYENDF-INIZCTEOSA-N -2 3 397.349 3.970 20 0 GHADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)CC(C)(C)C ZINC001592519129 978361579 /nfs/dbraw/zinc/36/15/79/978361579.db2.gz BKDSYXJBTLNAOP-JTQLQIEISA-N -2 3 379.881 3.918 20 0 GHADHL Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC000754255547 978696065 /nfs/dbraw/zinc/69/60/65/978696065.db2.gz DSZOPOIDSDAKAG-KHPPLWFESA-N -2 3 375.446 3.893 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)c2)n1 ZINC000184275982 1014572731 /nfs/dbraw/zinc/57/27/31/1014572731.db2.gz CMTZDUMBSPDNAU-UHFFFAOYSA-N -2 3 387.798 3.750 20 0 GHADHL CC[C@@](NC(=O)c1cc(SC)ccc1[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595265497 980275584 /nfs/dbraw/zinc/27/55/84/980275584.db2.gz WRYJXFLJLZRETJ-SFHVURJKSA-N -2 3 379.865 3.887 20 0 GHADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)C(F)(F)F ZINC001594922170 982475356 /nfs/dbraw/zinc/47/53/56/982475356.db2.gz XAGYHHWHZMZBBH-BONVTDFDSA-N -2 3 389.395 3.793 20 0 GHADHL CCCCOc1ccc(C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])c([O-])c1 ZINC001595776912 982545392 /nfs/dbraw/zinc/54/53/92/982545392.db2.gz MOVXSVXCGJRDJR-KRWDZBQOSA-N -2 3 385.460 3.553 20 0 GHADHL CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC001595005052 982919290 /nfs/dbraw/zinc/91/92/90/982919290.db2.gz MKXMWWBPNHHUFH-JTQLQIEISA-N -2 3 385.388 3.641 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C)c(C(=O)[O-])c3)c2)n1 ZINC001597421622 987742307 /nfs/dbraw/zinc/74/23/07/987742307.db2.gz VLUKNQPCCWBBID-UHFFFAOYSA-N -2 3 377.400 3.671 20 0 GHADHL CC(C)(C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001589728882 987936986 /nfs/dbraw/zinc/93/69/86/987936986.db2.gz QFEJWCDSJWJWHF-ZWNOBZJWSA-N -2 3 377.865 3.670 20 0 GHADHL CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001598077867 990384481 /nfs/dbraw/zinc/38/44/81/990384481.db2.gz QUAQAZOHXIJAJC-UHFFFAOYSA-N -2 3 391.423 3.723 20 0 GHADHL C[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1csc(Cl)c1 ZINC001227594212 1032477435 /nfs/dbraw/zinc/47/74/35/1032477435.db2.gz KXFLVELESHTSQI-SCSAIBSYSA-N -2 3 375.635 3.676 20 0 GHADHL CC(C)Oc1cc(COc2cc([O-])ccc2C(=O)c2ccc(O)cc2[O-])ccn1 ZINC001228121239 1032796923 /nfs/dbraw/zinc/79/69/23/1032796923.db2.gz AYFDMWUWAWPJKG-UHFFFAOYSA-N -2 3 395.411 3.796 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)cc1C(=O)[O-] ZINC000576592412 1020041331 /nfs/dbraw/zinc/04/13/31/1020041331.db2.gz WRFQUBQIJJENEN-UHFFFAOYSA-N -2 3 383.425 3.861 20 0 GHADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000681576765 1022308404 /nfs/dbraw/zinc/30/84/04/1022308404.db2.gz WHABKJMLVBQILQ-LBPRGKRZSA-N -2 3 388.272 3.530 20 0 GHADHL [O-]c1cc([O-])c(-c2nc(-c3ccc(F)c(F)c3F)no2)cc1Br ZINC001215470751 1029225146 /nfs/dbraw/zinc/22/51/46/1029225146.db2.gz CGOQIKUDSFMCGM-UHFFFAOYSA-N -2 3 387.111 3.995 20 0 GHADHL Cc1c(Cl)cc(NC(=O)c2ccc3c(=O)[n-][nH]c(=O)c3c2)c([O-])c1Cl ZINC001154319948 1032039299 /nfs/dbraw/zinc/03/92/99/1032039299.db2.gz YUGKRXVAGBTNKB-UHFFFAOYSA-N -2 3 380.187 3.614 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@H]2CCCCC2=O)cc1 ZINC001229673048 1033632335 /nfs/dbraw/zinc/63/23/35/1033632335.db2.gz WYWWZGJYYAOIIV-KRWDZBQOSA-N -2 3 396.395 3.770 20 0 GHADHL CCCOC(=O)[C@@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001229771844 1033702936 /nfs/dbraw/zinc/70/29/36/1033702936.db2.gz RLSFCIQETDLKCH-GFCCVEGCSA-N -2 3 384.384 3.592 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)c(F)cc1Cl ZINC001259212526 1045013756 /nfs/dbraw/zinc/01/37/56/1045013756.db2.gz QINXAILZXYJFTJ-MRXNPFEDSA-N -2 3 383.828 3.607 20 0 GHADHL CC(C)(C)[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC001259357099 1045098361 /nfs/dbraw/zinc/09/83/61/1045098361.db2.gz NNHHENLPUVNTKI-SFHVURJKSA-N -2 3 389.473 3.637 20 0 GHADHL O=S(=O)([N-]c1ccc(C2OCCO2)cc1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875992 1045731188 /nfs/dbraw/zinc/73/11/88/1045731188.db2.gz JYWDPJSRKMTGKR-UHFFFAOYSA-N -2 3 390.244 3.545 20 0 GHADHL O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(F)c([O-])c1 ZINC001441349471 1058758358 /nfs/dbraw/zinc/75/83/58/1058758358.db2.gz RICARQWVBLZMBZ-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL COc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)[O-])cc1-c1nnn[n-]1 ZINC000737081517 599153891 /nfs/dbraw/zinc/15/38/91/599153891.db2.gz FQGVUACRHDCKIX-JLHYYAGUSA-N -2 3 399.410 3.609 20 0 GHADHL COc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)[O-])cc1-c1nn[n-]n1 ZINC000737081517 599153892 /nfs/dbraw/zinc/15/38/92/599153892.db2.gz FQGVUACRHDCKIX-JLHYYAGUSA-N -2 3 399.410 3.609 20 0 GHADHL O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc([O-])c(Br)c3)nc2c1 ZINC000740190806 599802341 /nfs/dbraw/zinc/80/23/41/599802341.db2.gz TUJOLVVSAJGHLO-QHHAFSJGSA-N -2 3 387.189 3.672 20 0 GHADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736431825 600301956 /nfs/dbraw/zinc/30/19/56/600301956.db2.gz GQYVYNBVOQAZTJ-UHFFFAOYSA-N -2 3 392.477 3.680 20 0 GHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000828764850 601326060 /nfs/dbraw/zinc/32/60/60/601326060.db2.gz OLCCMAJJBWKZMD-YGLIYXGISA-N -2 3 375.446 3.763 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1C(=O)[O-] ZINC000481971225 601475553 /nfs/dbraw/zinc/47/55/53/601475553.db2.gz CKPRAAHAFCNLRA-UHFFFAOYSA-N -2 3 379.409 3.564 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)ccc1Cl ZINC000733122972 601829459 /nfs/dbraw/zinc/82/94/59/601829459.db2.gz KYZJEFGHUFXHGA-UHFFFAOYSA-N -2 3 381.837 3.628 20 0 GHADHL O=C([O-])c1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1Cl ZINC000833145348 604321316 /nfs/dbraw/zinc/32/13/16/604321316.db2.gz JSJIKFGEHQGZCI-UHFFFAOYSA-N -2 3 399.628 3.828 20 0 GHADHL O=C([O-])c1cc(Cl)cc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000833145640 604343233 /nfs/dbraw/zinc/34/32/33/604343233.db2.gz UAOVXENLFXJPEC-UHFFFAOYSA-N -2 3 399.628 3.828 20 0 GHADHL C[C@H](Sc1ccccc1C(=O)Nc1cc(Br)ccc1[O-])C(=O)[O-] ZINC000833543959 604796258 /nfs/dbraw/zinc/79/62/58/604796258.db2.gz BWMBEXNGWPIOQY-VIFPVBQESA-N -2 3 396.262 3.972 20 0 GHADHL Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(C(=O)[O-])c(F)c3)nc(=O)c2c1C ZINC000833036261 604855388 /nfs/dbraw/zinc/85/53/88/604855388.db2.gz GEVLDHPGDKIMBS-MRVPVSSYSA-N -2 3 390.392 3.769 20 0 GHADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3C(=O)[O-])ccc2O1 ZINC000833562672 605167394 /nfs/dbraw/zinc/16/73/94/605167394.db2.gz WMDMXOHTMMCXDU-UHFFFAOYSA-N -2 3 381.837 3.553 20 0 GHADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547907512 837439436 /nfs/dbraw/zinc/43/94/36/837439436.db2.gz TVEYGNGDPRYPMY-AAEUAGOBSA-N -2 3 397.390 3.546 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c(C)c1C ZINC000579765862 834599206 /nfs/dbraw/zinc/59/92/06/834599206.db2.gz MWXGJNWNZJZFNT-UHFFFAOYSA-N -2 3 381.425 3.567 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c(C)c1C(=O)[O-] ZINC000512746537 845323947 /nfs/dbraw/zinc/32/39/47/845323947.db2.gz JOHBWDWYGQCEJP-UHFFFAOYSA-N -2 3 389.473 3.729 20 0 GHADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1C ZINC000504657559 850202378 /nfs/dbraw/zinc/20/23/78/850202378.db2.gz GAGHURCVJOWHJC-CYBMUJFWSA-N -2 3 395.502 3.678 20 0 GHADHL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)C(=O)[O-] ZINC000504680326 850233193 /nfs/dbraw/zinc/23/31/93/850233193.db2.gz LHNIXWXHJWGNPS-LBPRGKRZSA-N -2 3 377.487 3.541 20 0 GHADHL Cc1nc(-c2ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000518666263 853625916 /nfs/dbraw/zinc/62/59/16/853625916.db2.gz YKCZWUJRJQNNAD-OAHLLOKOSA-N -2 3 386.452 3.559 20 0 GHADHL O=C([N-]NC(=O)c1cc(Cl)ccc1[O-])c1sc2ccccc2c1Cl ZINC000010624002 855058275 /nfs/dbraw/zinc/05/82/75/855058275.db2.gz XMNJKPJNJKOOJI-UHFFFAOYSA-N -2 3 381.240 3.989 20 0 GHADHL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000592002902 856565572 /nfs/dbraw/zinc/56/55/72/856565572.db2.gz BAQDNRSWLJJLOP-GFCCVEGCSA-N -2 3 375.446 3.632 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1C(=O)[O-] ZINC000442250413 857653877 /nfs/dbraw/zinc/65/38/77/857653877.db2.gz NDOSWDPRRZWLSX-UHFFFAOYSA-N -2 3 375.780 3.734 20 0 GHADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000521476455 858033121 /nfs/dbraw/zinc/03/31/21/858033121.db2.gz QBBVPBKSMQMJAD-MGCOHNPYSA-N -2 3 399.818 3.528 20 0 GHADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000669623340 859732569 /nfs/dbraw/zinc/73/25/69/859732569.db2.gz UPYVQARCYCMHBK-ZDUSSCGKSA-N -2 3 385.457 3.830 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000727112766 859927648 /nfs/dbraw/zinc/92/76/48/859927648.db2.gz GBRRTPKDZNHXCT-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL CC[C@@H](C)CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000480603254 864958776 /nfs/dbraw/zinc/95/87/76/864958776.db2.gz BZECTJXTZAYFPK-CYBMUJFWSA-N -2 3 392.477 3.576 20 0 GHADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000523871902 868183418 /nfs/dbraw/zinc/18/34/18/868183418.db2.gz YIVRZFYNXUKKRF-UHFFFAOYSA-N -2 3 377.462 3.656 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc([O-])cc(Cl)c2)c(Cl)cc1Cl ZINC001192430701 870359836 /nfs/dbraw/zinc/35/98/36/870359836.db2.gz WROJVNILJADEGZ-UHFFFAOYSA-N -3 3 396.635 3.851 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(F)c2)cc1C(=O)[O-] ZINC001192649037 870555780 /nfs/dbraw/zinc/55/57/80/870555780.db2.gz POMMUWQYWKBTMZ-UHFFFAOYSA-N -2 3 397.424 3.511 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2C)cc1C(=O)[O-] ZINC001192639780 870583480 /nfs/dbraw/zinc/58/34/80/870583480.db2.gz JHPJJXZAKPPLJH-UHFFFAOYSA-N -2 3 383.853 3.855 20 0 GHADHL C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193255321 870978116 /nfs/dbraw/zinc/97/81/16/870978116.db2.gz USIRUEZKSCPMGK-HUUCEWRRSA-N -2 3 388.489 3.596 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)c(F)cc1F ZINC001195257788 872287314 /nfs/dbraw/zinc/28/73/14/872287314.db2.gz IEIWMISDWXHIJL-KRWDZBQOSA-N -2 3 399.390 3.622 20 0 GHADHL CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncc([O-])cc2Cl)cc1 ZINC001196465323 873114369 /nfs/dbraw/zinc/11/43/69/873114369.db2.gz BTLMXGOWHHPJTK-UHFFFAOYSA-N -2 3 399.856 3.588 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1Cl)c1c(F)cccc1Br ZINC001200987923 875448024 /nfs/dbraw/zinc/44/80/24/875448024.db2.gz OQLACGAQVFIVAG-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2c(C)cc(Br)cc2C)ccc1C(=O)[O-] ZINC000476746797 882980667 /nfs/dbraw/zinc/98/06/67/882980667.db2.gz ZZDWCURXKLWYSG-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL COc1cc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc(Cl)c1[O-] ZINC000068726574 878919641 /nfs/dbraw/zinc/91/96/41/878919641.db2.gz OYBSCZUWACCHOJ-XUIVZRPNSA-N -2 3 376.792 3.802 20 0 GHADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2c(F)cc(Cl)cc2F)o1 ZINC000538249925 879116845 /nfs/dbraw/zinc/11/68/45/879116845.db2.gz LBHMAODLMNFWDS-UHFFFAOYSA-N -2 3 392.811 3.540 20 0 GHADHL CCc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1Br ZINC001184654354 913344445 /nfs/dbraw/zinc/34/44/45/913344445.db2.gz XTTNZWUQJIKYBH-UHFFFAOYSA-N -2 3 398.278 3.819 20 0 GHADHL O=C([O-])c1cnc(C=Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)[n-]c1=O ZINC000670369818 891800368 /nfs/dbraw/zinc/80/03/68/891800368.db2.gz DDYQDJNKUPIZJB-RUDMXATFSA-N -2 3 395.802 3.957 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C)cc1C(=O)[O-] ZINC001185303712 913793141 /nfs/dbraw/zinc/79/31/41/913793141.db2.gz SDXWCPMPESRYQD-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc(C(=O)[O-])c1C ZINC000760339908 895225301 /nfs/dbraw/zinc/22/53/01/895225301.db2.gz NUSLSVLASRQMIY-UHFFFAOYSA-N -2 3 389.260 3.691 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)cc(C(=O)[O-])c1F ZINC000817357163 895529529 /nfs/dbraw/zinc/52/95/29/895529529.db2.gz GMYQMALXSVBSEA-UHFFFAOYSA-N -2 3 391.420 3.542 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(OC(F)(F)F)ccc1F ZINC001185906191 914166696 /nfs/dbraw/zinc/16/66/96/914166696.db2.gz NEYUQHAUEOSWFY-UHFFFAOYSA-N -2 3 393.314 3.532 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1cc(Br)ccc1Cl ZINC001189736315 916894961 /nfs/dbraw/zinc/89/49/61/916894961.db2.gz VYUQGGMJCHGYQZ-UHFFFAOYSA-N -2 3 398.065 3.657 20 0 GHADHL COc1ccc2cc(S(=O)(=O)[N-]c3nc4c(cccc4[O-])s3)ccc2c1 ZINC001191931099 918303996 /nfs/dbraw/zinc/30/39/96/918303996.db2.gz ARYWXFCNAAAMRX-UHFFFAOYSA-N -2 3 386.454 3.965 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C)c1 ZINC000677234574 924294250 /nfs/dbraw/zinc/29/42/50/924294250.db2.gz VPXIPLBIRCNBMY-UHFFFAOYSA-N -2 3 389.351 3.521 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)ccc1F ZINC000677234163 924294571 /nfs/dbraw/zinc/29/45/71/924294571.db2.gz ORUXTSVFQSXLOQ-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL CCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(OCCC)c1 ZINC000470264805 930497603 /nfs/dbraw/zinc/49/76/03/930497603.db2.gz BJKUZGAHRZCEDL-CLFYSBASSA-N -2 3 386.448 3.866 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccccc1CC(=O)[O-] ZINC000547565393 931118681 /nfs/dbraw/zinc/11/86/81/931118681.db2.gz MOMNKOXVCINSKI-UHFFFAOYSA-N -2 3 393.848 3.500 20 0 GHADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000547542100 974434470 /nfs/dbraw/zinc/43/44/70/974434470.db2.gz HOQTYSBVNZLXBV-UHFFFAOYSA-N -2 3 378.208 3.773 20 0 GHADHL CC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)cc1[O-] ZINC001589278757 985999698 /nfs/dbraw/zinc/99/96/98/985999698.db2.gz HQZBFIBHMRHTDX-UHFFFAOYSA-N -2 3 396.424 3.598 20 0 GHADHL CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2C1 ZINC001590974600 991113682 /nfs/dbraw/zinc/11/36/82/991113682.db2.gz UJKPIUBBWOWSQR-AWEZNQCLSA-N -2 3 388.489 3.546 20 0 GHADHL CCCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000470261453 1016757474 /nfs/dbraw/zinc/75/74/74/1016757474.db2.gz QQQSIAYPNGLXAA-NTMALXAHSA-N -2 3 386.448 3.866 20 0 GHADHL COc1c(F)ccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1F ZINC001215470943 1029225514 /nfs/dbraw/zinc/22/55/14/1029225514.db2.gz IYRVCYVWPJWDJN-UHFFFAOYSA-N -2 3 399.147 3.864 20 0 GHADHL CCC[C@@H](CC(=O)OC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001229775019 1033706100 /nfs/dbraw/zinc/70/61/00/1033706100.db2.gz WYGOYGUJFQRXMY-HNNXBMFYSA-N -2 3 398.411 3.982 20 0 GHADHL Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC001157817217 1033779844 /nfs/dbraw/zinc/77/98/44/1033779844.db2.gz BOVQMEYPKOIWPW-UHFFFAOYSA-N -2 3 386.757 3.785 20 0 GHADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc([O-])c(F)c(F)c1 ZINC001260462689 1045503715 /nfs/dbraw/zinc/50/37/15/1045503715.db2.gz DCBONDCWMRMFJV-UHFFFAOYSA-N -2 3 378.194 3.542 20 0 GHADHL O=S(=O)(Cc1cccc(Cl)c1)[N-]c1ccc(Br)cc1[O-] ZINC001260832688 1045701164 /nfs/dbraw/zinc/70/11/64/1045701164.db2.gz ZPZIYYYMCTXAPB-UHFFFAOYSA-N -2 3 376.659 3.750 20 0 GHADHL O=S(=O)([N-]c1ccc(Cl)c(CO)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260877005 1045734663 /nfs/dbraw/zinc/73/46/63/1045734663.db2.gz PHABZCMANHKMAF-UHFFFAOYSA-N -2 3 382.652 3.646 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)ccc1Cl ZINC001318212618 1054504525 /nfs/dbraw/zinc/50/45/25/1054504525.db2.gz YYLDMQKLPUWVAF-UHFFFAOYSA-N -2 3 394.811 3.769 20 0 GHADHL C[C@](CC(=O)[O-])(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC000735977645 598355438 /nfs/dbraw/zinc/35/54/38/598355438.db2.gz PXPXBKUDTZQDTF-GOSISDBHSA-N -2 3 391.859 3.520 20 0 GHADHL C[C@](CC(=O)[O-])(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC000735977645 598355439 /nfs/dbraw/zinc/35/54/39/598355439.db2.gz PXPXBKUDTZQDTF-GOSISDBHSA-N -2 3 391.859 3.520 20 0 GHADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC000738603976 600487983 /nfs/dbraw/zinc/48/79/83/600487983.db2.gz AODIUJPMMOVFKO-UHFFFAOYSA-N -2 3 383.853 3.693 20 0 GHADHL O=C([O-])c1ccc(-c2csc([N-]C(=O)c3cc(-c4ccccn4)no3)n2)cc1 ZINC000833308420 601267789 /nfs/dbraw/zinc/26/77/89/601267789.db2.gz PFKPLVNVLIJTOP-UHFFFAOYSA-N -2 3 392.396 3.811 20 0 GHADHL O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000833178031 601540776 /nfs/dbraw/zinc/54/07/76/601540776.db2.gz DKTUMXRSPSIWLQ-GOEBONIOSA-N -2 3 395.459 3.937 20 0 GHADHL Cc1sc(C(=O)[O-])cc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000833031536 601669751 /nfs/dbraw/zinc/66/97/51/601669751.db2.gz MROVBOQWEIOZFH-UHFFFAOYSA-N -2 3 398.469 3.882 20 0 GHADHL Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCCCC[C@@H]3C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000832990877 601883556 /nfs/dbraw/zinc/88/35/56/601883556.db2.gz GEJKWQCPFDMZEU-IRXDYDNUSA-N -2 3 398.463 3.703 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000547613719 602161487 /nfs/dbraw/zinc/16/14/87/602161487.db2.gz QNMNOISHGMIQAC-SJKOYZFVSA-N -2 3 391.420 3.621 20 0 GHADHL O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)c4ccccc43)cc2)cc1 ZINC000833361208 604676740 /nfs/dbraw/zinc/67/67/40/604676740.db2.gz QVWSTQFJGWEVMV-BKUYFWCQSA-N -2 3 399.402 3.774 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)c2)n1 ZINC000830209715 604812646 /nfs/dbraw/zinc/81/26/46/604812646.db2.gz ONDKNQODPWLCME-UHFFFAOYSA-N -2 3 381.363 3.501 20 0 GHADHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000833418398 604992165 /nfs/dbraw/zinc/99/21/65/604992165.db2.gz OUZLTSKZULMKKD-SFHVURJKSA-N -2 3 381.472 3.946 20 0 GHADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833505124 605123965 /nfs/dbraw/zinc/12/39/65/605123965.db2.gz WFRXOHPHFQQLRT-UHFFFAOYSA-N -2 3 392.452 3.563 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc(C(=O)[O-])c1C ZINC000471127920 834835495 /nfs/dbraw/zinc/83/54/95/834835495.db2.gz UPOHXRPJBKUOOQ-UHFFFAOYSA-N -2 3 393.436 3.873 20 0 GHADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000064937800 839628355 /nfs/dbraw/zinc/62/83/55/839628355.db2.gz XHTQYYFKQZFDBR-UHFFFAOYSA-N -2 3 395.355 3.937 20 0 GHADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)c[n-]1 ZINC000585730280 842215403 /nfs/dbraw/zinc/21/54/03/842215403.db2.gz HMBVDABFQIOGOF-UHFFFAOYSA-N -2 3 399.881 3.564 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000548525979 845357325 /nfs/dbraw/zinc/35/73/25/845357325.db2.gz TUYFTSSAMYLZRI-UHFFFAOYSA-N -2 3 389.351 3.603 20 0 GHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1F ZINC000583064532 849002665 /nfs/dbraw/zinc/00/26/65/849002665.db2.gz USKZRGNABURGKF-UHFFFAOYSA-N -2 3 399.268 3.622 20 0 GHADHL CCCOc1c(Cl)cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OC ZINC000504729303 850276210 /nfs/dbraw/zinc/27/62/10/850276210.db2.gz JAZXLCBRAMUBNU-AATRIKPKSA-N -2 3 392.839 3.739 20 0 GHADHL Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436681462 852189538 /nfs/dbraw/zinc/18/95/38/852189538.db2.gz RLQDDSLDWKEFHY-UHFFFAOYSA-N -2 3 398.440 3.570 20 0 GHADHL Cc1c(Cl)cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000519993898 853709116 /nfs/dbraw/zinc/70/91/16/853709116.db2.gz YZJNJUNQXGQLFM-UHFFFAOYSA-N -2 3 390.244 3.566 20 0 GHADHL CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000588696037 854363269 /nfs/dbraw/zinc/36/32/69/854363269.db2.gz DFKCBJTZJINNEL-UHFFFAOYSA-N -2 3 392.477 3.576 20 0 GHADHL Cc1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)ccc1Oc1cccnc1 ZINC000195503632 856437335 /nfs/dbraw/zinc/43/73/35/856437335.db2.gz MQZLGSVBTMYIOA-RMKNXTFCSA-N -2 3 391.427 3.762 20 0 GHADHL Cc1cc2cc([N-]S(=O)(=O)c3c(C)cc(C)c(CC(=O)[O-])c3C)ccc2[nH]1 ZINC000181218097 862802676 /nfs/dbraw/zinc/80/26/76/862802676.db2.gz OGKTVZNANQAOEG-UHFFFAOYSA-N -2 3 386.473 3.829 20 0 GHADHL CSCc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1 ZINC000542934722 856918948 /nfs/dbraw/zinc/91/89/48/856918948.db2.gz SKMDCHJLXWSANG-UHFFFAOYSA-N -2 3 393.530 3.903 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c2ccccc12 ZINC000057117065 857147390 /nfs/dbraw/zinc/14/73/90/857147390.db2.gz UJXKFWKCHUGBFQ-UHFFFAOYSA-N -2 3 389.404 3.877 20 0 GHADHL COc1ccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)c(Br)c1[O-] ZINC000761011157 857261895 /nfs/dbraw/zinc/26/18/95/857261895.db2.gz OCFXFMMKSPJPSP-XOKGJFMYSA-N -2 3 382.235 3.888 20 0 GHADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Br ZINC000486118570 857448413 /nfs/dbraw/zinc/44/84/13/857448413.db2.gz TVGRZDAOQNNASO-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)ccc1OCC(=O)[O-] ZINC000522147907 858670302 /nfs/dbraw/zinc/67/03/02/858670302.db2.gz JERBWXKJSFYRCT-UHFFFAOYSA-N -2 3 391.489 3.848 20 0 GHADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC000543663642 859284180 /nfs/dbraw/zinc/28/41/80/859284180.db2.gz OEUNPKIZSINDJP-UHFFFAOYSA-N -2 3 391.779 3.785 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C(F)(F)F)c1 ZINC000673493087 859570172 /nfs/dbraw/zinc/57/01/72/859570172.db2.gz SFNGNPUYZRFIFQ-JTQLQIEISA-N -2 3 391.367 3.531 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cc1Cl ZINC000327347969 859806305 /nfs/dbraw/zinc/80/63/05/859806305.db2.gz DUTAUVCOKOWEOA-UHFFFAOYSA-N -2 3 383.853 3.800 20 0 GHADHL C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761288985 860573796 /nfs/dbraw/zinc/57/37/96/860573796.db2.gz JERVGNUUPOGXFY-MRVPVSSYSA-N -2 3 394.301 3.663 20 0 GHADHL CC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000192634384 863350760 /nfs/dbraw/zinc/35/07/60/863350760.db2.gz LKMIYXNOOPISTE-GFCCVEGCSA-N -2 3 396.896 3.717 20 0 GHADHL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000614772158 866304572 /nfs/dbraw/zinc/30/45/72/866304572.db2.gz JTOIVVIWQWZLFW-UHFFFAOYSA-N -2 3 376.821 3.696 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000793379468 882141399 /nfs/dbraw/zinc/14/13/99/882141399.db2.gz CHUJNSDACMJZOW-UHFFFAOYSA-N -2 3 381.425 3.558 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CF)c2ccccc2)c(Cl)cc1Cl ZINC001192449939 870411918 /nfs/dbraw/zinc/41/19/18/870411918.db2.gz OUZXPVVMDNUUNT-CYBMUJFWSA-N -2 3 392.235 3.681 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c(C)c1 ZINC000541077203 872865238 /nfs/dbraw/zinc/86/52/38/872865238.db2.gz MTFTVWBOFGDKRW-UHFFFAOYSA-N -2 3 391.489 3.747 20 0 GHADHL CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198780060 874630172 /nfs/dbraw/zinc/63/01/72/874630172.db2.gz ZFJMMVPFHCSABT-UHFFFAOYSA-N -2 3 399.472 3.554 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)ccc1C(=O)[O-] ZINC000476755709 882995758 /nfs/dbraw/zinc/99/57/58/882995758.db2.gz HVPAVUBHUQMVCO-UHFFFAOYSA-N -2 3 377.462 3.919 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c1Cl ZINC000615179542 879704983 /nfs/dbraw/zinc/70/49/83/879704983.db2.gz HOAMCWDFYJZKJP-JTQLQIEISA-N -2 3 394.301 3.858 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)cc1C(=O)[O-] ZINC000563994508 894414347 /nfs/dbraw/zinc/41/43/47/894414347.db2.gz MWEAXUYJMJDQSM-UHFFFAOYSA-N -2 3 377.462 3.682 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCCC2 ZINC000817358352 895562067 /nfs/dbraw/zinc/56/20/67/895562067.db2.gz WWJDYNXXRJQNMP-UHFFFAOYSA-N -2 3 391.420 3.542 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1cnc(Cl)c(Br)c1 ZINC001186337294 914484857 /nfs/dbraw/zinc/48/48/57/914484857.db2.gz SOHJNCKXTYFPSC-UHFFFAOYSA-N -2 3 398.065 3.657 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000577152970 902544299 /nfs/dbraw/zinc/54/42/99/902544299.db2.gz OMSHBSGDDORNDU-UHFFFAOYSA-N -2 3 377.462 3.602 20 0 GHADHL O=C(CCCCCC(=O)Nc1cccc(F)c1[O-])Nc1cccc(F)c1[O-] ZINC000628960565 906392931 /nfs/dbraw/zinc/39/29/31/906392931.db2.gz NHXPAYWBSZUKSX-UHFFFAOYSA-N -2 3 378.375 3.904 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)cc1F ZINC000629332008 906715000 /nfs/dbraw/zinc/71/50/00/906715000.db2.gz BBJQXPYOQBDOBR-UHFFFAOYSA-N -2 3 397.424 3.512 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cc1OC ZINC000629331582 906716622 /nfs/dbraw/zinc/71/66/22/906716622.db2.gz SKIRPZJNHMJKRE-UHFFFAOYSA-N -2 3 393.461 3.545 20 0 GHADHL CCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000748690443 923785221 /nfs/dbraw/zinc/78/52/21/923785221.db2.gz BGJOUZVMQFWPKD-UHFFFAOYSA-N -2 3 383.853 3.557 20 0 GHADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1 ZINC000753773752 929529655 /nfs/dbraw/zinc/52/96/55/929529655.db2.gz CBYWYILWCSQDFN-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000759090512 930269844 /nfs/dbraw/zinc/26/98/44/930269844.db2.gz PRJIDSZEQIIRHY-UHFFFAOYSA-N -2 3 383.853 3.855 20 0 GHADHL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000013264829 957002342 /nfs/dbraw/zinc/00/23/42/957002342.db2.gz WUITYSNRVMMOOD-UHFFFAOYSA-N -2 3 390.642 3.602 20 0 GHADHL COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](C(=O)[O-])c1cccc(C)c1 ZINC001594096658 958410690 /nfs/dbraw/zinc/41/06/90/958410690.db2.gz LTLCOEFWGMHMRR-HNNXBMFYSA-N -2 3 383.778 3.691 20 0 GHADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(=O)[O-] ZINC001588653195 960401578 /nfs/dbraw/zinc/40/15/78/960401578.db2.gz SEASSRSGJCZQCN-JTQLQIEISA-N -2 3 390.914 3.508 20 0 GHADHL CC(C)c1ccc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c([O-])c1 ZINC001591941937 976463976 /nfs/dbraw/zinc/46/39/76/976463976.db2.gz KSIYGJZAVQHNPU-FQEVSTJZSA-N -2 3 375.852 3.985 20 0 GHADHL C[C@H](CN(Cc1ccccc1)Cc1cccc([O-])c1Br)C(=O)[O-] ZINC001592604631 978545165 /nfs/dbraw/zinc/54/51/65/978545165.db2.gz JRGUBBXRGIESMD-CYBMUJFWSA-N -2 3 378.266 3.878 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1OC(C)C ZINC000544845494 1015092090 /nfs/dbraw/zinc/09/20/90/1015092090.db2.gz ZQTJIFZBCJWBJA-UHFFFAOYSA-N -2 3 393.461 3.598 20 0 GHADHL CC(=O)Nc1nc(C(=O)[N-]c2ccc(Cl)cc2SCCC(=O)[O-])cs1 ZINC001589222951 985734858 /nfs/dbraw/zinc/73/48/58/985734858.db2.gz GVNQMJCFGOKNNO-UHFFFAOYSA-N -2 3 399.881 3.574 20 0 GHADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC001589757465 988075314 /nfs/dbraw/zinc/07/53/14/988075314.db2.gz YIAFOUJIUPWXFO-LLVKDONJSA-N -2 3 387.807 3.684 20 0 GHADHL C[C@@H]1CC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C[C@@H](C)C1 ZINC001594223209 998860549 /nfs/dbraw/zinc/86/05/49/998860549.db2.gz QCBZRGUIBZNBKF-UWVGGRQHSA-N -2 3 377.865 3.528 20 0 GHADHL COc1ccc([C@@H](C)Oc2cc([O-])ccc2C(=O)c2ccc(O)cc2[O-])cn1 ZINC001228121642 1032796075 /nfs/dbraw/zinc/79/60/75/1032796075.db2.gz GPMZXEIADWGNMW-GFCCVEGCSA-N -2 3 381.384 3.578 20 0 GHADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000570010033 1019548120 /nfs/dbraw/zinc/54/81/20/1019548120.db2.gz OWWCADXHPAHFFV-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL CC(=O)c1ccc(F)c(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1 ZINC001215471499 1029226334 /nfs/dbraw/zinc/22/63/34/1029226334.db2.gz ZQGGJECQKSDRED-UHFFFAOYSA-N -2 3 393.168 3.919 20 0 GHADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC001149871255 1030334588 /nfs/dbraw/zinc/33/45/88/1030334588.db2.gz CLRGVXBUTMBBON-UHFFFAOYSA-N -2 3 391.423 3.692 20 0 GHADHL CC(C)c1cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc(C(C)(C)C)n1 ZINC001157159502 1033439330 /nfs/dbraw/zinc/43/93/30/1033439330.db2.gz JQUGWWSWTXLIPN-UHFFFAOYSA-N -2 3 389.436 3.982 20 0 GHADHL O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(-c2cc(F)cc(F)c2[O-])nc1 ZINC001243502048 1036184490 /nfs/dbraw/zinc/18/44/90/1036184490.db2.gz QWXGXROFDZONIS-UHFFFAOYSA-N -2 3 398.337 3.811 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1Cl)c1cc(Br)c(F)cc1F ZINC001260330121 1045464161 /nfs/dbraw/zinc/46/41/61/1045464161.db2.gz FDUPRQLIGDBBPU-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL COc1cccc(-c2ccc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)cc2)c1 ZINC001260398984 1045487249 /nfs/dbraw/zinc/48/72/49/1045487249.db2.gz LVANZFDZSIJFFB-UHFFFAOYSA-N -2 3 399.424 3.567 20 0 GHADHL O=S(=O)([N-]c1ccc2nnsc2c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260877565 1045734042 /nfs/dbraw/zinc/73/40/42/1045734042.db2.gz ZOANPYRNYWAMHL-UHFFFAOYSA-N -2 3 376.246 3.505 20 0 GHADHL O=S(=O)([N-]c1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1cccc(Cl)c1[O-] ZINC000451008041 450602139 /nfs/dbraw/zinc/60/21/39/450602139.db2.gz FETDPOYAMBVLHD-CVEARBPZSA-N -2 3 397.880 3.529 20 0 GHADHL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000436478076 450602631 /nfs/dbraw/zinc/60/26/31/450602631.db2.gz OKFDANJOUUTQLT-UHFFFAOYSA-N -2 3 391.836 3.737 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)c2ccccc2)o1 ZINC000740172679 599772124 /nfs/dbraw/zinc/77/21/24/599772124.db2.gz DLBYFMFVXSUFPD-KRWDZBQOSA-N -2 3 385.441 3.630 20 0 GHADHL Cc1cc(C(=O)[O-])c2sc([N-]C(=O)c3cc(-c4ccccc4)no3)nc2n1 ZINC000738345541 600049581 /nfs/dbraw/zinc/04/95/81/600049581.db2.gz GIBZDXAFDHTZSX-UHFFFAOYSA-N -2 3 380.385 3.605 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)cc1C(=O)[O-] ZINC000057126404 600812037 /nfs/dbraw/zinc/81/20/37/600812037.db2.gz BDLRUOFBDCLNKT-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000833178033 601540359 /nfs/dbraw/zinc/54/03/59/601540359.db2.gz DKTUMXRSPSIWLQ-HOCLYGCPSA-N -2 3 395.459 3.937 20 0 GHADHL O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000833178026 601540390 /nfs/dbraw/zinc/54/03/90/601540390.db2.gz DKTUMXRSPSIWLQ-GDBMZVCRSA-N -2 3 395.459 3.937 20 0 GHADHL CCCCc1nc2ccc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])cc2[nH]1 ZINC000829441487 601863001 /nfs/dbraw/zinc/86/30/01/601863001.db2.gz VGXTVXNFCQZSJK-UHFFFAOYSA-N -2 3 391.424 3.544 20 0 GHADHL C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000825246572 604298906 /nfs/dbraw/zinc/29/89/06/604298906.db2.gz SKTVXIAQYKTWKY-LSDHHAIUSA-N -2 3 384.432 3.693 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc(C(=O)[O-])c1C ZINC000471128372 834844848 /nfs/dbraw/zinc/84/48/48/834844848.db2.gz BVHCRBSFBWARMH-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1F ZINC000547870139 837320023 /nfs/dbraw/zinc/32/00/23/837320023.db2.gz BAOVDXFWNHCESC-HNNXBMFYSA-N -2 3 397.811 3.638 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)ccc1C(=O)[O-] ZINC000728266093 838263392 /nfs/dbraw/zinc/26/33/92/838263392.db2.gz OHOOXILQMNLDEW-UHFFFAOYSA-N -2 3 375.446 3.815 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)cc1 ZINC000581271399 840987952 /nfs/dbraw/zinc/98/79/52/840987952.db2.gz FMVLSVFEKZDHRS-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1)C1CCCC1 ZINC000656622975 841590638 /nfs/dbraw/zinc/59/06/38/841590638.db2.gz BCUQNRCGKHEYSV-ZDUSSCGKSA-N -2 3 396.292 3.639 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1Br ZINC000319841329 842767328 /nfs/dbraw/zinc/76/73/28/842767328.db2.gz DUHRUSAVVPSEMM-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC000067946052 843414559 /nfs/dbraw/zinc/41/45/59/843414559.db2.gz BQTLHOGFBYYUPQ-UHFFFAOYSA-N -2 3 391.342 3.663 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CCC(=O)[O-])c1ccccc1 ZINC000548537008 845422812 /nfs/dbraw/zinc/42/28/12/845422812.db2.gz FESAZFLOAHSSEI-MRXNPFEDSA-N -2 3 391.420 3.765 20 0 GHADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000583128291 849132819 /nfs/dbraw/zinc/13/28/19/849132819.db2.gz XXUJTMHTSLGWNH-GWCFXTLKSA-N -2 3 380.293 3.695 20 0 GHADHL Cc1csc2nc(-c3ccc(I)c([O-])c3)[n-]c(=O)c12 ZINC000504474733 850091654 /nfs/dbraw/zinc/09/16/54/850091654.db2.gz WNFWTHZBQNZOCA-UHFFFAOYSA-N -2 3 384.198 3.683 20 0 GHADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1Oc1cccnc1 ZINC000504741595 850266478 /nfs/dbraw/zinc/26/64/78/850266478.db2.gz LZCOGLADOAYQNO-VURMDHGXSA-N -2 3 377.400 3.784 20 0 GHADHL O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436474404 851961970 /nfs/dbraw/zinc/96/19/70/851961970.db2.gz CWLXHICDVRDWNG-UHFFFAOYSA-N -2 3 384.335 3.867 20 0 GHADHL O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436476528 851965681 /nfs/dbraw/zinc/96/56/81/851965681.db2.gz JDTBPZUQWSTVSK-UHFFFAOYSA-N -2 3 383.351 3.602 20 0 GHADHL CCOC(=O)c1cnc(/C=C\c2cc(Cl)c([O-])c(OCC)c2)c(C(=O)[O-])c1 ZINC000436728022 852267435 /nfs/dbraw/zinc/26/74/35/852267435.db2.gz GRUCCYRPGJPQNT-WAYWQWQTSA-N -2 3 391.807 3.885 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)cc1 ZINC000604738156 862457206 /nfs/dbraw/zinc/45/72/06/862457206.db2.gz MKWWKJCICVKQBL-UHFFFAOYSA-N -2 3 375.446 3.897 20 0 GHADHL CC[C@H](c1n[n-]c(=NC(=O)c2cc(-c3ccco3)[n-]n2)s1)c1ccccc1 ZINC000592803283 857089662 /nfs/dbraw/zinc/08/96/62/857089662.db2.gz OQSFXNOLYKNNQU-ZDUSSCGKSA-N -2 3 379.445 3.737 20 0 GHADHL O=C([O-])c1cnc(C=Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)[n-]c1=O ZINC000670369819 858279041 /nfs/dbraw/zinc/27/90/41/858279041.db2.gz DDYQDJNKUPIZJB-WTKPLQERSA-N -2 3 395.802 3.957 20 0 GHADHL Cc1nc(C=Cc2c(F)ccc(Br)c2F)[n-]c(=O)c1CCC(=O)[O-] ZINC000443449203 858685030 /nfs/dbraw/zinc/68/50/30/858685030.db2.gz ZHFSTSXHPXRXKV-KXFIGUGUSA-N -2 3 399.191 3.719 20 0 GHADHL C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000673488910 859556324 /nfs/dbraw/zinc/55/63/24/859556324.db2.gz YGCVYZKRQHMYOB-NSCUHMNNSA-N -2 3 381.837 3.637 20 0 GHADHL CCOC(=O)c1ccc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)c([O-])c1 ZINC000736420063 865202930 /nfs/dbraw/zinc/20/29/30/865202930.db2.gz DQMNZEOCSZSVSO-KTKRTIGZSA-N -2 3 381.837 3.635 20 0 GHADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000479262041 867450908 /nfs/dbraw/zinc/45/09/08/867450908.db2.gz URTHYILREKZZML-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c(C)c1 ZINC000793366741 882130296 /nfs/dbraw/zinc/13/02/96/882130296.db2.gz FRQZGEASVXHKDF-UHFFFAOYSA-N -2 3 381.425 3.730 20 0 GHADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1Cl ZINC000427288233 882265971 /nfs/dbraw/zinc/26/59/71/882265971.db2.gz KNUWCTROCYCWPL-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000745980151 869924521 /nfs/dbraw/zinc/92/45/21/869924521.db2.gz YATGUMUNNJUTPU-UHFFFAOYSA-N -2 3 381.425 3.750 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)c(F)cc1F ZINC001195257792 872287189 /nfs/dbraw/zinc/28/71/89/872287189.db2.gz IEIWMISDWXHIJL-QGZVFWFLSA-N -2 3 399.390 3.622 20 0 GHADHL Cc1ccc(CC(C)(C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001195263703 872291618 /nfs/dbraw/zinc/29/16/18/872291618.db2.gz FLBPEFDPWMDQIO-UHFFFAOYSA-N -2 3 397.443 3.519 20 0 GHADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000542237566 875202993 /nfs/dbraw/zinc/20/29/93/875202993.db2.gz IIRMCAPDWBQGCQ-CYBMUJFWSA-N -2 3 389.473 3.779 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1cccc(F)c1Br ZINC001201780462 875877462 /nfs/dbraw/zinc/87/74/62/875877462.db2.gz AIAZRZZHWGAYIT-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1C(=O)[O-] ZINC000137677101 888363693 /nfs/dbraw/zinc/36/36/93/888363693.db2.gz IYCSUOKWZUWFBJ-UHFFFAOYSA-N -2 3 386.429 3.711 20 0 GHADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc2)ccn1 ZINC001184699189 913367524 /nfs/dbraw/zinc/36/75/24/913367524.db2.gz MTYFVAXIGJPZRA-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000563933712 894344696 /nfs/dbraw/zinc/34/46/96/894344696.db2.gz BSLQTPXNRIIXKQ-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000325439290 895021518 /nfs/dbraw/zinc/02/15/18/895021518.db2.gz LDAZPLXJJISFTA-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc([O-])cc1F ZINC001136433754 897814714 /nfs/dbraw/zinc/81/47/14/897814714.db2.gz YMHDSSBXNKBODS-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3nc(Cl)sc3c2)c(F)c1 ZINC000772864711 898738584 /nfs/dbraw/zinc/73/85/84/898738584.db2.gz OSQILKRYUYDMFG-UHFFFAOYSA-N -2 3 386.813 3.588 20 0 GHADHL Cc1cc(OC(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186133619 914322408 /nfs/dbraw/zinc/32/24/08/914322408.db2.gz RWLCQMYNZDWKPG-UHFFFAOYSA-N -2 3 393.314 3.532 20 0 GHADHL CCC(CC)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001186193058 914353476 /nfs/dbraw/zinc/35/34/76/914353476.db2.gz KEDVIZHGCNBUCR-UHFFFAOYSA-N -2 3 381.425 3.892 20 0 GHADHL CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(OC)c(C(=O)[O-])cc2F)c1 ZINC000629325733 906706192 /nfs/dbraw/zinc/70/61/92/906706192.db2.gz QMYXAWXKZKOHNO-LLVKDONJSA-N -2 3 397.424 3.511 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)ccc1[S-] ZINC001187011960 914940613 /nfs/dbraw/zinc/94/06/13/914940613.db2.gz TZVMDBSXGLQBGU-UHFFFAOYSA-N -2 3 392.271 3.686 20 0 GHADHL O=S(=O)([N-]c1cncc([O-])c1)c1c(Cl)cc(Br)cc1Cl ZINC001187504240 915319336 /nfs/dbraw/zinc/31/93/36/915319336.db2.gz NABVKIJIKKZBNW-UHFFFAOYSA-N -2 3 398.065 3.657 20 0 GHADHL CC(C)Oc1c([N-]S(=O)(=O)/C=C/c2ccccc2F)cccc1C(=O)[O-] ZINC000799925348 933171047 /nfs/dbraw/zinc/17/10/47/933171047.db2.gz KKYHMIOCIQMGFM-ZHACJKMWSA-N -2 3 379.409 3.724 20 0 GHADHL CC(C)(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000326815071 971331377 /nfs/dbraw/zinc/33/13/77/971331377.db2.gz WISVQBMBSXRUTQ-JQWIXIFHSA-N -2 3 375.437 3.546 20 0 GHADHL C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)c3c[n-]c4ccccc4c3=O)sc2[C@@H](C)O1 ZINC001589412181 954524453 /nfs/dbraw/zinc/52/44/53/954524453.db2.gz WQXVSPMGESBSFE-NXEZZACHSA-N -2 3 398.440 3.562 20 0 GHADHL O=C([O-])c1cccc(CN2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)c1 ZINC001574807348 957861678 /nfs/dbraw/zinc/86/16/78/957861678.db2.gz HSLIKFDYLCRAQI-OAHLLOKOSA-N -2 3 392.377 3.557 20 0 GHADHL Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC001344593176 962215116 /nfs/dbraw/zinc/21/51/16/962215116.db2.gz UISCCUYKCFAZCG-KRWDZBQOSA-N -2 3 388.439 3.645 20 0 GHADHL COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@](C)(C(=O)[O-])c1ccccc1 ZINC001574212316 962917327 /nfs/dbraw/zinc/91/73/27/962917327.db2.gz CXCGKOPGUCYGEB-KRWDZBQOSA-N -2 3 383.778 3.557 20 0 GHADHL CC(C)c1ccc([C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C(C)C)cc1 ZINC001591948383 976499596 /nfs/dbraw/zinc/49/95/96/976499596.db2.gz GKXWQVYZCYQTME-HNNXBMFYSA-N -2 3 382.507 3.640 20 0 GHADHL CCOc1cc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)cc(Cl)c1[O-] ZINC001597031800 986451145 /nfs/dbraw/zinc/45/11/45/986451145.db2.gz OEBAPCXYAMHKDM-UHFFFAOYSA-N -2 3 396.896 3.526 20 0 GHADHL CCc1cccc(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2C)c1[O-] ZINC001597575730 988362021 /nfs/dbraw/zinc/36/20/21/988362021.db2.gz DZHKVANRJMYZEO-UHFFFAOYSA-N -2 3 378.222 3.976 20 0 GHADHL C[C@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001594363771 999373264 /nfs/dbraw/zinc/37/32/64/999373264.db2.gz LCQNACRWTJMXEF-QWRGUYRKSA-N -2 3 377.865 3.672 20 0 GHADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@@H]1COCc2ccccc21 ZINC001228123474 1032797743 /nfs/dbraw/zinc/79/77/43/1032797743.db2.gz TVDMUCVPSSZILW-OAQYLSRUSA-N -2 3 378.380 3.685 20 0 GHADHL CC(=O)[C@H](Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC001228123114 1032798331 /nfs/dbraw/zinc/79/83/31/1032798331.db2.gz RJEPPBWZWWUXNV-QFIPXVFZSA-N -2 3 378.380 3.744 20 0 GHADHL O=C(Nc1c([O-])cc(Br)cc1Cl)c1csc(=NC2CC2)[n-]1 ZINC000576095069 1019978368 /nfs/dbraw/zinc/97/83/68/1019978368.db2.gz PMSVFDGCVVVPSV-UHFFFAOYSA-N -2 3 388.674 3.513 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])c1ccccc1 ZINC000578595525 1020347769 /nfs/dbraw/zinc/34/77/69/1020347769.db2.gz VBZRHKJWYUIQKG-HNNXBMFYSA-N -2 3 393.848 3.541 20 0 GHADHL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000754260723 1022566418 /nfs/dbraw/zinc/56/64/18/1022566418.db2.gz UGKCWVNKURZMBM-LUAWRHEFSA-N -2 3 379.409 3.725 20 0 GHADHL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000755978079 1023462298 /nfs/dbraw/zinc/46/22/98/1023462298.db2.gz FITYREDBIFBMFP-ZHACJKMWSA-N -2 3 395.864 3.778 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(Nc3cc(=O)[n-]c(Cl)n3)c2)cc1 ZINC001211015546 1027755231 /nfs/dbraw/zinc/75/52/31/1027755231.db2.gz DKONCQKBVXPZFT-UHFFFAOYSA-N -2 3 390.852 3.688 20 0 GHADHL COC([O-])=NC(=S)N(c1ccccc1N)c1ccc(C(=O)[O-])c(C)c1Cl ZINC001215694439 1029352765 /nfs/dbraw/zinc/35/27/65/1029352765.db2.gz WFSLJASBASIXNM-UHFFFAOYSA-N -2 3 393.852 3.708 20 0 GHADHL O=c1c(O[C@H]2COc3cnccc32)c(-c2ccccc2)oc2cc([O-])cc([O-])c21 ZINC001229773714 1033704246 /nfs/dbraw/zinc/70/42/46/1033704246.db2.gz MATBKYKBHCWTKM-SFHVURJKSA-N -2 3 389.363 3.779 20 0 GHADHL COC(=O)[C@@]1(C)C[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)C1 ZINC001229774773 1033705113 /nfs/dbraw/zinc/70/51/13/1033705113.db2.gz VERSGZHDPSQIOQ-XLOAEROZSA-N -2 3 396.395 3.592 20 0 GHADHL O=c1oc2cc([O-])ccc2cc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257450924 1044001975 /nfs/dbraw/zinc/00/19/75/1044001975.db2.gz IOWXKRWRQXNTKF-UHFFFAOYSA-N -2 3 392.241 3.668 20 0 GHADHL CC(C)CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2[O-])o1 ZINC001258356826 1044521626 /nfs/dbraw/zinc/52/16/26/1044521626.db2.gz NKNJMUFOWVWSBU-UHFFFAOYSA-N -2 3 387.461 3.832 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2OC(F)(F)F)cc1 ZINC001260227929 1045420321 /nfs/dbraw/zinc/42/03/21/1045420321.db2.gz NCYSUQXAQCKULN-UHFFFAOYSA-N -2 3 395.742 3.738 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1ccc(C(F)(F)F)cc1Cl ZINC001260319466 1045459938 /nfs/dbraw/zinc/45/99/38/1045459938.db2.gz ZBOWNIIPCCMSPH-UHFFFAOYSA-N -2 3 387.166 3.914 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1Cl)c1ccc(Br)cc1F ZINC001260378985 1045482504 /nfs/dbraw/zinc/48/25/04/1045482504.db2.gz WMRFVLXCWAYYCT-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1c([S-])cccc1Cl ZINC001261060653 1045880381 /nfs/dbraw/zinc/88/03/81/1045880381.db2.gz YORQFJAXSUXIJZ-UHFFFAOYSA-N -2 3 398.314 3.931 20 0 GHADHL Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(Br)c([O-])c3)c[n-]c12 ZINC001328592339 1050553265 /nfs/dbraw/zinc/55/32/65/1050553265.db2.gz ZOOVPBISBYUFHN-UHFFFAOYSA-N -2 3 391.196 3.696 20 0 GHADHL O=C([O-])[C@H]1CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])c2ccccc21 ZINC000739613880 600464898 /nfs/dbraw/zinc/46/48/98/600464898.db2.gz IUHRXEQDURLKBU-IBGZPJMESA-N -2 3 389.407 3.800 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)cs1 ZINC000833302534 600758374 /nfs/dbraw/zinc/75/83/74/600758374.db2.gz MOLWSYFCFQHRIO-LLVKDONJSA-N -2 3 399.799 3.682 20 0 GHADHL Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000738287174 601049775 /nfs/dbraw/zinc/04/97/75/601049775.db2.gz BATLYBHHOIUOCK-UHFFFAOYSA-N -2 3 395.502 3.841 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)ccc1F ZINC000050534641 601328358 /nfs/dbraw/zinc/32/83/58/601328358.db2.gz DUPRHLOHVNRHHL-UHFFFAOYSA-N -2 3 388.376 3.512 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000466281727 601475679 /nfs/dbraw/zinc/47/56/79/601475679.db2.gz VRJJKTFETXCDPF-UHFFFAOYSA-N -2 3 379.409 3.564 20 0 GHADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1 ZINC000610194288 834996887 /nfs/dbraw/zinc/99/68/87/834996887.db2.gz WXSNRSLRSPZEKS-UHFFFAOYSA-N -2 3 395.502 3.512 20 0 GHADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[O-])no1 ZINC000430979531 843366049 /nfs/dbraw/zinc/36/60/49/843366049.db2.gz WOBMIUWNPPYIJK-UHFFFAOYSA-N -2 3 378.372 3.638 20 0 GHADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000583128294 849132673 /nfs/dbraw/zinc/13/26/73/849132673.db2.gz XXUJTMHTSLGWNH-GXFFZTMASA-N -2 3 380.293 3.695 20 0 GHADHL Cc1nc(C=CC2=Cc3cc(Cl)cc(Cl)c3OC2)[n-]c(=O)c1CC(=O)[O-] ZINC000504734091 850263514 /nfs/dbraw/zinc/26/35/14/850263514.db2.gz WTPXLQSWOLERNW-IHWYPQMZSA-N -2 3 393.226 3.914 20 0 GHADHL Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000507012950 852451110 /nfs/dbraw/zinc/45/11/10/852451110.db2.gz NINHMMUQSMOXPW-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL CCC(CC)c1cc(C(=O)[N-]c2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)on1 ZINC000436911880 852477668 /nfs/dbraw/zinc/47/76/68/852477668.db2.gz BHZZAEKNFZSHNS-UHFFFAOYSA-N -2 3 375.816 3.975 20 0 GHADHL CCCOc1c(Cl)cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000670369948 858298213 /nfs/dbraw/zinc/29/82/13/858298213.db2.gz MHPIXQBSSCMGQG-WAYWQWQTSA-N -2 3 378.812 3.892 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c(C)c1 ZINC000013345400 859886609 /nfs/dbraw/zinc/88/66/09/859886609.db2.gz RLKKTOWGWAGASU-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(Cl)c3)ccc2O1 ZINC000484526934 860077555 /nfs/dbraw/zinc/07/75/55/860077555.db2.gz MJMVEFPHDHXXDY-UHFFFAOYSA-N -2 3 381.837 3.553 20 0 GHADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000793379540 882141684 /nfs/dbraw/zinc/14/16/84/882141684.db2.gz FAYCSUMFMQFNLP-UHFFFAOYSA-N -2 3 381.425 3.558 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)ccc1C(F)(F)F ZINC000427309698 882273052 /nfs/dbraw/zinc/27/30/52/882273052.db2.gz QRLGZSJAXWFZQU-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1Oc1ccncc1 ZINC000447269010 871294910 /nfs/dbraw/zinc/29/49/10/871294910.db2.gz ZCQVBUUEDOJWBX-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ncc([O-])cc2Br)c2ccccc12 ZINC001193834923 871335257 /nfs/dbraw/zinc/33/52/57/871335257.db2.gz WBWGVUZBFXWERJ-UHFFFAOYSA-N -2 3 393.262 3.812 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1cc(Br)ccc1F ZINC001195490972 872441712 /nfs/dbraw/zinc/44/17/12/872441712.db2.gz JPRPNDUZSUMTED-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](CC)C(=O)[O-])cc2)c(C)c1 ZINC000463777065 872550579 /nfs/dbraw/zinc/55/05/79/872550579.db2.gz INAXEANOPXSRAJ-MRXNPFEDSA-N -2 3 391.489 3.848 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(C)C)cc1CC(=O)[O-] ZINC000530146591 877168707 /nfs/dbraw/zinc/16/87/07/877168707.db2.gz LUUIWOMCJRYVJZ-UHFFFAOYSA-N -2 3 397.880 3.900 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)c1 ZINC000538296137 879198728 /nfs/dbraw/zinc/19/87/28/879198728.db2.gz ILMQMCVAKNTETE-UHFFFAOYSA-N -2 3 388.470 3.748 20 0 GHADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC000790386060 879656361 /nfs/dbraw/zinc/65/63/61/879656361.db2.gz JSPMKUGESWXKIU-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2F)cc1C(=O)[O-] ZINC001184696887 913363298 /nfs/dbraw/zinc/36/32/98/913363298.db2.gz LBYAJLWOGPBGFE-UHFFFAOYSA-N -2 3 393.314 3.532 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OCC(C)C)cc1C(=O)[O-] ZINC001184702762 913369690 /nfs/dbraw/zinc/36/96/90/913369690.db2.gz CBDXUQITMWYMOQ-UHFFFAOYSA-N -2 3 381.425 3.668 20 0 GHADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000560417103 894295050 /nfs/dbraw/zinc/29/50/50/894295050.db2.gz KGVWUWYUQDYWPC-SECBINFHSA-N -2 3 387.807 3.671 20 0 GHADHL O=C([O-])c1nc(C=Cc2ccc(-c3nnn[n-]3)cc2)sc1-c1ccccc1 ZINC000826462024 900680738 /nfs/dbraw/zinc/68/07/38/900680738.db2.gz MHINDHRLVLTRCB-DHZHZOJOSA-N -2 3 375.413 3.859 20 0 GHADHL O=C([O-])c1nc(C=Cc2ccc(-c3nn[n-]n3)cc2)sc1-c1ccccc1 ZINC000826462024 900680744 /nfs/dbraw/zinc/68/07/44/900680744.db2.gz MHINDHRLVLTRCB-DHZHZOJOSA-N -2 3 375.413 3.859 20 0 GHADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000363069658 917719870 /nfs/dbraw/zinc/71/98/70/917719870.db2.gz VUUCUINOGCLPTN-UHFFFAOYSA-N -2 3 375.424 3.986 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)ccc1OCCCC(=O)[O-] ZINC000678477856 924791159 /nfs/dbraw/zinc/79/11/59/924791159.db2.gz BJEYZPZUWSBEGP-UHFFFAOYSA-N -2 3 389.473 3.917 20 0 GHADHL CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])cc1 ZINC000680488091 925493402 /nfs/dbraw/zinc/49/34/02/925493402.db2.gz GVXYJWUZNXWLEY-UHFFFAOYSA-N -2 3 392.502 3.508 20 0 GHADHL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000759695217 930455545 /nfs/dbraw/zinc/45/55/45/930455545.db2.gz BMZMPEBBZARIIP-UHFFFAOYSA-N -2 3 390.848 3.823 20 0 GHADHL CC(C)Oc1c([N-]S(=O)(=O)C2=Cc3ccccc3CC2)cccc1C(=O)[O-] ZINC000799125996 932884278 /nfs/dbraw/zinc/88/42/78/932884278.db2.gz XCLKNWHBIBUOGV-UHFFFAOYSA-N -2 3 387.457 3.901 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(F)cc1Cl ZINC001259218513 960677323 /nfs/dbraw/zinc/67/73/23/960677323.db2.gz BXEAMDYUOCYNTR-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL CC(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2OC(F)(F)F)c([O-])c1 ZINC001591941756 976462869 /nfs/dbraw/zinc/46/28/69/976462869.db2.gz GPGGUKUHEYENDF-MRXNPFEDSA-N -2 3 397.349 3.970 20 0 GHADHL COCOc1ccccc1-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215471224 1029226786 /nfs/dbraw/zinc/22/67/86/1029226786.db2.gz RIUOLMLZLXELTQ-UHFFFAOYSA-N -2 3 393.193 3.560 20 0 GHADHL COC1CCC(Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)CC1 ZINC001225626758 1031517069 /nfs/dbraw/zinc/51/70/69/1031517069.db2.gz VEJRUKWKSAWDCM-UHFFFAOYSA-N -2 3 398.411 3.913 20 0 GHADHL CCCCOC(=O)[C@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001229771761 1033701957 /nfs/dbraw/zinc/70/19/57/1033701957.db2.gz PUHKKNKYYVUAMB-ZDUSSCGKSA-N -2 3 398.411 3.982 20 0 GHADHL O=S(=O)([N-]c1nc2ccccc2nc1-c1cccc([O-])c1F)c1ccccc1 ZINC001243543579 1036203628 /nfs/dbraw/zinc/20/36/28/1036203628.db2.gz GRJOPZOIRZJBRR-UHFFFAOYSA-N -2 3 395.415 3.942 20 0 GHADHL O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240695759 1042950285 /nfs/dbraw/zinc/95/02/85/1042950285.db2.gz QMSFMAJVBKMSBT-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)cc1[S-])c1cc(F)cc(F)c1 ZINC001259311871 1045071404 /nfs/dbraw/zinc/07/14/04/1045071404.db2.gz UJWFVHYNBJVYAU-UHFFFAOYSA-N -2 3 380.235 3.817 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1ccc(Br)cc1F ZINC001260379128 1045482635 /nfs/dbraw/zinc/48/26/35/1045482635.db2.gz HVYXBVSTZOWTCX-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL COc1ccccc1-c1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC001260398872 1045486999 /nfs/dbraw/zinc/48/69/99/1045486999.db2.gz FPWVFXFPAULUCL-UHFFFAOYSA-N -2 3 399.424 3.567 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3)nc2)c1 ZINC001337239960 1052430754 /nfs/dbraw/zinc/43/07/54/1052430754.db2.gz SSOCVKAVWXRULO-UHFFFAOYSA-N -2 3 390.392 3.528 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1ccc2ncccc2c1 ZINC001325172294 1057283753 /nfs/dbraw/zinc/28/37/53/1057283753.db2.gz DRCLAWFOMXVGNG-UHFFFAOYSA-N -2 3 379.235 3.504 20 0 GHADHL O=C(Nc1ccc(I)cc1[O-])c1cc(Cl)ccc1[O-] ZINC001447622024 1059987147 /nfs/dbraw/zinc/98/71/47/1059987147.db2.gz ADWWGRLTMQNZSG-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL CCOC(=O)C1=C(NC(=O)c2cccc(Cl)c2[O-])[N-]c2ccccc2N=C1C ZINC001352144436 1064880191 /nfs/dbraw/zinc/88/01/91/1064880191.db2.gz XGBSIFLLCFARDQ-UHFFFAOYSA-N -2 3 399.834 3.768 20 0 GHADHL CC(C)c1ccc(-n2cc([O-])c(C(=O)NCc3ccc([O-])c(Cl)c3)n2)cc1 ZINC001471700012 1073186189 /nfs/dbraw/zinc/18/61/89/1073186189.db2.gz CFHTXKCSDFWBOZ-UHFFFAOYSA-N -2 3 385.851 3.990 20 0 GHADHL Cc1sc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c(-c2nnn[n-]2)c1C ZINC000737563514 598356634 /nfs/dbraw/zinc/35/66/34/598356634.db2.gz PBXTYBGAIHLNTB-GOSISDBHSA-N -2 3 391.497 3.545 20 0 GHADHL Cc1sc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737563514 598356635 /nfs/dbraw/zinc/35/66/35/598356635.db2.gz PBXTYBGAIHLNTB-GOSISDBHSA-N -2 3 391.497 3.545 20 0 GHADHL CCOc1cc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000737192672 599801930 /nfs/dbraw/zinc/80/19/30/599801930.db2.gz XCUWVCJUAVYQFO-ZZXKWVIFSA-N -2 3 386.791 3.962 20 0 GHADHL Cc1ccc(-c2cc(C(=O)[N-]c3nc4nc(C)cc(C(=O)[O-])c4s3)on2)cc1 ZINC000738489024 600048789 /nfs/dbraw/zinc/04/87/89/600048789.db2.gz YTOSSQKAKUINPR-UHFFFAOYSA-N -2 3 394.412 3.914 20 0 GHADHL CCN(c1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1)C(C)C ZINC000737109292 600103042 /nfs/dbraw/zinc/10/30/42/600103042.db2.gz UKDLTFSTYBOWGJ-UHFFFAOYSA-N -2 3 376.478 3.729 20 0 GHADHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000736992893 600105011 /nfs/dbraw/zinc/10/50/11/600105011.db2.gz OREDBGHFJMQYGD-UHFFFAOYSA-N -2 3 380.441 3.561 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c(OC(F)F)c1 ZINC000740154552 600237792 /nfs/dbraw/zinc/23/77/92/600237792.db2.gz FWPXXTUUENMEMB-UHFFFAOYSA-N -2 3 395.383 3.715 20 0 GHADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000477403218 600258344 /nfs/dbraw/zinc/25/83/44/600258344.db2.gz IRDDYSOXXWKFFH-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL O=C([O-])[C@H]1CC12CCN(C(=O)c1cc(CCc3ccccc3)ccc1[O-])CC2 ZINC000739533679 600319867 /nfs/dbraw/zinc/31/98/67/600319867.db2.gz QFXPNYZIEAPJHA-LJQANCHMSA-N -2 3 379.456 3.504 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1C(=O)[O-] ZINC000050534588 600812228 /nfs/dbraw/zinc/81/22/28/600812228.db2.gz XTNWFRWAYJLICY-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL Cc1oc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833027191 601215266 /nfs/dbraw/zinc/21/52/66/601215266.db2.gz FEWSVQFQNDNVQZ-INIZCTEOSA-N -2 3 395.433 3.555 20 0 GHADHL Cc1cc(Br)c(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])s1 ZINC000776553679 601962864 /nfs/dbraw/zinc/96/28/64/601962864.db2.gz ZUFABEKLPODESO-UHFFFAOYSA-N -2 3 398.344 3.523 20 0 GHADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547907513 837439278 /nfs/dbraw/zinc/43/92/78/837439278.db2.gz TVEYGNGDPRYPMY-DGCLKSJQSA-N -2 3 397.390 3.546 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000050534536 842698750 /nfs/dbraw/zinc/69/87/50/842698750.db2.gz FGYRLUHFOJVVKK-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL O=P([O-])([O-])C1(Nc2ccnc(C3(C(F)(F)F)CC3)c2)Cc2ccccc2C1 ZINC001167939665 844857094 /nfs/dbraw/zinc/85/70/94/844857094.db2.gz OBTMDCORKSPAKN-UHFFFAOYSA-N -2 3 398.321 3.760 20 0 GHADHL Cc1cccc([C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])c1C ZINC000548619043 845867703 /nfs/dbraw/zinc/86/77/03/845867703.db2.gz GWOHGKFDQGYMMZ-GFCCVEGCSA-N -2 3 394.301 3.776 20 0 GHADHL CC1C[C@@H](C(=O)Nc2ccc(F)cc2[O-])[C@H](C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000481680235 862000773 /nfs/dbraw/zinc/00/07/73/862000773.db2.gz YEBSLWAFLSAFEC-ZIAGYGMSSA-N -2 3 390.386 3.616 20 0 GHADHL Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504710639 850250911 /nfs/dbraw/zinc/25/09/11/850250911.db2.gz DKPRQBHGSKJERL-CMDGGOBGSA-N -2 3 398.850 3.744 20 0 GHADHL Cc1ccc2nc(-c3ccc([O-])c(I)c3)[n-]c(=O)c2c1 ZINC000436749632 852291377 /nfs/dbraw/zinc/29/13/77/852291377.db2.gz BLFVEOOOJPXVPT-UHFFFAOYSA-N -2 3 378.169 3.621 20 0 GHADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436755431 852302386 /nfs/dbraw/zinc/30/23/86/852302386.db2.gz MZEDAQAGFKEUAG-UHFFFAOYSA-N -2 3 390.848 3.823 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3(CC(=O)[O-])CCCCC3)c2)n1 ZINC000055149684 853681596 /nfs/dbraw/zinc/68/15/96/853681596.db2.gz GWUVXSAUVUBRLA-UHFFFAOYSA-N -2 3 397.475 3.753 20 0 GHADHL Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000045091656 856693077 /nfs/dbraw/zinc/69/30/77/856693077.db2.gz BOGJSUOVYKNUHV-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000013278660 857130215 /nfs/dbraw/zinc/13/02/15/857130215.db2.gz ZYIHZKFRPKLPGL-UHFFFAOYSA-N -2 3 399.424 3.987 20 0 GHADHL COc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cc1OCC(C)C ZINC000443444580 858681806 /nfs/dbraw/zinc/68/18/06/858681806.db2.gz PCORQHPZSLYOAW-TWGQIWQCSA-N -2 3 386.448 3.722 20 0 GHADHL Cc1nc(-c2cccs2)sc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738838458 859511267 /nfs/dbraw/zinc/51/12/67/859511267.db2.gz XLEWRFCGZJAYQK-UHFFFAOYSA-N -2 3 394.503 3.691 20 0 GHADHL Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000509103928 861068002 /nfs/dbraw/zinc/06/80/02/861068002.db2.gz SFNDVVFJXNTFLL-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2OC)c1 ZINC000480218175 864283037 /nfs/dbraw/zinc/28/30/37/864283037.db2.gz NYOCTLGILNJGDW-UHFFFAOYSA-N -2 3 378.233 3.517 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)ccc1C1CC1 ZINC000479579589 868120764 /nfs/dbraw/zinc/12/07/64/868120764.db2.gz NVRGWBBBXBXCDC-UHFFFAOYSA-N -2 3 395.864 3.790 20 0 GHADHL C[C@@H]1CC(C)(C)c2cccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)c21 ZINC001192729546 870619924 /nfs/dbraw/zinc/61/99/24/870619924.db2.gz RSUANDAMGHGVCM-CYBMUJFWSA-N -2 3 389.473 3.736 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1Oc1ccncc1 ZINC000447260965 871275518 /nfs/dbraw/zinc/27/55/18/871275518.db2.gz QIUOUAXUXCYKST-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc(Cl)c1F ZINC000767737740 872798194 /nfs/dbraw/zinc/79/81/94/872798194.db2.gz NIDQCBSUJHVIFZ-UHFFFAOYSA-N -2 3 399.827 3.767 20 0 GHADHL CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)cc2)CC1 ZINC000768495268 873353493 /nfs/dbraw/zinc/35/34/93/873353493.db2.gz DJTNKDGOBCXYSK-UHFFFAOYSA-N -2 3 392.452 3.561 20 0 GHADHL Cc1cccc(NC(=S)Nc2c([O-])cc(S(=O)(=O)[O-])c3ccccc32)c1 ZINC001198688194 874580363 /nfs/dbraw/zinc/58/03/63/874580363.db2.gz TUDHJBKRMFSMET-UHFFFAOYSA-N -2 3 388.470 3.909 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccccc3C(=O)[O-])c2)n1 ZINC000538577946 879754294 /nfs/dbraw/zinc/75/42/94/879754294.db2.gz ZXNALHLMANTITP-UHFFFAOYSA-N -2 3 391.427 3.681 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])cc1C ZINC000475750647 883158429 /nfs/dbraw/zinc/15/84/29/883158429.db2.gz QZZUKIUAVCPGKS-UHFFFAOYSA-N -2 3 383.853 3.773 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)s3)c2)n1 ZINC000055621125 886094703 /nfs/dbraw/zinc/09/47/03/886094703.db2.gz GZLORKCCUOOREW-UHFFFAOYSA-N -2 3 395.893 3.515 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CCc3ccccn3)c2)cc1C(=O)[O-] ZINC001184652964 913345139 /nfs/dbraw/zinc/34/51/39/913345139.db2.gz GXXIZZVWONYNEX-UHFFFAOYSA-N -2 3 396.468 3.674 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCCC2)cc1C(=O)[O-] ZINC001184703114 913369777 /nfs/dbraw/zinc/36/97/77/913369777.db2.gz HYCLGTYBAKRWLF-UHFFFAOYSA-N -2 3 392.452 3.623 20 0 GHADHL O=C([N-]c1nnc(-c2c(F)cccc2F)s1)c1cc(F)c(F)c([O-])c1F ZINC001170711924 891948201 /nfs/dbraw/zinc/94/82/01/891948201.db2.gz HKWVWVOOKQKKPV-UHFFFAOYSA-N -2 3 387.289 3.859 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1C(=O)[O-] ZINC000137215010 900825919 /nfs/dbraw/zinc/82/59/19/900825919.db2.gz YCUUVNHATCWOJT-UHFFFAOYSA-N -2 3 389.260 3.637 20 0 GHADHL COc1cc(Cl)c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1C ZINC000577978623 903406699 /nfs/dbraw/zinc/40/66/99/903406699.db2.gz DWLDSSONZCOEGK-UHFFFAOYSA-N -2 3 387.816 3.604 20 0 GHADHL O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)[N-]OC1CCCCC1 ZINC000779322451 906199013 /nfs/dbraw/zinc/19/90/13/906199013.db2.gz QIWOKOHHTBBRQB-UHFFFAOYSA-N -2 3 389.521 3.626 20 0 GHADHL Cc1cc([O-])c([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc1Br ZINC001189824757 916948525 /nfs/dbraw/zinc/94/85/25/916948525.db2.gz LKMQOOPJYIOFLV-UHFFFAOYSA-N -2 3 392.221 3.683 20 0 GHADHL CC(C)(C)c1cc(C(=O)NCCCCP(=O)([O-])[O-])c(O)c(C(C)(C)C)c1 ZINC001190963231 917667983 /nfs/dbraw/zinc/66/79/83/917667983.db2.gz CKMATOHSQIMTPN-UHFFFAOYSA-N -2 3 385.441 3.675 20 0 GHADHL Cc1nc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)c(-c2ccccc2)s1 ZINC001600717447 970851802 /nfs/dbraw/zinc/85/18/02/970851802.db2.gz AVUSTDWXCONALG-UHFFFAOYSA-N -2 3 394.518 3.574 20 0 GHADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1Cl ZINC000325063344 971181164 /nfs/dbraw/zinc/18/11/64/971181164.db2.gz YABADDIIAKMYDJ-UHFFFAOYSA-N -2 3 383.731 3.759 20 0 GHADHL CC(C)CCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000318542724 970443854 /nfs/dbraw/zinc/44/38/54/970443854.db2.gz KXGVREUATVHLHY-UHFFFAOYSA-N -2 3 396.303 3.625 20 0 GHADHL CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001595443882 981084337 /nfs/dbraw/zinc/08/43/37/981084337.db2.gz DOHJHIARHXEDGV-MNOVXSKESA-N -2 3 377.865 3.672 20 0 GHADHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)C(F)(F)F ZINC001594922169 982475444 /nfs/dbraw/zinc/47/54/44/982475444.db2.gz XAGYHHWHZMZBBH-BMIGLBTASA-N -2 3 389.395 3.793 20 0 GHADHL C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cc1 ZINC001589521673 987168840 /nfs/dbraw/zinc/16/88/40/987168840.db2.gz RTUHSEULWQSTQT-SNVBAGLBSA-N -2 3 391.449 3.931 20 0 GHADHL CSc1nccnc1C(=O)[N-]c1ccc(Cl)cc1SCCC(=O)[O-] ZINC001599829822 988654401 /nfs/dbraw/zinc/65/44/01/988654401.db2.gz OCUHTJXTJAKEFK-UHFFFAOYSA-N -2 3 383.882 3.671 20 0 GHADHL CC(C)(C)c1ccc(C(C)(C)C[N-]S(=O)(=O)c2occc2C(=O)[O-])cc1 ZINC001590481464 990072091 /nfs/dbraw/zinc/07/20/91/990072091.db2.gz COLZPRVFVAIBPT-UHFFFAOYSA-N -2 3 379.478 3.531 20 0 GHADHL C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC001593719983 996247289 /nfs/dbraw/zinc/24/72/89/996247289.db2.gz JNHRKCKBCZVGIZ-ZDUSSCGKSA-N -2 3 398.390 3.550 20 0 GHADHL C[C@@H](COc1ccccc1)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228120991 1032796123 /nfs/dbraw/zinc/79/61/23/1032796123.db2.gz ZMRFZDHJGHKJKY-AWEZNQCLSA-N -2 3 380.396 3.881 20 0 GHADHL CC(=O)[C@@H](Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC001228123113 1032798604 /nfs/dbraw/zinc/79/86/04/1032798604.db2.gz RJEPPBWZWWUXNV-JOCHJYFZSA-N -2 3 378.380 3.744 20 0 GHADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC000547940815 1043767187 /nfs/dbraw/zinc/76/71/87/1043767187.db2.gz AUYOBBDDHZADBJ-HNNXBMFYSA-N -2 3 384.457 3.856 20 0 GHADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000548234420 1043948436 /nfs/dbraw/zinc/94/84/36/1043948436.db2.gz BCFNXOLLJYQIQD-UHFFFAOYSA-N -2 3 378.208 3.773 20 0 GHADHL O=S(=O)([N-]c1ccc(-c2nnc(CC3CCCC3)o2)c([O-])c1)c1ccccc1 ZINC001258695654 1044716560 /nfs/dbraw/zinc/71/65/60/1044716560.db2.gz UJRZAUCGWYKZGC-UHFFFAOYSA-N -2 3 399.472 3.976 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cnc2Cl)c(F)cc1Cl ZINC001259213546 1045013609 /nfs/dbraw/zinc/01/36/09/1045013609.db2.gz ZOWZWKLSKWAVJR-UHFFFAOYSA-N -2 3 399.614 3.680 20 0 GHADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)c([O-])c1 ZINC001259242665 1045037614 /nfs/dbraw/zinc/03/76/14/1045037614.db2.gz SGIFNYDWFPWJJQ-UHFFFAOYSA-N -2 3 397.880 3.943 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccc(-c2cnco2)s1 ZINC001259987066 1045343666 /nfs/dbraw/zinc/34/36/66/1045343666.db2.gz FJNCKBHQCVQQNX-UHFFFAOYSA-N -2 3 379.444 3.519 20 0 GHADHL COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cc([O-])c(Cl)cc1F ZINC001260785024 1045661700 /nfs/dbraw/zinc/66/17/00/1045661700.db2.gz SCHNLRPYIUAOHV-UHFFFAOYSA-N -2 3 380.224 3.956 20 0 GHADHL Cc1c2ccc([N-]S(=O)(=O)c3cc(Cl)c([O-])c(Cl)c3)cc2nn1C ZINC001260874598 1045729695 /nfs/dbraw/zinc/72/96/95/1045729695.db2.gz BKVGGYKBUADBAP-UHFFFAOYSA-N -2 3 386.260 3.695 20 0 GHADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)c1 ZINC000393083585 1047652748 /nfs/dbraw/zinc/65/27/48/1047652748.db2.gz IBDXXAYJYZOVRY-UHFFFAOYSA-N -2 3 393.770 3.536 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1C(=O)N(C)C(C)C ZINC000451038155 450602786 /nfs/dbraw/zinc/60/27/86/450602786.db2.gz SSVPBJPBCXLWKZ-UHFFFAOYSA-N -2 3 396.896 3.635 20 0 GHADHL CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])ccc21 ZINC000436478962 568278218 /nfs/dbraw/zinc/27/82/18/568278218.db2.gz SOZFWVWCESLKSL-UHFFFAOYSA-N -2 3 394.880 3.536 20 0 GHADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000736431712 599853132 /nfs/dbraw/zinc/85/31/32/599853132.db2.gz DDTRBCOJCNANGN-UHFFFAOYSA-N -2 3 391.489 3.930 20 0 GHADHL CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737497089 600213079 /nfs/dbraw/zinc/21/30/79/600213079.db2.gz WCKUBGHVBFMYSP-QGZVFWFLSA-N -2 3 395.440 3.915 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000060554448 600482681 /nfs/dbraw/zinc/48/26/81/600482681.db2.gz QLWXZHVMAHYBNM-UHFFFAOYSA-N -2 3 395.742 3.738 20 0 GHADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc2)nc1 ZINC000733251720 600816454 /nfs/dbraw/zinc/81/64/54/600816454.db2.gz RGRVWDNORIDSSP-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2Cl)cc1C(=O)[O-] ZINC000833029020 601222292 /nfs/dbraw/zinc/22/22/92/601222292.db2.gz XEJMDVKNQSTLPU-SSDOTTSWSA-N -2 3 378.233 3.633 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000013264795 601354156 /nfs/dbraw/zinc/35/41/56/601354156.db2.gz FTWVHFXOHWTMHG-UHFFFAOYSA-N -2 3 383.425 3.765 20 0 GHADHL Cc1cc(C(=O)[O-])c2sc([N-]C(=O)c3c(F)c(F)cc(F)c3F)nc2n1 ZINC000832868321 601451110 /nfs/dbraw/zinc/45/11/10/601451110.db2.gz ZVZRCOBSGOTSRA-UHFFFAOYSA-N -2 3 385.298 3.507 20 0 GHADHL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)ccc2C)n1 ZINC000507949136 601989294 /nfs/dbraw/zinc/98/92/94/601989294.db2.gz MDLCJMICFXEJPW-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL CCOc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000830045227 602149093 /nfs/dbraw/zinc/14/90/93/602149093.db2.gz YAFRCBJPSAVDCH-XBXARRHUSA-N -2 3 382.372 3.622 20 0 GHADHL CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c([O-])c1 ZINC000739477666 602864455 /nfs/dbraw/zinc/86/44/55/602864455.db2.gz HIUPDACHADKEIL-UHFFFAOYSA-N -2 3 378.768 3.565 20 0 GHADHL O=C([O-])Nc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1F ZINC000833283743 604332640 /nfs/dbraw/zinc/33/26/40/604332640.db2.gz VGDIKYXAADQWPG-UHFFFAOYSA-N -2 3 398.188 3.705 20 0 GHADHL CCN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160615 607209481 /nfs/dbraw/zinc/20/94/81/607209481.db2.gz NNJAXQWBSPHZEI-SNVBAGLBSA-N -2 3 389.818 3.588 20 0 GHADHL CCN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160615 607209482 /nfs/dbraw/zinc/20/94/82/607209482.db2.gz NNJAXQWBSPHZEI-SNVBAGLBSA-N -2 3 389.818 3.588 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1F)c1c(Cl)cccc1Br ZINC000548977666 837115047 /nfs/dbraw/zinc/11/50/47/837115047.db2.gz LZODHQADQPWGJC-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)c1Cl ZINC000547866343 837310113 /nfs/dbraw/zinc/31/01/13/837310113.db2.gz DZXKDDSVVPCLGE-LLVKDONJSA-N -2 3 394.301 3.858 20 0 GHADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[O-])cc2)n1 ZINC000182022084 838685526 /nfs/dbraw/zinc/68/55/26/838685526.db2.gz DMSIHLSDJLGVPO-UHFFFAOYSA-N -2 3 389.333 3.722 20 0 GHADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000657142237 844525013 /nfs/dbraw/zinc/52/50/13/844525013.db2.gz BCOVQCXQOCRRQD-SKDRFNHKSA-N -2 3 380.293 3.551 20 0 GHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)cc1 ZINC000581242793 840925150 /nfs/dbraw/zinc/92/51/50/840925150.db2.gz VBZVDGKUTXPZPP-UHFFFAOYSA-N -2 3 383.425 3.618 20 0 GHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000548203100 842148403 /nfs/dbraw/zinc/14/84/03/842148403.db2.gz NLWOCHGCRBPCCL-NSHDSACASA-N -2 3 395.864 3.779 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1C ZINC000435728586 850792012 /nfs/dbraw/zinc/79/20/12/850792012.db2.gz OBAOSHZWUKKTHZ-UHFFFAOYSA-N -2 3 391.489 3.665 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1C(=O)[O-] ZINC000436178555 851305959 /nfs/dbraw/zinc/30/59/59/851305959.db2.gz SWZSAFALGOTRBI-UHFFFAOYSA-N -2 3 385.388 3.696 20 0 GHADHL COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccc([O-])c(Cl)c2)[nH][n-]1 ZINC000436635440 852129751 /nfs/dbraw/zinc/12/97/51/852129751.db2.gz NIKMCXMETPANLA-UHFFFAOYSA-N -2 3 378.215 3.772 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1F ZINC000489747188 852569178 /nfs/dbraw/zinc/56/91/78/852569178.db2.gz XVZFJEKCPBWYPG-UHFFFAOYSA-N -2 3 379.409 3.646 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1-c1ncco1 ZINC000164699949 854217343 /nfs/dbraw/zinc/21/73/43/854217343.db2.gz LPVXYUWSTWOKQP-UHFFFAOYSA-N -2 3 390.392 3.597 20 0 GHADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000014097363 860090013 /nfs/dbraw/zinc/09/00/13/860090013.db2.gz IPLRMCNDHNFSPM-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(CC)c(C)cc2C)cc1C(=O)[O-] ZINC001192648572 870553370 /nfs/dbraw/zinc/55/33/70/870553370.db2.gz DSHDSZUZLNCTMA-UHFFFAOYSA-N -2 3 377.462 3.764 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2Cl)c(Cl)cc1F ZINC001193973300 871411016 /nfs/dbraw/zinc/41/10/16/871411016.db2.gz QHTRCSQIIXBHPT-UHFFFAOYSA-N -2 3 399.614 3.680 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc(Cl)c1F ZINC000767738500 872798218 /nfs/dbraw/zinc/79/82/18/872798218.db2.gz XROLKDDRFAZLBC-UHFFFAOYSA-N -2 3 395.742 3.580 20 0 GHADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cc1 ZINC001196067480 872838477 /nfs/dbraw/zinc/83/84/77/872838477.db2.gz ZBZJCQSMSILMFN-UHFFFAOYSA-N -2 3 396.468 3.919 20 0 GHADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OCC2CCCC2)cc1 ZINC001198778544 874627447 /nfs/dbraw/zinc/62/74/47/874627447.db2.gz GMDUORHVIARGMP-UHFFFAOYSA-N -2 3 375.446 3.755 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccc(Oc2ccncc2)cc1 ZINC001201589524 875769195 /nfs/dbraw/zinc/76/91/95/875769195.db2.gz IRRFJJWODLBHMP-UHFFFAOYSA-N -2 3 399.453 3.990 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1ncccc1OCc1ccccc1 ZINC001201893940 875908998 /nfs/dbraw/zinc/90/89/98/875908998.db2.gz FABQLZVXMPURJA-UHFFFAOYSA-N -2 3 390.848 3.820 20 0 GHADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000392707880 879032398 /nfs/dbraw/zinc/03/23/98/879032398.db2.gz YCDXSWVVYNLPOJ-GXTWGEPZSA-N -2 3 399.818 3.671 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)Cl)cc2)cc1C(=O)[O-] ZINC001184698948 913367667 /nfs/dbraw/zinc/36/76/67/913367667.db2.gz MGISAPQHRAVVHT-UHFFFAOYSA-N -2 3 391.779 3.662 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c(C)c1C(=O)[O-] ZINC000533120121 889821506 /nfs/dbraw/zinc/82/15/06/889821506.db2.gz BVQLGOPHZHDEDU-UHFFFAOYSA-N -2 3 377.462 3.898 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)c(C)c1 ZINC000614883954 891551053 /nfs/dbraw/zinc/55/10/53/891551053.db2.gz YNGVNAVGYNJRGS-UHFFFAOYSA-N -2 3 377.462 3.845 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc(C(=O)[O-])c1C ZINC000498014047 892953443 /nfs/dbraw/zinc/95/34/43/892953443.db2.gz AITBXXGOJQIQRU-UHFFFAOYSA-N -2 3 380.441 3.762 20 0 GHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000572763036 900271158 /nfs/dbraw/zinc/27/11/58/900271158.db2.gz NNXBRWVRNSBPNN-UHFFFAOYSA-N -2 3 381.425 3.729 20 0 GHADHL Cc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC001188313879 915880545 /nfs/dbraw/zinc/88/05/45/915880545.db2.gz CXVRWXADBPFUHW-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2nc3c(cccc3[O-])s2)c1 ZINC001191268390 917882059 /nfs/dbraw/zinc/88/20/59/917882059.db2.gz JMHYMQKMFXLWEO-UHFFFAOYSA-N -2 3 399.291 3.874 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)cc2OC2CCCC2)c1 ZINC000678824433 924940366 /nfs/dbraw/zinc/94/03/66/924940366.db2.gz WXWHNGHIHGWCDF-UHFFFAOYSA-N -2 3 381.425 3.662 20 0 GHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1F ZINC000547609673 931147206 /nfs/dbraw/zinc/14/72/06/931147206.db2.gz YTQKXGSIQHFQKS-UHFFFAOYSA-N -2 3 395.305 3.624 20 0 GHADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)c1F ZINC000326762065 971326079 /nfs/dbraw/zinc/32/60/79/971326079.db2.gz ORESFDLSCSWYBN-MRXNPFEDSA-N -2 3 383.828 3.607 20 0 GHADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCCC1 ZINC000390840903 972303573 /nfs/dbraw/zinc/30/35/73/972303573.db2.gz CFQUEXYUUVTOFL-UHFFFAOYSA-N -2 3 380.293 3.697 20 0 GHADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(SC(C)C)cc2)cc1C(=O)[O-] ZINC000572874634 1019809630 /nfs/dbraw/zinc/80/96/30/1019809630.db2.gz LWPCBIZKOGBWGL-LLVKDONJSA-N -2 3 383.491 3.826 20 0 GHADHL [O-]c1cc([O-])c(-c2nc(-c3ccc(-n4ccnc4)cc3)no2)cc1Br ZINC001215471238 1029227265 /nfs/dbraw/zinc/22/72/65/1029227265.db2.gz RXSQTDRCYPAVBU-UHFFFAOYSA-N -2 3 399.204 3.763 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@@H]2CCO[C@H](C)C2)cc1 ZINC001229671735 1033631645 /nfs/dbraw/zinc/63/16/45/1033631645.db2.gz MATHPRDOCBSXBJ-MLGOLLRUSA-N -2 3 398.411 3.826 20 0 GHADHL O=C(Nc1c([O-])cccc1Cl)c1ccc(I)cc1[O-] ZINC001159658313 1034704626 /nfs/dbraw/zinc/70/46/26/1034704626.db2.gz RSNZOFJNHWRQPX-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(-c2ccc([O-])c(F)c2F)nc1 ZINC001243339262 1036121089 /nfs/dbraw/zinc/12/10/89/1036121089.db2.gz NOPVHLRZFSSNNB-UHFFFAOYSA-N -2 3 398.337 3.811 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)c(F)cc1Cl ZINC001259213677 1045013535 /nfs/dbraw/zinc/01/35/35/1045013535.db2.gz GTLICPZIPIKAME-UHFFFAOYSA-N -2 3 399.614 3.680 20 0 GHADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2c(Cl)ncc3ccccc32)c1 ZINC001260209482 1045415853 /nfs/dbraw/zinc/41/58/53/1045415853.db2.gz HJRNKDKBUDRFLM-UHFFFAOYSA-N -2 3 380.784 3.526 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1cc(F)c(F)cc1Cl ZINC001260277540 1045439311 /nfs/dbraw/zinc/43/93/11/1045439311.db2.gz OMDJNFCNWYZWAM-UHFFFAOYSA-N -2 3 376.793 3.734 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ccsc3)cc2)ccc1O ZINC001260399850 1045487898 /nfs/dbraw/zinc/48/78/98/1045487898.db2.gz CDCZRWGJMGZZAW-UHFFFAOYSA-N -2 3 375.427 3.620 20 0 GHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000738602937 600057717 /nfs/dbraw/zinc/05/77/17/600057717.db2.gz FWJUSXBIPBGYKG-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL O=C([O-])c1cc(F)ccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000740078832 600058218 /nfs/dbraw/zinc/05/82/18/600058218.db2.gz TTWZICPXSSNTHI-UHFFFAOYSA-N -2 3 396.403 3.651 20 0 GHADHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1 ZINC000736993398 600104817 /nfs/dbraw/zinc/10/48/17/600104817.db2.gz ZALBOHBOZNVJJM-UHFFFAOYSA-N -2 3 376.478 3.730 20 0 GHADHL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000754255912 601327322 /nfs/dbraw/zinc/32/73/22/601327322.db2.gz FBXVJZRAOUYPJG-MDZDMXLPSA-N -2 3 379.409 3.724 20 0 GHADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)F)ccc1Cl ZINC000832204211 604635874 /nfs/dbraw/zinc/63/58/74/604635874.db2.gz LRUQUARKSUFKOV-UHFFFAOYSA-N -2 3 391.779 3.785 20 0 GHADHL O=C([O-])Nc1ccc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000834263069 606102217 /nfs/dbraw/zinc/10/22/17/606102217.db2.gz PHGNTELULPTYRS-UHFFFAOYSA-N -2 3 379.401 3.762 20 0 GHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(F)c1 ZINC000052025595 848824366 /nfs/dbraw/zinc/82/43/66/848824366.db2.gz WVXJTLLKTPRQAV-UHFFFAOYSA-N -2 3 387.816 3.765 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(Br)cc1Cl ZINC000504258725 849989992 /nfs/dbraw/zinc/98/99/92/849989992.db2.gz BOOJNVOQIKSZAA-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000504679570 850231957 /nfs/dbraw/zinc/23/19/57/850231957.db2.gz BAUKLWCYRJGNLP-CQSZACIVSA-N -2 3 377.462 3.854 20 0 GHADHL CCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OCC(C)C ZINC000504711882 850254027 /nfs/dbraw/zinc/25/40/27/850254027.db2.gz LCCDNAOFRGTLPQ-VQHVLOKHSA-N -2 3 386.448 3.722 20 0 GHADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1Oc1cccnc1 ZINC000504741594 850266205 /nfs/dbraw/zinc/26/62/05/850266205.db2.gz LZCOGLADOAYQNO-SOFGYWHQSA-N -2 3 377.400 3.784 20 0 GHADHL Cc1nc(C=Cc2cc(Cl)ccc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504720879 850271016 /nfs/dbraw/zinc/27/10/16/850271016.db2.gz MVMWSUZLNSYUIM-GORDUTHDSA-N -2 3 383.629 3.704 20 0 GHADHL Cc1nc(C=Cc2cc(Br)c(Cl)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504722787 850272175 /nfs/dbraw/zinc/27/21/75/850272175.db2.gz WZAQGMGGKPXAIL-NSCUHMNNSA-N -2 3 389.658 3.766 20 0 GHADHL CCCCCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000504728261 850275550 /nfs/dbraw/zinc/27/55/50/850275550.db2.gz ATUCIRPXWILNJF-CSKARUKUSA-N -2 3 386.448 3.866 20 0 GHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(F)c1 ZINC000489698098 852531774 /nfs/dbraw/zinc/53/17/74/852531774.db2.gz OPOKAAMEOFFQCI-UHFFFAOYSA-N -2 3 387.816 3.765 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccnc2-c2ccc(C)s2)c1 ZINC000437664383 853375341 /nfs/dbraw/zinc/37/53/41/853375341.db2.gz ZKBFXNDCHCDPKE-UHFFFAOYSA-N -2 3 376.459 3.634 20 0 GHADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1c[n-]c2ccccc2c1=O ZINC000536460935 856121242 /nfs/dbraw/zinc/12/12/42/856121242.db2.gz ZOLNZYVCQMJXKO-UHFFFAOYSA-N -2 3 393.624 3.902 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3ncsc3c2)c(C)c1CC(=O)[O-] ZINC000181221270 862803570 /nfs/dbraw/zinc/80/35/70/862803570.db2.gz XFUHDBAWCQOVOX-UHFFFAOYSA-N -2 3 390.486 3.649 20 0 GHADHL C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761265193 860109293 /nfs/dbraw/zinc/10/92/93/860109293.db2.gz QHSFJJZCSRZYNO-MRVPVSSYSA-N -2 3 394.301 3.663 20 0 GHADHL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000058518977 881620073 /nfs/dbraw/zinc/62/00/73/881620073.db2.gz PBCFLNYZWSQXEE-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL CCSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793399953 882175162 /nfs/dbraw/zinc/17/51/62/882175162.db2.gz DUVDEZLXXMSKME-UHFFFAOYSA-N -2 3 383.466 3.886 20 0 GHADHL Cc1ccc2nc(-c3ccc(I)c([O-])c3)[n-]c(=O)c2c1 ZINC000539533157 869316613 /nfs/dbraw/zinc/31/66/13/869316613.db2.gz LCCRZCLIMRYMFO-UHFFFAOYSA-N -2 3 378.169 3.621 20 0 GHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(C3CCCCC3)cc2)cc1 ZINC001192677518 870595148 /nfs/dbraw/zinc/59/51/48/870595148.db2.gz HCDOXXUUXDBMMN-UHFFFAOYSA-N -2 3 389.473 3.999 20 0 GHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccccc3)cc2)cc1 ZINC001192714324 870637539 /nfs/dbraw/zinc/63/75/39/870637539.db2.gz LVRNKNVOMFHNGX-UHFFFAOYSA-N -2 3 397.452 3.542 20 0 GHADHL Cc1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2[O-])c1 ZINC001193255337 870978697 /nfs/dbraw/zinc/97/86/97/870978697.db2.gz VBWYHTNIKCBGRR-UHFFFAOYSA-N -2 3 388.470 3.815 20 0 GHADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001194239283 871577344 /nfs/dbraw/zinc/57/73/44/871577344.db2.gz ZXFTYRYFOSNTGP-UHFFFAOYSA-N -2 3 391.282 3.653 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2sc(-c3ccccc3)nc2C)c1 ZINC000542234489 875195658 /nfs/dbraw/zinc/19/56/58/875195658.db2.gz JOIUAETTZCATFN-UHFFFAOYSA-N -2 3 376.459 3.634 20 0 GHADHL Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000476764680 883047469 /nfs/dbraw/zinc/04/74/69/883047469.db2.gz GMVSSNBOKZDOEF-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(Cl)c2)sc1Cl ZINC000530541412 877994396 /nfs/dbraw/zinc/99/43/96/877994396.db2.gz BNDJFLUUAUGHSZ-NSHDSACASA-N -2 3 394.301 3.858 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)c1 ZINC000538297787 879204292 /nfs/dbraw/zinc/20/42/92/879204292.db2.gz BWAGQMAPDPAGEL-UHFFFAOYSA-N -2 3 381.425 3.662 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2Cl)cc1C(=O)[O-] ZINC001184662650 913352208 /nfs/dbraw/zinc/35/22/08/913352208.db2.gz BKWSQEUYRVXUFJ-UHFFFAOYSA-N -2 3 394.758 3.561 20 0 GHADHL COc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1OCc1ccc(F)cc1 ZINC000670369882 891807113 /nfs/dbraw/zinc/80/71/13/891807113.db2.gz HZJNIJGDJXYQHP-WEVVVXLNSA-N -2 3 396.374 3.778 20 0 GHADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c1F ZINC000576217076 901826081 /nfs/dbraw/zinc/82/60/81/901826081.db2.gz IHCAMWQBFLMHPQ-UHFFFAOYSA-N -2 3 378.208 3.773 20 0 GHADHL Cc1cc(Br)c([O-])c([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000578499192 903907012 /nfs/dbraw/zinc/90/70/12/903907012.db2.gz VUUBDHVTMMHGQS-SWLSCSKDSA-N -2 3 382.279 3.761 20 0 GHADHL CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(C)cc1[O-] ZINC000579308044 904502099 /nfs/dbraw/zinc/50/20/99/904502099.db2.gz ZOILYMFBAWFIET-SFHVURJKSA-N -2 3 393.487 3.554 20 0 GHADHL Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000547609609 931147382 /nfs/dbraw/zinc/14/73/82/931147382.db2.gz XPDYGUVUIVLFEM-UHFFFAOYSA-N -2 3 395.305 3.791 20 0 GHADHL CCCC[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)[O-] ZINC000829295318 935791125 /nfs/dbraw/zinc/79/11/25/935791125.db2.gz BNTGWWVINZQFFI-ZDUSSCGKSA-N -2 3 392.868 3.910 20 0 GHADHL O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1F ZINC000324570640 971133469 /nfs/dbraw/zinc/13/34/69/971133469.db2.gz VEQFGJFMBVWBIB-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)ccc1O ZINC000013346008 957033047 /nfs/dbraw/zinc/03/30/47/957033047.db2.gz ADDPZYMVPFHPFE-UHFFFAOYSA-N -2 3 395.742 3.563 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1Cl ZINC001605277689 973070243 /nfs/dbraw/zinc/07/02/43/973070243.db2.gz MUIRHAHMVCAWTI-OUAUKWLOSA-N -2 3 394.320 3.716 20 0 GHADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CCC1 ZINC001595641122 981965714 /nfs/dbraw/zinc/96/57/14/981965714.db2.gz RGGOXPGKBXYYTR-CQSZACIVSA-N -2 3 377.865 3.815 20 0 GHADHL CC[C@@H](C)[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)[O-] ZINC001594929027 982545677 /nfs/dbraw/zinc/54/56/77/982545677.db2.gz QBNONWPBRWTLIA-NOZJJQNGSA-N -2 3 392.868 3.766 20 0 GHADHL CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC001595005057 982919368 /nfs/dbraw/zinc/91/93/68/982919368.db2.gz MKXMWWBPNHHUFH-SNVBAGLBSA-N -2 3 385.388 3.641 20 0 GHADHL CC[C@H](C)c1ccc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C(C)C)cc1 ZINC001595010630 982942605 /nfs/dbraw/zinc/94/26/05/982942605.db2.gz VLMOQHLYSGHVJU-YVEFUNNKSA-N -2 3 380.466 3.562 20 0 GHADHL CC(C)(C)CCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001589780083 988146977 /nfs/dbraw/zinc/14/69/77/988146977.db2.gz JLKLSHYEITTZTD-UHFFFAOYSA-N -2 3 383.388 3.504 20 0 GHADHL [S-]c1[n-]c(O[C@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)nc2ncnc1-2 ZINC001226784221 1032128094 /nfs/dbraw/zinc/12/80/94/1032128094.db2.gz FMFDJJGFVRMKMV-JTQLQIEISA-N -2 3 396.303 3.602 20 0 GHADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC001599330287 997736290 /nfs/dbraw/zinc/73/62/90/997736290.db2.gz VCSPDKVTYUULAN-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL CCCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000470261452 1016757903 /nfs/dbraw/zinc/75/79/03/1016757903.db2.gz QQQSIAYPNGLXAA-CSKARUKUSA-N -2 3 386.448 3.866 20 0 GHADHL CCC[C@@H](CC(=O)OCC)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228123940 1032797519 /nfs/dbraw/zinc/79/75/19/1032797519.db2.gz WSUIFLQDKXKJTN-HNNXBMFYSA-N -2 3 388.416 3.535 20 0 GHADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@@H]1CCCc2cccnc21 ZINC001228120815 1032796689 /nfs/dbraw/zinc/79/66/89/1032796689.db2.gz YIKAYBLLPRMGQN-LJQANCHMSA-N -2 3 377.396 3.886 20 0 GHADHL C[C@@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1)C1CCOCC1 ZINC001225626191 1031516234 /nfs/dbraw/zinc/51/62/34/1031516234.db2.gz OXGNAJDTEOPWBD-GFCCVEGCSA-N -2 3 398.411 3.771 20 0 GHADHL C[C@H]1C[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)CCO1 ZINC001225629509 1031518198 /nfs/dbraw/zinc/51/81/98/1031518198.db2.gz XKWWOYPASBZBKK-NHYWBVRUSA-N -2 3 384.384 3.523 20 0 GHADHL CCCCCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2[O-])o1 ZINC001256145350 1041583495 /nfs/dbraw/zinc/58/34/95/1041583495.db2.gz ZZBYBUFJDLJHNU-UHFFFAOYSA-N -2 3 387.461 3.976 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cccnc2-c2cc(F)ccc2[O-])cc1 ZINC001240694531 1042950559 /nfs/dbraw/zinc/95/05/59/1042950559.db2.gz WXAVZBJYEMNUQQ-UHFFFAOYSA-N -2 3 388.420 3.793 20 0 GHADHL O=C([O-])c1cccc(COc2cccc(/C=C3\C(=O)[N-]C(=O)c4ccccc43)c2)c1 ZINC001326917782 1057572791 /nfs/dbraw/zinc/57/27/91/1057572791.db2.gz YMSGWTFCCQEXRL-BKUYFWCQSA-N -2 3 399.402 3.774 20 0 GHADHL O=S(=O)([N-]c1cccc(C([O-])(C(F)(F)F)C(F)(F)F)c1)c1ccccc1 ZINC000150068398 1068531161 /nfs/dbraw/zinc/53/11/61/1068531161.db2.gz ABSUSLRSTUGYNS-UHFFFAOYSA-N -2 3 399.312 3.800 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1Br ZINC000071975639 222201923 /nfs/dbraw/zinc/20/19/23/222201923.db2.gz JQKSFPBOYQANPZ-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL CC(=O)N(c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1)[C@@H]1C[C@H]1C ZINC000556267052 452922073 /nfs/dbraw/zinc/92/20/73/452922073.db2.gz WDYCWWPQPZBXOI-BDJLRTHQSA-N -2 3 394.880 3.608 20 0 GHADHL CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000729666556 599852070 /nfs/dbraw/zinc/85/20/70/599852070.db2.gz VTBBESVZXSOVRY-UHFFFAOYSA-N -2 3 392.433 3.533 20 0 GHADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCCCCC2)cc1 ZINC000740144481 600106133 /nfs/dbraw/zinc/10/61/33/600106133.db2.gz PDRCHKZQLQXOQQ-UHFFFAOYSA-N -2 3 392.452 3.705 20 0 GHADHL CC[C@](NCc1nc2c3ccccc3oc2c(=O)[n-]1)(C(=O)[O-])c1ccccc1 ZINC000736919993 600130614 /nfs/dbraw/zinc/13/06/14/600130614.db2.gz FWPAQGAEVJZUNV-OAQYLSRUSA-N -2 3 377.400 3.561 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)ccc1Oc1cccnc1 ZINC000481980471 600628150 /nfs/dbraw/zinc/62/81/50/600628150.db2.gz MGNFBVQCPGYFGC-UHFFFAOYSA-N -2 3 398.440 3.610 20 0 GHADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)cc2)nc1 ZINC000738649030 600894742 /nfs/dbraw/zinc/89/47/42/600894742.db2.gz JYAWISYAAUZNKP-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)ccc1F ZINC000733774041 601331256 /nfs/dbraw/zinc/33/12/56/601331256.db2.gz GDMKBXLEXKBDNZ-UHFFFAOYSA-N -2 3 388.376 3.512 20 0 GHADHL Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000747617839 601334902 /nfs/dbraw/zinc/33/49/02/601334902.db2.gz NLHZHDUTTPVUEE-UHFFFAOYSA-N -2 3 395.452 3.948 20 0 GHADHL CCOc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000830045230 602149084 /nfs/dbraw/zinc/14/90/84/602149084.db2.gz YAFRCBJPSAVDCH-YWEYNIOJSA-N -2 3 382.372 3.622 20 0 GHADHL Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000832891372 602175959 /nfs/dbraw/zinc/17/59/59/602175959.db2.gz RYBVRZJDHUKSCI-OAHLLOKOSA-N -2 3 388.489 3.873 20 0 GHADHL CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)c2C1 ZINC000833483130 605487844 /nfs/dbraw/zinc/48/78/44/605487844.db2.gz HFBISBKXRJXNMT-UHFFFAOYSA-N -2 3 388.489 3.547 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(F)c1 ZINC000547918853 837540960 /nfs/dbraw/zinc/54/09/60/837540960.db2.gz NFDLCZNXMXZDMR-HNNXBMFYSA-N -2 3 397.811 3.638 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000547918854 837541003 /nfs/dbraw/zinc/54/10/03/837541003.db2.gz NFDLCZNXMXZDMR-OAHLLOKOSA-N -2 3 397.811 3.638 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc(C(=O)[O-])c1C ZINC000471134735 834889969 /nfs/dbraw/zinc/88/99/69/834889969.db2.gz YSQSALHPJMAPDW-UHFFFAOYSA-N -2 3 377.462 3.727 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)ccc1OC(C)C ZINC000536200098 835479437 /nfs/dbraw/zinc/47/94/37/835479437.db2.gz XBGZDFFSTHRMIV-UHFFFAOYSA-N -2 3 391.489 3.990 20 0 GHADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000548197603 842030938 /nfs/dbraw/zinc/03/09/38/842030938.db2.gz JECPNRGRNLXOIS-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL COc1cc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc(Br)c1[O-] ZINC000254748421 842994462 /nfs/dbraw/zinc/99/44/62/842994462.db2.gz BFZYYEPMYYRRTE-UHFFFAOYSA-N -2 3 395.238 3.560 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1C(C)C ZINC000432680180 843448393 /nfs/dbraw/zinc/44/83/93/843448393.db2.gz JEZCMEYKHNVYPV-UHFFFAOYSA-N -2 3 377.462 3.555 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccs1 ZINC000548524604 845344637 /nfs/dbraw/zinc/34/46/37/845344637.db2.gz NVUCBZIIAJLBFM-ZDUSSCGKSA-N -2 3 385.850 3.560 20 0 GHADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000504701986 850246341 /nfs/dbraw/zinc/24/63/41/850246341.db2.gz CTHDCXOREQOURD-GFCCVEGCSA-N -2 3 383.466 3.809 20 0 GHADHL Cc1nc(C=Cc2cc(Br)c(Cl)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504722786 850271920 /nfs/dbraw/zinc/27/19/20/850271920.db2.gz WZAQGMGGKPXAIL-IHWYPQMZSA-N -2 3 389.658 3.766 20 0 GHADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCCC(=O)[O-])c(OC)c2)CC)n1 ZINC000435339133 850393656 /nfs/dbraw/zinc/39/36/56/850393656.db2.gz OZWPXRNAPAFBFD-PTNGSMBKSA-N -2 3 386.448 3.535 20 0 GHADHL Cc1cc(=O)[n-]c(C=Cc2cc(Br)c([O-])c(Br)c2)n1 ZINC000436783187 852334365 /nfs/dbraw/zinc/33/43/65/852334365.db2.gz LCLHBFWDNVTEGN-IHWYPQMZSA-N -2 3 386.043 3.892 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)cc1C(=O)[O-] ZINC000571911724 854184925 /nfs/dbraw/zinc/18/49/25/854184925.db2.gz CHYSVYHDTLWQIR-UHFFFAOYSA-N -2 3 393.461 3.518 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1OCC ZINC000675436879 857343915 /nfs/dbraw/zinc/34/39/15/857343915.db2.gz BYSJWBADYYDAPN-UHFFFAOYSA-N -2 3 393.461 3.600 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C(=O)[O-])cc3F)c2)n1 ZINC000478830667 858573319 /nfs/dbraw/zinc/57/33/19/858573319.db2.gz UUVKWVIOPJRCQH-UHFFFAOYSA-N -2 3 381.363 3.501 20 0 GHADHL COc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cc1OCC(C)C ZINC000443444579 858681748 /nfs/dbraw/zinc/68/17/48/858681748.db2.gz PCORQHPZSLYOAW-RMKNXTFCSA-N -2 3 386.448 3.722 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1Cl ZINC000326938492 858750938 /nfs/dbraw/zinc/75/09/38/858750938.db2.gz FSPVQMZPRYGDSI-UHFFFAOYSA-N -2 3 387.816 3.685 20 0 GHADHL Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)c2)oc1C ZINC000466350668 859192796 /nfs/dbraw/zinc/19/27/96/859192796.db2.gz VOMCCVWJEQVQBQ-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1C(=O)[O-] ZINC000532279762 881721204 /nfs/dbraw/zinc/72/12/04/881721204.db2.gz NFXMQHFTQMHIMA-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000063345089 864569174 /nfs/dbraw/zinc/56/91/74/864569174.db2.gz VFRFCWLJDWTMJZ-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL O=C(Nc1c([O-])cccc1F)[C@@H]1CCC[C@@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000608367034 865264530 /nfs/dbraw/zinc/26/45/30/865264530.db2.gz RUCSASXSGXULSJ-VXGBXAGGSA-N -2 3 390.386 3.760 20 0 GHADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1c[n-]c2ccccc2c1=O ZINC000174917227 865955873 /nfs/dbraw/zinc/95/58/73/865955873.db2.gz XSWDULRLTTVPRT-UHFFFAOYSA-N -2 3 393.624 3.902 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(F)c1 ZINC001192398293 870366905 /nfs/dbraw/zinc/36/69/05/870366905.db2.gz NPZZMSSEYRKTBR-UHFFFAOYSA-N -2 3 394.207 3.640 20 0 GHADHL Cc1cccc(C(C)(C)C)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192728235 870618839 /nfs/dbraw/zinc/61/88/39/870618839.db2.gz BHMUDILBGQEATR-UHFFFAOYSA-N -2 3 377.462 3.557 20 0 GHADHL O=C(Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21)N[C@@H]1CCc2ccccc21 ZINC001192993057 870808342 /nfs/dbraw/zinc/80/83/42/870808342.db2.gz AZVPVEOAIWUART-MRXNPFEDSA-N -2 3 398.440 3.601 20 0 GHADHL Cc1cc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1O ZINC001194012080 871431353 /nfs/dbraw/zinc/43/13/53/871431353.db2.gz ZJHIHOHDCXRTGZ-UHFFFAOYSA-N -2 3 394.207 3.646 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CC2CC2)c2cccc(F)c2)c(F)cc1F ZINC001195263776 872292293 /nfs/dbraw/zinc/29/22/93/872292293.db2.gz IBSFSUMJAWTQQH-MRXNPFEDSA-N -2 3 399.390 3.622 20 0 GHADHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc([O-])c(F)c1 ZINC000767292899 872382240 /nfs/dbraw/zinc/38/22/40/872382240.db2.gz YPYDRPNMZDQARE-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001196520252 873159512 /nfs/dbraw/zinc/15/95/12/873159512.db2.gz XTTMYMPHMVENTL-UHFFFAOYSA-N -2 3 399.291 3.874 20 0 GHADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1C ZINC000541305010 873326193 /nfs/dbraw/zinc/32/61/93/873326193.db2.gz WUOIQFAALKUEBM-GFCCVEGCSA-N -2 3 377.462 3.691 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccccc1Oc1ccccc1 ZINC001198470429 874424633 /nfs/dbraw/zinc/42/46/33/874424633.db2.gz HTZCREMZJADRAE-UHFFFAOYSA-N -2 3 399.424 3.772 20 0 GHADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(F)(F)F ZINC001198783039 874606421 /nfs/dbraw/zinc/60/64/21/874606421.db2.gz VPFAYKPSGWGHQY-UHFFFAOYSA-N -2 3 379.743 3.858 20 0 GHADHL Cc1cc(Cl)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000451065644 877322646 /nfs/dbraw/zinc/32/26/46/877322646.db2.gz RPVUIAGSWRULNU-UHFFFAOYSA-N -2 3 395.864 3.861 20 0 GHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1F ZINC000776561050 878014333 /nfs/dbraw/zinc/01/43/33/878014333.db2.gz GBRHKCOVBRMWOV-UHFFFAOYSA-N -2 3 397.399 3.785 20 0 GHADHL Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000475838263 884845237 /nfs/dbraw/zinc/84/52/37/884845237.db2.gz YALPQPKDNFCKCS-UHFFFAOYSA-N -2 3 382.441 3.864 20 0 GHADHL O=S(=O)(CCc1cccc(Cl)c1)[N-]c1ccc(Br)cc1[O-] ZINC000556799751 886195141 /nfs/dbraw/zinc/19/51/41/886195141.db2.gz HASADYBCDVVSNO-UHFFFAOYSA-N -2 3 390.686 3.793 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1C(=O)[O-] ZINC000322690893 887589185 /nfs/dbraw/zinc/58/91/85/887589185.db2.gz JICOATMXWOXPBZ-UHFFFAOYSA-N -2 3 398.278 3.819 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1ccc(Br)cc1Cl ZINC001184786339 913433158 /nfs/dbraw/zinc/43/31/58/913433158.db2.gz PZQFFQLUGZREKM-UHFFFAOYSA-N -2 3 398.065 3.657 20 0 GHADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000560417104 894294917 /nfs/dbraw/zinc/29/49/17/894294917.db2.gz KGVWUWYUQDYWPC-VIFPVBQESA-N -2 3 387.807 3.671 20 0 GHADHL Cc1c(=O)[n-]n(-c2ccccc2)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185484211 913901964 /nfs/dbraw/zinc/90/19/64/913901964.db2.gz BJYRREDHMCGEBL-UHFFFAOYSA-N -2 3 385.470 3.902 20 0 GHADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000325419287 895007915 /nfs/dbraw/zinc/00/79/15/895007915.db2.gz HPARQASDHBHPPS-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188242619 915819430 /nfs/dbraw/zinc/81/94/30/915819430.db2.gz RTKRHDVVPRDZMH-UHFFFAOYSA-N -2 3 387.166 3.914 20 0 GHADHL Cc1nc(-c2ccc(NC(=O)N[C@H](C(=O)[O-])C3CCCCCC3)cc2)cc(=O)[n-]1 ZINC000653472436 918253696 /nfs/dbraw/zinc/25/36/96/918253696.db2.gz PYIOCIWUOGBAIF-IBGZPJMESA-N -2 3 398.463 3.703 20 0 GHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1F ZINC000547611398 931147037 /nfs/dbraw/zinc/14/70/37/931147037.db2.gz FCYYZFSASGYYCW-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc2ccccc2c1 ZINC000560078524 933052269 /nfs/dbraw/zinc/05/22/69/933052269.db2.gz UAIZKAITZOJKCG-INIZCTEOSA-N -2 3 393.823 3.737 20 0 GHADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCCCC23CCCC3)c1F ZINC000327792851 971425228 /nfs/dbraw/zinc/42/52/28/971425228.db2.gz CZNPLLIXDWREKZ-AWEZNQCLSA-N -2 3 389.876 3.959 20 0 GHADHL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001594786934 953678012 /nfs/dbraw/zinc/67/80/12/953678012.db2.gz QKDXQFLBLJHEOS-OAQYLSRUSA-N -2 3 389.451 3.603 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2CCC(F)(F)CC2)c(F)cc1Cl ZINC001259224870 960691857 /nfs/dbraw/zinc/69/18/57/960691857.db2.gz SOJYMXGJDYBKLN-UHFFFAOYSA-N -2 3 399.818 3.671 20 0 GHADHL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC001322037601 961006695 /nfs/dbraw/zinc/00/66/95/961006695.db2.gz XFIMVAPGASQBFM-UHFFFAOYSA-N -2 3 391.489 3.947 20 0 GHADHL CC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001595443881 981084321 /nfs/dbraw/zinc/08/43/21/981084321.db2.gz DOHJHIARHXEDGV-GHMZBOCLSA-N -2 3 377.865 3.672 20 0 GHADHL CC(C)(C(=O)[O-])c1csc([N-]C(=O)c2cc(-c3c(F)cccc3F)no2)n1 ZINC001589656492 987620850 /nfs/dbraw/zinc/62/08/50/987620850.db2.gz OSBWUMFFJMEVQL-UHFFFAOYSA-N -2 3 393.371 3.691 20 0 GHADHL CC(C)(C)C[C@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)C(=O)[O-] ZINC001589761703 988090353 /nfs/dbraw/zinc/09/03/53/988090353.db2.gz GTHHWRKOWZXDQL-AWEZNQCLSA-N -2 3 386.477 3.562 20 0 GHADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)Cc1ccccc1 ZINC001590766528 990571603 /nfs/dbraw/zinc/57/16/03/990571603.db2.gz XGNGVZZCPMOULA-UHFFFAOYSA-N -2 3 399.871 3.725 20 0 GHADHL O=C(OCc1ccccc1)[C@@H](Oc1nc2ncnc-2c([S-])[n-]1)c1ccccc1 ZINC001226780017 1032124174 /nfs/dbraw/zinc/12/41/74/1032124174.db2.gz CIJGHPXKOVDWSY-INIZCTEOSA-N -2 3 392.440 3.505 20 0 GHADHL COCc1ncc(C(=O)[N-]c2ccc(Cl)cc2SCCC(=O)[O-])s1 ZINC001599304393 997288350 /nfs/dbraw/zinc/28/83/50/997288350.db2.gz MJUKFSIVHIHYPW-UHFFFAOYSA-N -2 3 386.882 3.762 20 0 GHADHL C[C@H](Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])c1cnc2ccccn21 ZINC001228120247 1032796355 /nfs/dbraw/zinc/79/63/55/1032796355.db2.gz RZMMCOXXGIOBTG-ZDUSSCGKSA-N -2 3 390.395 3.822 20 0 GHADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@H]1CCOc2ccccc21 ZINC001228124334 1032797548 /nfs/dbraw/zinc/79/75/48/1032797548.db2.gz ZILIDYCTLAIMPT-FQEVSTJZSA-N -2 3 378.380 3.937 20 0 GHADHL CC(C)Oc1ccc(COc2cc([O-])ccc2C(=O)c2ccc(O)cc2[O-])cn1 ZINC001228123511 1032798550 /nfs/dbraw/zinc/79/85/50/1032798550.db2.gz UJSNMYRTZZGJAE-UHFFFAOYSA-N -2 3 395.411 3.796 20 0 GHADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@H]1CCCc2cccnc21 ZINC001228120812 1032796835 /nfs/dbraw/zinc/79/68/35/1032796835.db2.gz YIKAYBLLPRMGQN-IBGZPJMESA-N -2 3 377.396 3.886 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c1ccccc1 ZINC000578595526 1020347911 /nfs/dbraw/zinc/34/79/11/1020347911.db2.gz VBZRHKJWYUIQKG-OAHLLOKOSA-N -2 3 393.848 3.541 20 0 GHADHL C[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1)C(F)(F)F ZINC001225625272 1031516488 /nfs/dbraw/zinc/51/64/88/1031516488.db2.gz GYPXWAOSDCDWJV-QMMMGPOBSA-N -2 3 382.290 3.906 20 0 GHADHL COc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@@H](C)C2CC2)ccc1O ZINC001229792050 1033718109 /nfs/dbraw/zinc/71/81/09/1033718109.db2.gz SYHNTDKKSJKZEN-JTQLQIEISA-N -2 3 384.384 3.763 20 0 GHADHL O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc(F)c([O-])c(Cl)c1 ZINC001161198596 1035176997 /nfs/dbraw/zinc/17/69/97/1035176997.db2.gz XMXKXXFPKOKTFB-UHFFFAOYSA-N -2 3 383.166 3.581 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cccnc2-c2ccc(F)c([O-])c2)cc1 ZINC001243051002 1036017937 /nfs/dbraw/zinc/01/79/37/1036017937.db2.gz ZJYLOWKOYXURKW-UHFFFAOYSA-N -2 3 388.420 3.793 20 0 GHADHL CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1[O-])C(=O)C2 ZINC001258973114 1044913118 /nfs/dbraw/zinc/91/31/18/1044913118.db2.gz UUKCLAFKVWHAMQ-QFYYESIMSA-N -2 3 391.411 3.548 20 0 GHADHL CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1[O-])C(=O)C2 ZINC001258986513 1044919341 /nfs/dbraw/zinc/91/93/41/1044919341.db2.gz UUKCLAFKVWHAMQ-QLJPJBMISA-N -2 3 391.411 3.548 20 0 GHADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[S-])cc1 ZINC001259176864 1044993054 /nfs/dbraw/zinc/99/30/54/1044993054.db2.gz PSGMVJUORNJESB-UHFFFAOYSA-N -2 3 375.393 3.998 20 0 GHADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2c(O)cc(C(F)(F)F)cc2Cl)c1 ZINC001260190546 1045406049 /nfs/dbraw/zinc/40/60/49/1045406049.db2.gz RUBJYIHIWCUQRB-UHFFFAOYSA-N -2 3 395.742 3.563 20 0 GHADHL O=c1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)n(C2CCCC2)[n-]1 ZINC001260466279 1045505787 /nfs/dbraw/zinc/50/57/87/1045505787.db2.gz MMISEEZZTQIQHU-UHFFFAOYSA-N -2 3 382.294 3.873 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1cccc(OC(F)(F)F)c1 ZINC001260499609 1045518433 /nfs/dbraw/zinc/51/84/33/1045518433.db2.gz GTCUVQBSVVICTM-UHFFFAOYSA-N -2 3 385.722 3.884 20 0 GHADHL O=c1[nH]c2ccc([N-]S(=O)(=O)c3cc(Cl)c([O-])c(Cl)c3)cc2s1 ZINC001260875015 1045730903 /nfs/dbraw/zinc/73/09/03/1045730903.db2.gz JFTQYFYWDNLAOO-UHFFFAOYSA-N -2 3 391.257 3.815 20 0 GHADHL COC(=O)c1cc(C)cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001260877428 1045734453 /nfs/dbraw/zinc/73/44/53/1045734453.db2.gz WXAANIARCCCZMK-UHFFFAOYSA-N -2 3 390.244 3.595 20 0 GHADHL O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(-c2cccc(F)c2)no1 ZINC001306825005 1048916320 /nfs/dbraw/zinc/91/63/20/1048916320.db2.gz AHUPBOUSUGRVQP-UHFFFAOYSA-N -2 3 399.769 3.877 20 0 GHADHL CCc1ccc2nc(-c3ccc([O-])c(I)c3)[n-]c(=O)c2c1 ZINC001321309834 1056219127 /nfs/dbraw/zinc/21/91/27/1056219127.db2.gz UYZRIFJAWMRXFF-UHFFFAOYSA-N -2 3 392.196 3.875 20 0 GHADHL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc([O-])ccc1Cl ZINC001325865191 1057375918 /nfs/dbraw/zinc/37/59/18/1057375918.db2.gz CDNOKPZVQKKMRN-UHFFFAOYSA-N -2 3 377.853 3.808 20 0 GHADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])cc2F)n1 ZINC000436477276 450602384 /nfs/dbraw/zinc/60/23/84/450602384.db2.gz LMJBCKYSCOYQRP-UHFFFAOYSA-N -2 3 395.843 3.788 20 0 GHADHL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1)C(C)C ZINC000451012117 450603339 /nfs/dbraw/zinc/60/33/39/450603339.db2.gz VUDPNODEORBGHU-UHFFFAOYSA-N -2 3 396.896 3.603 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c(Cl)c1 ZINC000328030045 599801332 /nfs/dbraw/zinc/80/13/32/599801332.db2.gz OZJRNWTVFXMHCP-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL O=C([O-])c1ccc2c(c1)CN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)C2 ZINC000740203648 600084252 /nfs/dbraw/zinc/08/42/52/600084252.db2.gz UINBLFIDYJXAQC-UHFFFAOYSA-N -2 3 393.424 3.871 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])ccc1N1CCCC1 ZINC000738463621 600103541 /nfs/dbraw/zinc/10/35/41/600103541.db2.gz MYPRONXJWMKAOM-UHFFFAOYSA-N -2 3 394.880 3.748 20 0 GHADHL O=C([O-])CCCc1nc(CSc2nnc([N-]c3ccccc3F)s2)no1 ZINC000739701808 600183982 /nfs/dbraw/zinc/18/39/82/600183982.db2.gz GFARHQBQIXLIAQ-UHFFFAOYSA-N -2 3 395.441 3.503 20 0 GHADHL O=C([O-])Nc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000740702008 602652665 /nfs/dbraw/zinc/65/26/65/602652665.db2.gz QLHJYGWOIZQAEW-UHFFFAOYSA-N -2 3 392.330 3.876 20 0 GHADHL C[C@H](NC(=O)[O-])C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000825288729 604221446 /nfs/dbraw/zinc/22/14/46/604221446.db2.gz RZAJPHCWKAFSQE-AWEZNQCLSA-N -2 3 384.432 3.693 20 0 GHADHL CCc1nc(SCCCSc2nc(CC)c(C)c(=O)[n-]2)[n-]c(=O)c1C ZINC000584362362 835915979 /nfs/dbraw/zinc/91/59/79/835915979.db2.gz WPGCHJIHHNFBBE-UHFFFAOYSA-N -2 3 380.539 3.694 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1-n1cccc1C(=O)[O-] ZINC000110142718 844268965 /nfs/dbraw/zinc/26/89/65/844268965.db2.gz HTKLQZDWYGQDMN-UHFFFAOYSA-N -2 3 392.383 3.563 20 0 GHADHL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3Cl)c2n1 ZINC000548229999 842227411 /nfs/dbraw/zinc/22/74/11/842227411.db2.gz QATRUYRTHKGKIA-UHFFFAOYSA-N -2 3 376.821 3.696 20 0 GHADHL CC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)ccc1C ZINC000582013460 845186239 /nfs/dbraw/zinc/18/62/39/845186239.db2.gz MWGSZCFFAXITBZ-UHFFFAOYSA-N -2 3 389.473 3.551 20 0 GHADHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000548542782 845442835 /nfs/dbraw/zinc/44/28/35/845442835.db2.gz CNSSTLRJTMGMFR-UHFFFAOYSA-N -2 3 387.807 3.528 20 0 GHADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000154737571 849365979 /nfs/dbraw/zinc/36/59/79/849365979.db2.gz NYDMDSLEGSSFSB-AWEZNQCLSA-N -2 3 395.242 3.648 20 0 GHADHL Cc1nc(C=CC2=Cc3cc(Cl)cc(Cl)c3OC2)[n-]c(=O)c1CC(=O)[O-] ZINC000504734096 850263455 /nfs/dbraw/zinc/26/34/55/850263455.db2.gz WTPXLQSWOLERNW-NSCUHMNNSA-N -2 3 393.226 3.914 20 0 GHADHL Cc1nc(C=Cc2ccc(Br)c(Cl)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504719792 850270466 /nfs/dbraw/zinc/27/04/66/850270466.db2.gz DMXYDGGAFGJEOY-HWKANZROSA-N -2 3 383.629 3.704 20 0 GHADHL Cc1nc(C=Cc2cc(Cl)ccc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504720878 850271352 /nfs/dbraw/zinc/27/13/52/850271352.db2.gz MVMWSUZLNSYUIM-DJWKRKHSSA-N -2 3 383.629 3.704 20 0 GHADHL Cc1sc([C@H]2CCCN2C(=O)CCCc2ccc([O-])c(F)c2)nc1C(=O)[O-] ZINC000910724831 851342377 /nfs/dbraw/zinc/34/23/77/851342377.db2.gz VBPVEEKLNLOIAJ-CQSZACIVSA-N -2 3 392.452 3.681 20 0 GHADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])ccc1Cl ZINC000436473920 851959069 /nfs/dbraw/zinc/95/90/69/851959069.db2.gz AMGDOWGGCAZGFZ-UHFFFAOYSA-N -3 3 395.742 3.563 20 0 GHADHL CCOC(=O)c1cnc(/C=C\c2ccc([O-])c(Br)c2)c(C(=O)[O-])c1 ZINC000436728871 852267879 /nfs/dbraw/zinc/26/78/79/852267879.db2.gz OOBCWWADUQJMME-HYXAFXHYSA-N -2 3 392.205 3.595 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1OC(C)C ZINC000438778927 852844050 /nfs/dbraw/zinc/84/40/50/852844050.db2.gz NCVRRXDDGMMYMF-UHFFFAOYSA-N -2 3 383.853 3.935 20 0 GHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000520404573 854176552 /nfs/dbraw/zinc/17/65/52/854176552.db2.gz UCIFYRBTWGKUSY-UHFFFAOYSA-N -2 3 389.473 3.770 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)c(C)c1C(=O)[O-] ZINC000673494669 859574426 /nfs/dbraw/zinc/57/44/26/859574426.db2.gz DRIWCFJPXBIIIN-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1csc(-c2cccc(S(=O)(=O)[N-]c3c(F)cccc3C(=O)[O-])c2)n1 ZINC000554532918 864490839 /nfs/dbraw/zinc/49/08/39/864490839.db2.gz XJWNHYCMZVLLAT-UHFFFAOYSA-N -2 3 392.433 3.757 20 0 GHADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000327193972 867028409 /nfs/dbraw/zinc/02/84/09/867028409.db2.gz ZMKIXPACTPFPJA-PWSUYJOCSA-N -2 3 399.818 3.671 20 0 GHADHL COc1ccc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3C)ccc2c1 ZINC000793430762 882181124 /nfs/dbraw/zinc/18/11/24/882181124.db2.gz LPSKDVZIQKJLKA-UHFFFAOYSA-N -2 3 389.404 3.795 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c(C)c1 ZINC000535399181 868689686 /nfs/dbraw/zinc/68/96/86/868689686.db2.gz BHTXBAHYZYGWOY-UHFFFAOYSA-N -2 3 377.462 3.520 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(C)C)cc1C(=O)[O-] ZINC001192649399 870557372 /nfs/dbraw/zinc/55/73/72/870557372.db2.gz ZANKJMMUWPKHHS-UHFFFAOYSA-N -2 3 381.425 3.847 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccccn3)c2)cc1C(=O)[O-] ZINC001192649416 870557773 /nfs/dbraw/zinc/55/77/73/870557773.db2.gz ZTIMEXFDTOLSTA-UHFFFAOYSA-N -2 3 398.440 3.646 20 0 GHADHL Cc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192712233 870635786 /nfs/dbraw/zinc/63/57/86/870635786.db2.gz CKQITOZPBLJXID-UHFFFAOYSA-N -2 3 397.452 3.926 20 0 GHADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000509644238 871063720 /nfs/dbraw/zinc/06/37/20/871063720.db2.gz UFBDEWGFFHIXNM-UHFFFAOYSA-N -2 3 397.880 3.947 20 0 GHADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000447259735 871275245 /nfs/dbraw/zinc/27/52/45/871275245.db2.gz WXKQODDRWUCWMB-UHFFFAOYSA-N -2 3 379.340 3.724 20 0 GHADHL O=S(=O)([N-]c1nccs1)c1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000552235866 872283239 /nfs/dbraw/zinc/28/32/39/872283239.db2.gz ZHUPNKIWFCLKET-UHFFFAOYSA-N -2 3 397.428 3.540 20 0 GHADHL CN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000182494736 872435112 /nfs/dbraw/zinc/43/51/12/872435112.db2.gz KARODKGWKSKULC-UHFFFAOYSA-N -2 3 388.832 3.590 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2cccc(Br)c2C)ccc1[S-] ZINC001196552099 873206971 /nfs/dbraw/zinc/20/69/71/873206971.db2.gz HYKIINUQQNRQNI-UHFFFAOYSA-N -2 3 388.308 3.856 20 0 GHADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1cc(Cl)c(Br)cc1F ZINC001196825443 873418445 /nfs/dbraw/zinc/41/84/45/873418445.db2.gz SBCNLZKGMSSZEX-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(F)c(Cl)c1F ZINC001198782427 874606283 /nfs/dbraw/zinc/60/62/83/874606283.db2.gz KBGOMVPTNSHWPT-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc2ccccc21 ZINC000771601340 875338683 /nfs/dbraw/zinc/33/86/83/875338683.db2.gz MPDCKBJUEJKQCS-UHFFFAOYSA-N -2 3 383.425 3.664 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1c(F)cccc1Br ZINC001200988703 875449268 /nfs/dbraw/zinc/44/92/68/875449268.db2.gz WFXGJWYOSGVKOH-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL O=C(Nc1cccc([O-])c1F)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000551919873 878023398 /nfs/dbraw/zinc/02/33/98/878023398.db2.gz SGNHPUXTXRCFCQ-UHFFFAOYSA-N -2 3 381.285 3.694 20 0 GHADHL O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1c([O-])cccc1F ZINC000130004740 884054080 /nfs/dbraw/zinc/05/40/80/884054080.db2.gz BROTUYDJEFBWTL-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL CC(C)(CCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000556773246 886112132 /nfs/dbraw/zinc/11/21/32/886112132.db2.gz PXASMPDBYTUATP-UHFFFAOYSA-N -2 3 387.807 3.528 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)cc2F)cc1C(=O)[O-] ZINC001184696238 913362950 /nfs/dbraw/zinc/36/29/50/913362950.db2.gz DRDDPBVHLAKFRZ-UHFFFAOYSA-N -2 3 395.305 3.791 20 0 GHADHL O=S(=O)([N-]c1cc(F)ccc1[O-])C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000125190930 892358003 /nfs/dbraw/zinc/35/80/03/892358003.db2.gz WTCNDDRFBMDDFE-UHFFFAOYSA-N -2 3 385.363 3.862 20 0 GHADHL CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000821173496 897778076 /nfs/dbraw/zinc/77/80/76/897778076.db2.gz PXHXUCLJZMERNP-UHFFFAOYSA-N -2 3 386.882 3.620 20 0 GHADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000569185442 898399144 /nfs/dbraw/zinc/39/91/44/898399144.db2.gz LAOFEGGHTCMXNI-LLVKDONJSA-N -2 3 382.309 3.943 20 0 GHADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])c1ccc(F)cc1 ZINC000629288835 906677337 /nfs/dbraw/zinc/67/73/37/906677337.db2.gz FLHNVJLCANNZGU-HNNXBMFYSA-N -2 3 393.358 3.680 20 0 GHADHL Cc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000642092520 911739678 /nfs/dbraw/zinc/73/96/78/911739678.db2.gz VNLBGJDOPDDFMC-JTQLQIEISA-N -2 3 394.301 3.858 20 0 GHADHL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(F)c4ccccc43)cc2)[n-]1 ZINC001189394533 916636939 /nfs/dbraw/zinc/63/69/39/916636939.db2.gz RDAHMODQZUVNIR-UHFFFAOYSA-N -2 3 383.404 3.671 20 0 GHADHL COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc([O-])cc(Cl)c1 ZINC001190260197 917216600 /nfs/dbraw/zinc/21/66/00/917216600.db2.gz WQLZXMWMKZIPHT-UHFFFAOYSA-N -2 3 381.759 3.874 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c(C)c1C ZINC000544098145 928804043 /nfs/dbraw/zinc/80/40/43/928804043.db2.gz DFHJPHSITKQARP-LBPRGKRZSA-N -2 3 377.462 3.691 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccc1 ZINC000559877921 932919470 /nfs/dbraw/zinc/91/94/70/932919470.db2.gz VBTDJCAKGITNMI-HNNXBMFYSA-N -2 3 393.848 3.889 20 0 GHADHL CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001595129665 979536722 /nfs/dbraw/zinc/53/67/22/979536722.db2.gz NVYBPKJGWXBTJE-ZDUSSCGKSA-N -2 3 399.871 3.867 20 0 GHADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CCC1 ZINC001595642284 981971506 /nfs/dbraw/zinc/97/15/06/981971506.db2.gz MVWACEUZCIRQMH-CYBMUJFWSA-N -2 3 377.865 3.815 20 0 GHADHL CC(C)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001591036546 991365073 /nfs/dbraw/zinc/36/50/73/991365073.db2.gz VXZJJWGUHROVKU-OAHLLOKOSA-N -2 3 396.534 3.814 20 0 GHADHL CC(C)C1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC001591081620 991593450 /nfs/dbraw/zinc/59/34/50/991593450.db2.gz JRUZXXAXPSECGZ-UHFFFAOYSA-N -2 3 377.865 3.670 20 0 GHADHL CC1(C)CC(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC(C)(C)C1 ZINC001593855243 996640669 /nfs/dbraw/zinc/64/06/69/996640669.db2.gz XDRXFGBEKHTNKD-UHFFFAOYSA-N -2 3 389.464 3.794 20 0 GHADHL COc1ccc(C(=O)[O-])c2c1CN(C(=O)c1cc3sccc3c([O-])c1)CC2 ZINC001599497558 997044982 /nfs/dbraw/zinc/04/49/82/997044982.db2.gz PAQSUBNVKDGASB-UHFFFAOYSA-N -2 3 383.425 3.512 20 0 GHADHL O=c1nc2nc(Br)[n-]c2c(O[C@@H]2CCc3ccc(Cl)cc32)[n-]1 ZINC001227598197 1032478443 /nfs/dbraw/zinc/47/84/43/1032478443.db2.gz VQZBBSLOXDEMRG-SECBINFHSA-N -2 3 381.617 3.541 20 0 GHADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000642316929 1021089216 /nfs/dbraw/zinc/08/92/16/1021089216.db2.gz VHCIJOLFUCPXPH-UHFFFAOYSA-N -2 3 383.400 3.896 20 0 GHADHL COc1cccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c1F ZINC001215471503 1029226458 /nfs/dbraw/zinc/22/64/58/1029226458.db2.gz ZVLNCNLZYHBCBS-UHFFFAOYSA-N -2 3 381.157 3.725 20 0 GHADHL CC(C)Oc1ccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)cn1 ZINC001215474190 1029230673 /nfs/dbraw/zinc/23/06/73/1029230673.db2.gz YFYXUWNJSZCLKP-UHFFFAOYSA-N -2 3 392.209 3.760 20 0 GHADHL CC1(C)CC[C@@H](COc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)O1 ZINC001225626838 1031517949 /nfs/dbraw/zinc/51/79/49/1031517949.db2.gz WQSWGAUUNTVEEW-HNNXBMFYSA-N -2 3 398.411 3.913 20 0 GHADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O[C@@H]2CCCCC2=O)cc1 ZINC001229673049 1033631521 /nfs/dbraw/zinc/63/15/21/1033631521.db2.gz WYWWZGJYYAOIIV-QGZVFWFLSA-N -2 3 396.395 3.770 20 0 GHADHL O=c1c(O[C@@H]2CCn3ccnc32)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001229771540 1033701728 /nfs/dbraw/zinc/70/17/28/1033701728.db2.gz IIXDMTRHALSMBX-OAHLLOKOSA-N -2 3 376.368 3.592 20 0 GHADHL COC(C[C@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1)OC ZINC001229774129 1033704324 /nfs/dbraw/zinc/70/43/24/1033704324.db2.gz OVSZJWVYCPGXAO-LBPRGKRZSA-N -2 3 386.400 3.648 20 0 GHADHL O=S(=O)(Cc1ccccc1)[N-]c1c(Cl)ccc(Br)c1[O-] ZINC001252892515 1039234515 /nfs/dbraw/zinc/23/45/15/1039234515.db2.gz GWNRDCDONISWJC-UHFFFAOYSA-N -2 3 376.659 3.750 20 0 GHADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2F)c1 ZINC001260189862 1045405260 /nfs/dbraw/zinc/40/52/60/1045405260.db2.gz LSKYUKIMDKNYEV-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL CC[C@H](C)S(=O)(=O)[N-]c1cc(Br)c(C(F)(F)F)cc1[O-] ZINC001260743929 1045635940 /nfs/dbraw/zinc/63/59/40/1045635940.db2.gz UXYGCLUQAUTMOZ-LURJTMIESA-N -2 3 376.194 3.714 20 0 GHADHL COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001260765907 1045647449 /nfs/dbraw/zinc/64/74/49/1045647449.db2.gz WBJCNAAPIJPLPA-UHFFFAOYSA-N -2 3 395.239 3.659 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1ccc(Br)c(F)c1 ZINC001260854830 1045714477 /nfs/dbraw/zinc/71/44/77/1045714477.db2.gz WMSNOXFNGNDJKO-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cc1OC ZINC001260876078 1045732280 /nfs/dbraw/zinc/73/22/80/1045732280.db2.gz OWHHSZKVNPUUQE-UHFFFAOYSA-N -2 3 378.233 3.517 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)cc1Cl ZINC001324856346 1057237164 /nfs/dbraw/zinc/23/71/64/1057237164.db2.gz ASRZQUKMWAYYSC-UHFFFAOYSA-N -2 3 392.658 3.618 20 0 GHADHL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001449246746 1060363022 /nfs/dbraw/zinc/36/30/22/1060363022.db2.gz ZEISYWCYCMIOJS-UHFFFAOYSA-N -2 3 388.383 3.928 20 0 GHADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000736449004 599853318 /nfs/dbraw/zinc/85/33/18/599853318.db2.gz VASBGWATKPLCJM-UHFFFAOYSA-N -2 3 377.462 3.539 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)ccc1OC(C)C ZINC000738477335 599853988 /nfs/dbraw/zinc/85/39/88/599853988.db2.gz VAZWGRHOICUIDO-UHFFFAOYSA-N -2 3 377.462 3.600 20 0 GHADHL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000740121998 600058053 /nfs/dbraw/zinc/05/80/53/600058053.db2.gz XFUFBBRTNUGJLR-UHFFFAOYSA-N -2 3 399.268 3.622 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)ccc1C(=O)[O-] ZINC000506569775 600887157 /nfs/dbraw/zinc/88/71/57/600887157.db2.gz FQADKGNXFPDKCS-UHFFFAOYSA-N -2 3 389.429 3.536 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)ccc1C(=O)[O-] ZINC000323534600 600888752 /nfs/dbraw/zinc/88/87/52/600888752.db2.gz MNVVVSUTERFEBM-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)cc1 ZINC000525535513 600897657 /nfs/dbraw/zinc/89/76/57/600897657.db2.gz AQIPPAKAICEIRV-UHFFFAOYSA-N -2 3 397.452 3.902 20 0 GHADHL Cc1oc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2cccs2)cc1C(=O)[O-] ZINC000833029079 601222415 /nfs/dbraw/zinc/22/24/15/601222415.db2.gz YMWFNUMELQMTES-HNNXBMFYSA-N -2 3 391.470 3.610 20 0 GHADHL O=C([O-])NCc1nc(C(=O)[N-]c2ccccc2SC(F)(F)F)cs1 ZINC000740685454 602699155 /nfs/dbraw/zinc/69/91/55/602699155.db2.gz KFARLKAWFYZKQK-UHFFFAOYSA-N -2 3 377.369 3.775 20 0 GHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000826939258 603400446 /nfs/dbraw/zinc/40/04/46/603400446.db2.gz FEQXRTHURMFKSU-ZDUSSCGKSA-N -2 3 378.450 3.605 20 0 GHADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(F)c(NC(=O)[O-])c3)c2)n1 ZINC000829894008 603473658 /nfs/dbraw/zinc/47/36/58/603473658.db2.gz MBNFHIUJDMLBHE-UHFFFAOYSA-N -2 3 383.335 3.606 20 0 GHADHL CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2C1 ZINC000833483472 605487818 /nfs/dbraw/zinc/48/78/18/605487818.db2.gz LQOFSUDJNIIXJD-UHFFFAOYSA-N -2 3 388.489 3.547 20 0 GHADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000548532735 845389263 /nfs/dbraw/zinc/38/92/63/845389263.db2.gz KHOWLCJPRSFSJC-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000560480165 848075478 /nfs/dbraw/zinc/07/54/78/848075478.db2.gz SCBCHJYYSFANMP-NSHDSACASA-N -2 3 379.450 3.674 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000515748611 851423118 /nfs/dbraw/zinc/42/31/18/851423118.db2.gz KQFKYJSRMXKGDP-UHFFFAOYSA-N -2 3 383.853 3.718 20 0 GHADHL Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436966724 852537980 /nfs/dbraw/zinc/53/79/80/852537980.db2.gz MTKVZPBYVNIDSH-UHFFFAOYSA-N -2 3 398.440 3.570 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc(C(=O)[O-])c1C ZINC000518429981 853336867 /nfs/dbraw/zinc/33/68/67/853336867.db2.gz KOOZBBFGQZRGMJ-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000013279013 857130750 /nfs/dbraw/zinc/13/07/50/857130750.db2.gz OHEUPTWVFCTARN-UHFFFAOYSA-N -2 3 389.429 3.617 20 0 GHADHL CSc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000326850238 858725203 /nfs/dbraw/zinc/72/52/03/858725203.db2.gz PRPRASDJLFVICX-UHFFFAOYSA-N -2 3 379.503 3.762 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c(Cl)c1 ZINC000509397566 859314639 /nfs/dbraw/zinc/31/46/39/859314639.db2.gz UURDSGFJVHONAB-UHFFFAOYSA-N -2 3 395.742 3.580 20 0 GHADHL COc1ccc(C(=O)/C=C\c2cc(Cl)c([O-])c(OC)c2)cc1CC(=O)[O-] ZINC000213557196 859410768 /nfs/dbraw/zinc/41/07/68/859410768.db2.gz YWNSQYJCXPHETR-HYXAFXHYSA-N -2 3 376.792 3.586 20 0 GHADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000479194703 867308363 /nfs/dbraw/zinc/30/83/63/867308363.db2.gz VFMRIZPFRHOUKJ-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1OC(F)F ZINC000793395748 882171337 /nfs/dbraw/zinc/17/13/37/882171337.db2.gz WEGLPWDYNACGJC-UHFFFAOYSA-N -2 3 389.351 3.543 20 0 GHADHL Cc1nc(COc2ccc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)cc2)cs1 ZINC000504712644 869541414 /nfs/dbraw/zinc/54/14/14/869541414.db2.gz RGHBFMVIILPDGS-VMPITWQZSA-N -2 3 397.456 3.632 20 0 GHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3sccc3C)c2)n1 ZINC000525017729 869896144 /nfs/dbraw/zinc/89/61/44/869896144.db2.gz IKMLSOSQCWASDD-UHFFFAOYSA-N -2 3 375.475 3.582 20 0 GHADHL O=C(NCCCCP(=O)([O-])[O-])c1cc(-c2ccccc2)oc1C(F)(F)F ZINC001193796748 871311452 /nfs/dbraw/zinc/31/14/52/871311452.db2.gz OBZLBGDKUMCZHI-UHFFFAOYSA-N -2 3 391.282 3.653 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ncc2Cl)c(Cl)cc1F ZINC001193971784 871409560 /nfs/dbraw/zinc/40/95/60/871409560.db2.gz LPEBBJCJQNFGME-UHFFFAOYSA-N -2 3 399.614 3.680 20 0 GHADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1 ZINC000462097877 871588102 /nfs/dbraw/zinc/58/81/02/871588102.db2.gz BBUKZFYULUYXMU-UHFFFAOYSA-N -2 3 377.462 3.539 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2F)c(F)cc1F ZINC001195263892 872291445 /nfs/dbraw/zinc/29/14/45/872291445.db2.gz NIOOFEIDKRSPBN-MRXNPFEDSA-N -2 3 399.390 3.622 20 0 GHADHL O=P([O-])([O-])CCCCNC(=S)Nc1ccc(Cl)c(Cl)c1Cl ZINC001198119479 874241520 /nfs/dbraw/zinc/24/15/20/874241520.db2.gz PBVWGROOOOKROX-UHFFFAOYSA-N -2 3 391.644 3.891 20 0 GHADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)cc(Br)c2[O-])c1 ZINC000530895642 878701242 /nfs/dbraw/zinc/70/12/42/878701242.db2.gz OBLPVOONIDVAFS-UHFFFAOYSA-N -2 3 399.628 3.724 20 0 GHADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC(F)(F)C(=O)[O-])cc2)CC)n1 ZINC000789828618 879289545 /nfs/dbraw/zinc/28/95/45/879289545.db2.gz AGOXQGPGJZCDJM-JLHYYAGUSA-N -2 3 378.375 3.729 20 0 GHADHL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)cc1 ZINC000476276759 884338384 /nfs/dbraw/zinc/33/83/84/884338384.db2.gz YAQMRABQYYQBEB-UHFFFAOYSA-N -2 3 384.251 3.511 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2-c2csc(C)n2)c1 ZINC000475836566 884858171 /nfs/dbraw/zinc/85/81/71/884858171.db2.gz UZJMEFBBUKRBSY-UHFFFAOYSA-N -2 3 376.459 3.634 20 0 GHADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000556703310 885949325 /nfs/dbraw/zinc/94/93/25/885949325.db2.gz VPCSKAQRLRSIEH-GXFFZTMASA-N -2 3 397.390 3.546 20 0 GHADHL Cc1ccc(C)c(OCCCC(C)(C)C(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001180933139 910436534 /nfs/dbraw/zinc/43/65/34/910436534.db2.gz BBECIIKDJUFRGA-UHFFFAOYSA-N -2 3 385.441 3.563 20 0 GHADHL O=C(NCCCCP(=O)([O-])[O-])c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC001190028904 917064485 /nfs/dbraw/zinc/06/44/85/917064485.db2.gz LPXZBGRLTILPLF-UHFFFAOYSA-N -2 3 394.113 3.700 20 0 GHADHL O=C(Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21)NC1CCCCCC1 ZINC001191270261 917883214 /nfs/dbraw/zinc/88/32/14/917883214.db2.gz MLGXMTYLCAOIDQ-UHFFFAOYSA-N -2 3 378.450 3.636 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1ccc(F)cc1Br ZINC001191365152 917966925 /nfs/dbraw/zinc/96/69/25/917966925.db2.gz VHGNEBFPQLVWKL-UHFFFAOYSA-N -2 3 398.612 3.887 20 0 GHADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1Cl ZINC000392304056 972468595 /nfs/dbraw/zinc/46/85/95/972468595.db2.gz AXZCJPGXULKBLD-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@](C)(C(=O)[O-])c1ccccc1 ZINC001574212332 962916833 /nfs/dbraw/zinc/91/68/33/962916833.db2.gz CXCGKOPGUCYGEB-QGZVFWFLSA-N -2 3 383.778 3.557 20 0 GHADHL C[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)c1ccccc1 ZINC001592521604 978375138 /nfs/dbraw/zinc/37/51/38/978375138.db2.gz XBFLMKICACXBHY-LLVKDONJSA-N -2 3 385.844 3.649 20 0 GHADHL CSc1ccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC001599812444 988360887 /nfs/dbraw/zinc/36/08/87/988360887.db2.gz WOQDQVXPSZHBGR-CQSZACIVSA-N -2 3 397.543 3.625 20 0 GHADHL CN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598036936 990265454 /nfs/dbraw/zinc/26/54/54/990265454.db2.gz SOLJXVSQCXOGPZ-MRXNPFEDSA-N -2 3 386.206 3.665 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)c(C)c1C ZINC001599617605 994037336 /nfs/dbraw/zinc/03/73/36/994037336.db2.gz BOWWKTDYIFNCDL-UHFFFAOYSA-N -2 3 395.502 3.680 20 0 GHADHL COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC001599654262 994553400 /nfs/dbraw/zinc/55/34/00/994553400.db2.gz VWYQJYRDJPWECV-QFIPXVFZSA-N -2 3 379.412 3.674 20 0 GHADHL C[C@H](Oc1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1F)C(=O)[O-] ZINC001593632407 995919963 /nfs/dbraw/zinc/91/99/63/995919963.db2.gz UNJCGJVKVLGPMV-VIFPVBQESA-N -2 3 375.377 3.850 20 0 GHADHL C[C@]1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCCC[C@@H]1C(=O)[O-] ZINC001594056121 997794523 /nfs/dbraw/zinc/79/45/23/997794523.db2.gz MWMAXGALEQHWAT-XXBNENTESA-N -2 3 381.472 3.941 20 0 GHADHL O=c1nc2nc(Br)[n-]c2c(O[C@H]2CCc3ccc(Cl)cc32)[n-]1 ZINC001227598204 1032478567 /nfs/dbraw/zinc/47/85/67/1032478567.db2.gz VQZBBSLOXDEMRG-VIFPVBQESA-N -2 3 381.617 3.541 20 0 GHADHL COc1c(F)c(F)ccc1-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215471283 1029227663 /nfs/dbraw/zinc/22/76/63/1029227663.db2.gz VASQCXNOKCZOLH-UHFFFAOYSA-N -2 3 399.147 3.864 20 0 GHADHL O=S(=O)([N-]c1ccc(-c2nc(-c3ccccc3)no2)c([O-])c1)c1ccccc1 ZINC001216955622 1030028666 /nfs/dbraw/zinc/02/86/66/1030028666.db2.gz DGRGYPQDIOZTTB-UHFFFAOYSA-N -2 3 393.424 3.910 20 0 GHADHL CCCCOC(=O)[C@@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001229771760 1033702889 /nfs/dbraw/zinc/70/28/89/1033702889.db2.gz PUHKKNKYYVUAMB-CYBMUJFWSA-N -2 3 398.411 3.982 20 0 GHADHL COC(=O)[C@@H]1CC[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)C1 ZINC001229775025 1033705822 /nfs/dbraw/zinc/70/58/22/1033705822.db2.gz WZKFPBJMOLJIHX-HIFRSBDPSA-N -2 3 396.395 3.592 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cccnc2-c2cccc([O-])c2F)cc1 ZINC001243542128 1036202349 /nfs/dbraw/zinc/20/23/49/1036202349.db2.gz LSQGJQIJGDOGGU-UHFFFAOYSA-N -2 3 388.420 3.793 20 0 GHADHL CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC001291661431 1043380711 /nfs/dbraw/zinc/38/07/11/1043380711.db2.gz SWRNGUPOUYYFIR-GFCCVEGCSA-N -2 3 396.896 3.765 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc(Cl)c1Cl ZINC001260400660 1045487996 /nfs/dbraw/zinc/48/79/96/1045487996.db2.gz YGCUPBWANVISOK-UHFFFAOYSA-N -2 3 376.217 3.506 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c2ccccc2n1 ZINC001260867499 1045724011 /nfs/dbraw/zinc/72/40/11/1045724011.db2.gz ZZMJHPACDHSGEE-UHFFFAOYSA-N -2 3 383.256 3.778 20 0 GHADHL O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875294 1045731832 /nfs/dbraw/zinc/73/18/32/1045731832.db2.gz PDOKGINGDHMCBZ-UHFFFAOYSA-N -2 3 384.244 3.686 20 0 GHADHL O=S(=O)([N-]c1ccc2c(c1)[C@@H](O)CCC2)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260877384 1045733718 /nfs/dbraw/zinc/73/37/18/1045733718.db2.gz UYZQOMBBYCJWMN-HNNXBMFYSA-N -2 3 388.272 3.870 20 0 GHADHL O=c1cc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n(C2CCCC2)[n-]1 ZINC001261004734 1045822259 /nfs/dbraw/zinc/82/22/59/1045822259.db2.gz GBBDFQLGDUUBAS-UHFFFAOYSA-N -2 3 393.362 3.663 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1ccc(F)cc1Cl ZINC001321826351 1056409737 /nfs/dbraw/zinc/40/97/37/1056409737.db2.gz YQFXASUQCPOGML-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc(F)c([O-])c1 ZINC001442373923 1058953911 /nfs/dbraw/zinc/95/39/11/1058953911.db2.gz ISYMPXKJIZQYNJ-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cccc([O-])c1F ZINC001464183262 1064893844 /nfs/dbraw/zinc/89/38/44/1064893844.db2.gz UMAPOQOPNDSFMN-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])cc2)n[nH]1 ZINC000436474374 450602995 /nfs/dbraw/zinc/60/29/95/450602995.db2.gz COPWFSUACLUYMD-UHFFFAOYSA-N -2 3 379.825 3.670 20 0 GHADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000736448222 600300179 /nfs/dbraw/zinc/30/01/79/600300179.db2.gz JSDRIIFASKVZFG-UHFFFAOYSA-N -2 3 392.477 3.632 20 0 GHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000484957872 600898750 /nfs/dbraw/zinc/89/87/50/600898750.db2.gz DHOHUGHMOULUDY-UHFFFAOYSA-N -2 3 377.462 3.638 20 0 GHADHL Cc1oc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2cccs2)cc1C(=O)[O-] ZINC000833029083 601222486 /nfs/dbraw/zinc/22/24/86/601222486.db2.gz YMWFNUMELQMTES-OAHLLOKOSA-N -2 3 391.470 3.610 20 0 GHADHL O=C([O-])c1cc(-c2csc([N-]C(=O)c3c(F)c(F)cc(F)c3F)n2)c[nH]1 ZINC000833294467 601451223 /nfs/dbraw/zinc/45/12/23/601451223.db2.gz QXFGIZYMYNMBJO-UHFFFAOYSA-N -2 3 385.298 3.645 20 0 GHADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(N2CCCCCC2)cc1 ZINC000833295546 601848138 /nfs/dbraw/zinc/84/81/38/601848138.db2.gz ZHJKUHKCNFOACE-UHFFFAOYSA-N -2 3 392.452 3.705 20 0 GHADHL O=C([O-])Nc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000833287272 604325730 /nfs/dbraw/zinc/32/57/30/604325730.db2.gz AHHOQWPDHSPAJT-UHFFFAOYSA-N -2 3 380.198 3.566 20 0 GHADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833504944 605118645 /nfs/dbraw/zinc/11/86/45/605118645.db2.gz RXHJDQWSJUTFRS-DHZHZOJOSA-N -2 3 378.425 3.545 20 0 GHADHL O=C([O-])N1CC[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)C1 ZINC000834053706 605768409 /nfs/dbraw/zinc/76/84/09/605768409.db2.gz AAXXUUIXHYYZLI-NSHDSACASA-N -2 3 383.429 3.607 20 0 GHADHL CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000825626943 608761946 /nfs/dbraw/zinc/76/19/46/608761946.db2.gz QYWVPHDBLXVPHD-UHFFFAOYSA-N -2 3 394.218 3.530 20 0 GHADHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000825626943 608761947 /nfs/dbraw/zinc/76/19/47/608761947.db2.gz QYWVPHDBLXVPHD-UHFFFAOYSA-N -2 3 394.218 3.530 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(C)c1 ZINC000471135782 834894660 /nfs/dbraw/zinc/89/46/60/834894660.db2.gz DZJFYVIKZXTVOH-UHFFFAOYSA-N -2 3 377.462 3.900 20 0 GHADHL O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc([O-])cc1F ZINC000181134997 838575825 /nfs/dbraw/zinc/57/58/25/838575825.db2.gz DFVYCTCHOICVRC-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c1C ZINC000109593582 841980500 /nfs/dbraw/zinc/98/05/00/841980500.db2.gz SRRTZVZQLUTFLW-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000548207388 842164617 /nfs/dbraw/zinc/16/46/17/842164617.db2.gz GWIMJQYVCQATMS-UHFFFAOYSA-N -2 3 377.462 3.898 20 0 GHADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000391888907 843244605 /nfs/dbraw/zinc/24/46/05/843244605.db2.gz ARJHYUDJJUBQMX-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000432758112 843723501 /nfs/dbraw/zinc/72/35/01/843723501.db2.gz OWDHTCBYCAAXDA-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c(C)c1C(=O)[O-] ZINC000512734963 845246017 /nfs/dbraw/zinc/24/60/17/845246017.db2.gz VSLPQYWSHQNQQJ-UHFFFAOYSA-N -2 3 377.462 3.727 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)c(C)c1C(=O)[O-] ZINC000512752334 845338760 /nfs/dbraw/zinc/33/87/60/845338760.db2.gz MXVVJULDFILYNI-UHFFFAOYSA-N -2 3 375.446 3.516 20 0 GHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1F ZINC000548591394 845701838 /nfs/dbraw/zinc/70/18/38/845701838.db2.gz IOPRAESSCLGSLI-UHFFFAOYSA-N -2 3 396.198 3.912 20 0 GHADHL Cc1sc2nc(-c3ccc(I)c([O-])c3)[n-]c(=O)c2c1C ZINC000582080215 846245298 /nfs/dbraw/zinc/24/52/98/846245298.db2.gz UAXZRTIIALPORG-UHFFFAOYSA-N -2 3 398.225 3.991 20 0 GHADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000504657562 850202212 /nfs/dbraw/zinc/20/22/12/850202212.db2.gz GAGHURCVJOWHJC-ZDUSSCGKSA-N -2 3 395.502 3.678 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000504704293 850247173 /nfs/dbraw/zinc/24/71/73/850247173.db2.gz VIHNSPHMNXSLTE-CQSZACIVSA-N -2 3 379.503 3.978 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000504694054 850259869 /nfs/dbraw/zinc/25/98/69/850259869.db2.gz DMEQNPXNEFPBKX-ZDUSSCGKSA-N -2 3 395.502 3.760 20 0 GHADHL CCCOc1c(Cl)cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OC ZINC000504729304 850276170 /nfs/dbraw/zinc/27/61/70/850276170.db2.gz JAZXLCBRAMUBNU-WAYWQWQTSA-N -2 3 392.839 3.739 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cc1C ZINC000435717828 850801868 /nfs/dbraw/zinc/80/18/68/850801868.db2.gz SCDMBWQIJYRRMM-UHFFFAOYSA-N -2 3 383.853 3.773 20 0 GHADHL O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc(F)cc(Cl)c1[O-] ZINC000436911424 852478879 /nfs/dbraw/zinc/47/88/79/852478879.db2.gz APAHGQLRLFCXTJ-UHFFFAOYSA-N -2 3 383.166 3.581 20 0 GHADHL O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc([O-])c(-c2nc(C3CC3)no2)c1 ZINC000436895871 852481863 /nfs/dbraw/zinc/48/18/63/852481863.db2.gz ZIEWXRWPKIJPCY-UHFFFAOYSA-N -2 3 391.836 3.774 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)c1 ZINC000507617865 853113485 /nfs/dbraw/zinc/11/34/85/853113485.db2.gz QUTQHRXPXDHOFX-UHFFFAOYSA-N -2 3 386.401 3.749 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000028260680 855994030 /nfs/dbraw/zinc/99/40/30/855994030.db2.gz WIGCPMJATHRRQM-UHFFFAOYSA-N -2 3 375.446 3.815 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000032589631 856242579 /nfs/dbraw/zinc/24/25/79/856242579.db2.gz PZGIQEMIQNSRAF-UHFFFAOYSA-N -2 3 391.779 3.749 20 0 GHADHL CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000607616036 864560793 /nfs/dbraw/zinc/56/07/93/864560793.db2.gz POSKAIRLOXEQRF-UHFFFAOYSA-N -2 3 377.462 3.682 20 0 GHADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000555119535 865541219 /nfs/dbraw/zinc/54/12/19/865541219.db2.gz LZHWXQGPZOBNDL-UHFFFAOYSA-N -2 3 375.377 3.514 20 0 GHADHL CSCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1 ZINC000609015919 865890497 /nfs/dbraw/zinc/89/04/97/865890497.db2.gz NIFBRMUSFJSBCE-UHFFFAOYSA-N -2 3 379.503 3.708 20 0 GHADHL CCc1cccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000523590703 867595072 /nfs/dbraw/zinc/59/50/72/867595072.db2.gz ZBHVJBNSDOZDIC-UHFFFAOYSA-N -2 3 377.462 3.602 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)cc(F)c1Cl ZINC000793323869 882099987 /nfs/dbraw/zinc/09/99/87/882099987.db2.gz XNTMDZXITBMMJN-SECBINFHSA-N -2 3 399.818 3.671 20 0 GHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793366556 882132388 /nfs/dbraw/zinc/13/23/88/882132388.db2.gz BTYXQNGFPBIKAN-UHFFFAOYSA-N -2 3 381.425 3.729 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)c(C)c2)cc1C(=O)[O-] ZINC000479563941 868071560 /nfs/dbraw/zinc/07/15/60/868071560.db2.gz DYMDAPCOVXOLTI-UHFFFAOYSA-N -2 3 375.446 3.770 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(F)CCCCC2)c(Cl)cc1Cl ZINC001192439642 870400290 /nfs/dbraw/zinc/40/02/90/870400290.db2.gz PNHAJFWNOOOCSV-UHFFFAOYSA-N -2 3 384.256 3.642 20 0 GHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(Cc3ccccc3)c2)cc1 ZINC001192677960 870595313 /nfs/dbraw/zinc/59/53/13/870595313.db2.gz WEYWPMISGWUUHE-UHFFFAOYSA-N -2 3 397.452 3.542 20 0 GHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)cc1 ZINC001192714566 870637416 /nfs/dbraw/zinc/63/74/16/870637416.db2.gz VWRNVVXCSXEASF-UHFFFAOYSA-N -2 3 383.425 3.618 20 0 GHADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1 ZINC000447275190 871342769 /nfs/dbraw/zinc/34/27/69/871342769.db2.gz SKUBBUZESDDKCP-UHFFFAOYSA-N -2 3 375.377 3.514 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(COc3ccccc3)cc2)c1 ZINC000540498974 871429725 /nfs/dbraw/zinc/42/97/25/871429725.db2.gz VKFJJCCYWZZMOI-UHFFFAOYSA-N -2 3 385.441 3.781 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)C2CCC2)c(F)cc1F ZINC001195258957 872288479 /nfs/dbraw/zinc/28/84/79/872288479.db2.gz VUGGIJHITVBAFA-KRWDZBQOSA-N -2 3 399.390 3.622 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)c(F)cc1F ZINC001195269378 872295561 /nfs/dbraw/zinc/29/55/61/872295561.db2.gz YYEHMEURUMCPNY-UONOGXRCSA-N -2 3 395.427 3.668 20 0 GHADHL O=c1[n-]cnc([O-])c1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001196355911 873052309 /nfs/dbraw/zinc/05/23/09/873052309.db2.gz HTSBRKNJVPPYBX-UHFFFAOYSA-N -2 3 398.288 3.734 20 0 GHADHL CCOC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c([O-])c1 ZINC000768879411 873642012 /nfs/dbraw/zinc/64/20/12/873642012.db2.gz CBWDASUJXMNLGO-CMDGGOBGSA-N -2 3 381.837 3.635 20 0 GHADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c([O-])c1 ZINC001197607033 873939341 /nfs/dbraw/zinc/93/93/41/873939341.db2.gz DWNUJVNPNQLRPP-UHFFFAOYSA-N -2 3 399.415 3.568 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201351411 875654138 /nfs/dbraw/zinc/65/41/38/875654138.db2.gz JKVFAUOEULVZNC-UHFFFAOYSA-N -2 3 387.166 3.914 20 0 GHADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000776442152 876507340 /nfs/dbraw/zinc/50/73/40/876507340.db2.gz FIKPMQNMAQNDPA-UHFFFAOYSA-N -2 3 388.228 3.695 20 0 GHADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000392707883 879032515 /nfs/dbraw/zinc/03/25/15/879032515.db2.gz YCDXSWVVYNLPOJ-TZMCWYRMSA-N -2 3 399.818 3.671 20 0 GHADHL O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)[N-]OCc1ccccc1 ZINC000010319304 880546869 /nfs/dbraw/zinc/54/68/69/880546869.db2.gz MOUCPAHJZCOMAL-UHFFFAOYSA-N -2 3 397.500 3.867 20 0 GHADHL O=C(Nc1ccc(Br)cc1[O-])c1ccc(Br)c([O-])c1 ZINC000135885386 883581735 /nfs/dbraw/zinc/58/17/35/883581735.db2.gz IBQVHADBQNQOEE-UHFFFAOYSA-N -2 3 387.027 3.875 20 0 GHADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000057481027 884898554 /nfs/dbraw/zinc/89/85/54/884898554.db2.gz JXYKRQFMKSZZFY-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000055311352 886044118 /nfs/dbraw/zinc/04/41/18/886044118.db2.gz SRJGOPSDIIQDOZ-UHFFFAOYSA-N -2 3 394.630 3.503 20 0 GHADHL Cc1cc2c(o1)CC(C)(C)C[C@H]2[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000871817349 891021997 /nfs/dbraw/zinc/02/19/97/891021997.db2.gz BVCOECZTEJHVOZ-CYBMUJFWSA-N -2 3 399.415 3.556 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1C(=O)[O-] ZINC000498020473 892986123 /nfs/dbraw/zinc/98/61/23/892986123.db2.gz MGTHLAQLZGHGBX-UHFFFAOYSA-N -2 3 380.441 3.707 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)c1 ZINC000537197031 894524490 /nfs/dbraw/zinc/52/44/90/894524490.db2.gz GWNPJRWSIVHBPZ-UHFFFAOYSA-N -2 3 393.408 3.698 20 0 GHADHL O=C([O-])c1nc(C=Cc2ccc(-c3nnn[n-]3)cc2)sc1-c1ccccc1 ZINC000826462025 900680201 /nfs/dbraw/zinc/68/02/01/900680201.db2.gz MHINDHRLVLTRCB-FLIBITNWSA-N -2 3 375.413 3.859 20 0 GHADHL O=C([O-])c1nc(C=Cc2ccc(-c3nn[n-]n3)cc2)sc1-c1ccccc1 ZINC000826462025 900680211 /nfs/dbraw/zinc/68/02/11/900680211.db2.gz MHINDHRLVLTRCB-FLIBITNWSA-N -2 3 375.413 3.859 20 0 GHADHL C[C@H](C(=O)NCCCCP(=O)([O-])[O-])c1cccc(Oc2ccccc2)c1 ZINC001182743711 912022835 /nfs/dbraw/zinc/02/28/35/912022835.db2.gz XLNXLCWOBKLIOQ-HNNXBMFYSA-N -2 3 377.377 3.657 20 0 GHADHL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(Cl)c1 ZINC001187589889 915352536 /nfs/dbraw/zinc/35/25/36/915352536.db2.gz RLBDLEZKHQCOGI-UHFFFAOYSA-N -2 3 388.228 3.695 20 0 GHADHL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1Cl ZINC001187582579 915377149 /nfs/dbraw/zinc/37/71/49/915377149.db2.gz UWNCQNFOUDSAOD-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C(C)C ZINC001192140815 918475184 /nfs/dbraw/zinc/47/51/84/918475184.db2.gz JHLOMKRGDGROSA-UHFFFAOYSA-N -2 3 377.462 3.637 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000410423317 925631355 /nfs/dbraw/zinc/63/13/55/925631355.db2.gz ODTYUPUHXUBQSZ-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c(C)c1C ZINC000544098144 928804218 /nfs/dbraw/zinc/80/42/18/928804218.db2.gz DFHJPHSITKQARP-GFCCVEGCSA-N -2 3 377.462 3.691 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc(C(=O)[O-])c1Cl ZINC000759096468 930272246 /nfs/dbraw/zinc/27/22/46/930272246.db2.gz YSKWDRXKHIDNBU-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(F)c([O-])c(F)c3)nc(=O)c2c1C ZINC000759537907 930396266 /nfs/dbraw/zinc/39/62/66/930396266.db2.gz FMVBWBDFPJOGSQ-SSDOTTSWSA-N -2 3 380.372 3.916 20 0 GHADHL Cc1nc(C=Cc2ccc(OCc3ccccc3)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000470267935 930500502 /nfs/dbraw/zinc/50/05/02/930500502.db2.gz UMIASQYBFPHCFB-XFXZXTDPSA-N -2 3 376.412 3.867 20 0 GHADHL O=C(Nc1cc(Cl)ccc1[O-])c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000782751923 931324350 /nfs/dbraw/zinc/32/43/50/931324350.db2.gz JLDOOQVPLASGND-UHFFFAOYSA-N -2 3 394.758 3.559 20 0 GHADHL C[C@]([N-]C(=O)C(F)(F)c1cccc(Br)c1)(C(=O)[O-])c1ccccc1 ZINC001573609882 959471251 /nfs/dbraw/zinc/47/12/51/959471251.db2.gz AVWJNKHIRQEXDI-MRXNPFEDSA-N -2 3 398.203 3.657 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)c(F)cc1Cl ZINC001259224784 960691377 /nfs/dbraw/zinc/69/13/77/960691377.db2.gz QKXFKNBKHJGFDN-UHFFFAOYSA-N -2 3 383.828 3.535 20 0 GHADHL Cc1cccc([C@H](NCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C(=O)[O-])c1 ZINC001605329788 973203157 /nfs/dbraw/zinc/20/31/57/973203157.db2.gz LJRPYAGRSOCUNK-KRWDZBQOSA-N -2 3 395.440 3.881 20 0 GHADHL CCCCOc1ccc(C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])c([O-])c1 ZINC001595776913 982545349 /nfs/dbraw/zinc/54/53/49/982545349.db2.gz MOVXSVXCGJRDJR-QGZVFWFLSA-N -2 3 385.460 3.553 20 0 GHADHL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1)C(=O)[O-] ZINC000545209828 1015657570 /nfs/dbraw/zinc/65/75/70/1015657570.db2.gz CLIQSKDQYUQHIT-MRXNPFEDSA-N -2 3 391.489 3.766 20 0 GHADHL CC1(C)CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@H](c2ccccc2)C1 ZINC001593882465 996713792 /nfs/dbraw/zinc/71/37/92/996713792.db2.gz SMLXJAHGWYAFSG-JKSUJKDBSA-N -2 3 377.462 3.619 20 0 GHADHL CC1(C)CCC[C@]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)(C(=O)[O-])C1 ZINC001593899675 996766334 /nfs/dbraw/zinc/76/63/34/996766334.db2.gz RLUZISUXFSBIOF-OAHLLOKOSA-N -2 3 380.293 3.695 20 0 GHADHL C[C@]1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCCC[C@H]1C(=O)[O-] ZINC001594056119 997795127 /nfs/dbraw/zinc/79/51/27/997795127.db2.gz MWMAXGALEQHWAT-CVDCTZTESA-N -2 3 381.472 3.941 20 0 GHADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000681576764 1022308735 /nfs/dbraw/zinc/30/87/35/1022308735.db2.gz WHABKJMLVBQILQ-GFCCVEGCSA-N -2 3 388.272 3.530 20 0 GHADHL O=C([O-])CCC(=O)Nc1ccc(Nc2cc(Br)cc(F)c2[O-])cc1 ZINC001213194061 1028038851 /nfs/dbraw/zinc/03/88/51/1028038851.db2.gz DMMRKBPIAWQZNK-UHFFFAOYSA-N -2 3 397.200 3.841 20 0 GHADHL COc1c(F)cc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)cc1F ZINC001215471264 1029227128 /nfs/dbraw/zinc/22/71/28/1029227128.db2.gz UHCWSHINVNDIJI-UHFFFAOYSA-N -2 3 399.147 3.864 20 0 GHADHL COC([O-])=NC(=S)N(c1ccccc1N)c1ccc(Cl)c(C(=O)[O-])c1F ZINC001215700399 1029355278 /nfs/dbraw/zinc/35/52/78/1029355278.db2.gz POIJNTAVSCTKEA-UHFFFAOYSA-N -2 3 397.815 3.539 20 0 GHADHL O=C(Nc1ccc(I)cc1[O-])c1c([O-])cccc1Cl ZINC001154103991 1031928370 /nfs/dbraw/zinc/92/83/70/1031928370.db2.gz JKBPTUUYLPANHB-UHFFFAOYSA-N -2 3 389.576 3.608 20 0 GHADHL CC(C)c1nc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cc(C(C)(C)C)n1 ZINC001157159029 1033437709 /nfs/dbraw/zinc/43/77/09/1033437709.db2.gz FOKGQYOELASCCV-UHFFFAOYSA-N -2 3 389.436 3.982 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cccnc2-c2ccc([O-])cc2F)cc1 ZINC001206037718 1033697203 /nfs/dbraw/zinc/69/72/03/1033697203.db2.gz MPOIHIYGTPXORQ-UHFFFAOYSA-N -2 3 388.420 3.793 20 0 GHADHL O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001158792564 1034273145 /nfs/dbraw/zinc/27/31/45/1034273145.db2.gz FUALVLBDODJIDY-HOMQSWHASA-N -2 3 382.247 3.651 20 0 GHADHL Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(Br)c([O-])c1 ZINC001256589163 1043557204 /nfs/dbraw/zinc/55/72/04/1043557204.db2.gz ZIONAMFFMQYLBZ-UHFFFAOYSA-N -2 3 393.262 3.812 20 0 GHADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1ccccc1OC(F)(F)F ZINC001257972679 1044294297 /nfs/dbraw/zinc/29/42/97/1044294297.db2.gz DCUWHOOPTZRJLG-UHFFFAOYSA-N -2 3 385.722 3.884 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2ccccc2)c(F)cc1Cl ZINC001259225887 1045019488 /nfs/dbraw/zinc/01/94/88/1045019488.db2.gz MJXHLZPLWQHZMW-BLLLJJGKSA-N -2 3 397.855 3.792 20 0 GHADHL O=S(=O)([N-]c1ccc2c(c1)OCCCO2)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260866731 1045723895 /nfs/dbraw/zinc/72/38/95/1045723895.db2.gz FXAPOJVOLMYOSI-UHFFFAOYSA-N -2 3 390.244 3.661 20 0 GHADHL O=S(=O)([N-]c1cnnc(Cl)c1Cl)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869431 1045726921 /nfs/dbraw/zinc/72/69/21/1045726921.db2.gz RBIJCKCAFSNOSF-UHFFFAOYSA-N -2 3 389.047 3.597 20 0 GHADHL CN1CCCc2ccc([N-]S(=O)(=O)c3cc(Cl)c([O-])c(Cl)c3)cc21 ZINC001260875526 1045731157 /nfs/dbraw/zinc/73/11/57/1045731157.db2.gz UTPDOUNUGRXQAF-UHFFFAOYSA-N -2 3 387.288 3.882 20 0 GHADHL O=S(=O)([N-]c1ccc(Br)c([O-])c1)c1cc(F)cc(Cl)c1 ZINC001339904276 1059547073 /nfs/dbraw/zinc/54/70/73/1059547073.db2.gz YQGNDJBBTSZNGI-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000738584325 600237389 /nfs/dbraw/zinc/23/73/89/600237389.db2.gz XGLASKHRTWFMFS-CMDGGOBGSA-N -2 3 383.372 3.707 20 0 GHADHL O=C([O-])COc1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cc1 ZINC000739824680 600464929 /nfs/dbraw/zinc/46/49/29/600464929.db2.gz VZYFWXJGSPAOPA-UHFFFAOYSA-N -2 3 393.395 3.687 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)ccc1Cl ZINC000833302687 601836615 /nfs/dbraw/zinc/83/66/15/601836615.db2.gz XZJZEHDOTQFFCO-ZDUSSCGKSA-N -2 3 393.770 3.620 20 0 GHADHL Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCCCC[C@@H]3C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000832990875 601883571 /nfs/dbraw/zinc/88/35/71/601883571.db2.gz GEJKWQCPFDMZEU-DLBZAZTESA-N -2 3 398.463 3.703 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832855863 602148762 /nfs/dbraw/zinc/14/87/62/602148762.db2.gz GIRMOJWIVRAFDM-HNNXBMFYSA-N -2 3 395.383 3.514 20 0 GHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000826939257 603400308 /nfs/dbraw/zinc/40/03/08/603400308.db2.gz FEQXRTHURMFKSU-CYBMUJFWSA-N -2 3 378.450 3.605 20 0 GHADHL O=C([O-])c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1Cl ZINC000833145430 604338799 /nfs/dbraw/zinc/33/87/99/604338799.db2.gz MUBWPPADRNPNBI-UHFFFAOYSA-N -2 3 399.628 3.828 20 0 GHADHL O=C([O-])Nc1cccc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000834269820 605639058 /nfs/dbraw/zinc/63/90/58/605639058.db2.gz SNFGUDUELWCMCA-UHFFFAOYSA-N -2 3 393.428 3.903 20 0 GHADHL CCOc1cc(C(=O)Nc2nc(Br)ccc2[O-])cc(Cl)c1[O-] ZINC000194571659 840315785 /nfs/dbraw/zinc/31/57/85/840315785.db2.gz FFTZXKQRMQAKDR-UHFFFAOYSA-N -2 3 387.617 3.560 20 0 GHADHL O=C([O-])c1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc(C(F)(F)F)c1 ZINC000548527344 845356201 /nfs/dbraw/zinc/35/62/01/845356201.db2.gz ZNBJWFCJCOJKGN-UHFFFAOYSA-N -2 3 395.305 3.624 20 0 GHADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000583128295 849132961 /nfs/dbraw/zinc/13/29/61/849132961.db2.gz XXUJTMHTSLGWNH-MFKMUULPSA-N -2 3 380.293 3.695 20 0 GHADHL Cc1nc(COc2ccc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)cc2)cs1 ZINC000504712645 850253150 /nfs/dbraw/zinc/25/31/50/850253150.db2.gz RGHBFMVIILPDGS-YVMONPNESA-N -2 3 397.456 3.632 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)ccc1C(=O)[O-] ZINC000506690479 850448198 /nfs/dbraw/zinc/44/81/98/850448198.db2.gz RVHQYHPCZUUDLO-UHFFFAOYSA-N -2 3 375.446 3.815 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(SCC)c2)cc1C(=O)[O-] ZINC000505316156 850827522 /nfs/dbraw/zinc/82/75/22/850827522.db2.gz HIRPDYJDGSIENG-UHFFFAOYSA-N -2 3 381.475 3.696 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2c(C)cc(Br)cc2C)cc1C(=O)[O-] ZINC000438719333 852775286 /nfs/dbraw/zinc/77/52/86/852775286.db2.gz SUONGTHAJHPULD-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1C(=O)[O-] ZINC000055574133 854012042 /nfs/dbraw/zinc/01/20/42/854012042.db2.gz WEYGUKVNTQIXOP-UHFFFAOYSA-N -2 3 389.260 3.691 20 0 GHADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1OC1CCCC1 ZINC000045713347 855695986 /nfs/dbraw/zinc/69/59/86/855695986.db2.gz UWPYTDQLCDREEM-UHFFFAOYSA-N -2 3 391.445 3.516 20 0 GHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000058488456 856899070 /nfs/dbraw/zinc/89/90/70/856899070.db2.gz RZLYRCAEPKITNF-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000508239130 857108739 /nfs/dbraw/zinc/10/87/39/857108739.db2.gz CPOUEEJANJDSIZ-UHFFFAOYSA-N -2 3 392.452 3.634 20 0 GHADHL Cc1ccc(-c2cc(=NC(=O)c3ccc(Br)c([O-])c3)[nH][n-]2)s1 ZINC000442650922 858026675 /nfs/dbraw/zinc/02/66/75/858026675.db2.gz MCSSEGZBBZHXAW-UHFFFAOYSA-N -2 3 378.251 3.589 20 0 GHADHL CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000522397871 859327840 /nfs/dbraw/zinc/32/78/40/859327840.db2.gz XBSXQMFFDCCPQA-UHFFFAOYSA-N -2 3 391.489 3.992 20 0 GHADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000325295069 864668639 /nfs/dbraw/zinc/66/86/39/864668639.db2.gz YENOCCSLNSKENV-LLVKDONJSA-N -2 3 387.807 3.527 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c(F)c1 ZINC000479194769 867308460 /nfs/dbraw/zinc/30/84/60/867308460.db2.gz VOSQJQMLNHQHKB-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3C)cc2O1 ZINC000793429321 882181760 /nfs/dbraw/zinc/18/17/60/882181760.db2.gz PRIKIRIAEXUIIG-SFHVURJKSA-N -2 3 395.408 3.531 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C2CC2)cc1C(=O)[O-] ZINC001192648593 870554770 /nfs/dbraw/zinc/55/47/70/870554770.db2.gz FHGTUVDEFIGYLP-UHFFFAOYSA-N -2 3 375.446 3.770 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(Cl)cc1F ZINC001195234049 872241190 /nfs/dbraw/zinc/24/11/90/872241190.db2.gz DLGGNICKZWEQSE-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC001195401191 872362956 /nfs/dbraw/zinc/36/29/56/872362956.db2.gz QGQOIVSUEFSGMN-UHFFFAOYSA-N -2 3 392.175 3.941 20 0 GHADHL CCCc1ccc(-c2ccc(C(=O)NCCCCP(=O)([O-])[O-])cc2)cc1 ZINC001195375392 872375655 /nfs/dbraw/zinc/37/56/55/872375655.db2.gz MSDXPRQDQPOSJO-UHFFFAOYSA-N -2 3 375.405 3.994 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](CC)C(=O)[O-])cc2)cc1 ZINC000463779236 872584616 /nfs/dbraw/zinc/58/46/16/872584616.db2.gz RBXKOHMMVUOXSE-HNNXBMFYSA-N -2 3 377.462 3.539 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196436465 873085940 /nfs/dbraw/zinc/08/59/40/873085940.db2.gz LQWQURPFWWQJEI-UHFFFAOYSA-N -2 3 391.832 3.786 20 0 GHADHL O=S(=O)([O-])c1cc([O-])c(NC(=S)Nc2cccc(F)c2)c2ccccc21 ZINC001197640575 873940948 /nfs/dbraw/zinc/94/09/48/873940948.db2.gz BBKRBRFNUNXCOA-UHFFFAOYSA-N -2 3 392.433 3.740 20 0 GHADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776443790 876532579 /nfs/dbraw/zinc/53/25/79/876532579.db2.gz VNRUQQWUOAETIT-UHFFFAOYSA-N -2 3 381.624 3.541 20 0 GHADHL CC1C[C@H](C(=O)Nc2cccc(F)c2[O-])[C@@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530005494 876981887 /nfs/dbraw/zinc/98/18/87/876981887.db2.gz LLKHVFOYKALFOD-RYUDHWBXSA-N -2 3 390.386 3.616 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1Cl ZINC000530420765 877755972 /nfs/dbraw/zinc/75/59/72/877755972.db2.gz DJCGQVKUTRCZFM-OAHLLOKOSA-N -2 3 397.811 3.638 20 0 GHADHL O=C(Nc1ccc(F)cc1[O-])c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000532622285 886530220 /nfs/dbraw/zinc/53/02/20/886530220.db2.gz WPPNKRGGBJHOQS-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1 ZINC000763281903 888443067 /nfs/dbraw/zinc/44/30/67/888443067.db2.gz BXFCAKVTLWFWCN-GFCCVEGCSA-N -2 3 381.425 3.810 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc(C(=O)[O-])c1F ZINC000763287089 888445878 /nfs/dbraw/zinc/44/58/78/888445878.db2.gz MLBNHCCTQMVOIO-UHFFFAOYSA-N -2 3 381.425 3.729 20 0 GHADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](CCC(=O)[O-])Cc3ccccc3)nc2)n1 ZINC000263560549 892595127 /nfs/dbraw/zinc/59/51/27/892595127.db2.gz REJKATXCTSBKHX-SFHVURJKSA-N -2 3 392.459 3.695 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1C(=O)[O-] ZINC000497956717 892846313 /nfs/dbraw/zinc/84/63/13/892846313.db2.gz AYRXBGBUAXQCSJ-UHFFFAOYSA-N -2 3 375.446 3.591 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Br)c1cc2ccccc2s1 ZINC001185429511 913858075 /nfs/dbraw/zinc/85/80/75/913858075.db2.gz PIXWASRNTYCPJD-UHFFFAOYSA-N -2 3 385.264 3.565 20 0 GHADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc2)ccn1 ZINC001185914588 914197401 /nfs/dbraw/zinc/19/74/01/914197401.db2.gz SVTISORSJUAQSS-UHFFFAOYSA-N -2 3 398.440 3.990 20 0 GHADHL O=C([O-])CCCc1nnc([N-]C(=O)c2ccc(-c3ccc(F)cc3)o2)s1 ZINC000739713013 909622454 /nfs/dbraw/zinc/62/24/54/909622454.db2.gz WLKZNHSHBCNPDD-UHFFFAOYSA-N -2 3 375.381 3.597 20 0 GHADHL O=S(=O)([N-]c1ccccc1[S-])c1cc(F)c(Br)c(F)c1 ZINC001189035341 916354897 /nfs/dbraw/zinc/35/48/97/916354897.db2.gz HNKJBIJLOWNDIO-UHFFFAOYSA-N -2 3 380.235 3.817 20 0 GHADHL O=C(NCCCCP(=O)([O-])[O-])Nc1c(Cl)cc(Cl)cc1Cl ZINC001192052473 918389788 /nfs/dbraw/zinc/38/97/88/918389788.db2.gz QNBPTHLUVJNNEU-UHFFFAOYSA-N -2 3 375.576 3.726 20 0 GHADHL CC1C[C@H](C(=O)Nc2c([O-])cccc2F)[C@@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000681480810 925829785 /nfs/dbraw/zinc/82/97/85/925829785.db2.gz GQWXDXKLTNTGKX-RYUDHWBXSA-N -2 3 390.386 3.616 20 0 GHADHL [O-]c1ccccc1-c1nc(CSc2n[n-]c(=NCc3ccccc3)s2)no1 ZINC000373088834 925853047 /nfs/dbraw/zinc/85/30/47/925853047.db2.gz RYHKMBHBUOYPBW-UHFFFAOYSA-N -2 3 397.485 3.620 20 0 GHADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000547599753 931140636 /nfs/dbraw/zinc/14/06/36/931140636.db2.gz ISGWYZBOWIFMFA-CYBMUJFWSA-N -2 3 392.235 3.627 20 0 GHADHL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC=C([O-])c1cccs1 ZINC001115823337 933212613 /nfs/dbraw/zinc/21/26/13/933212613.db2.gz WYFUBGWOEZPCIS-UHFFFAOYSA-N -2 3 389.502 3.860 20 0 GHADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c1F ZINC000326672665 971314897 /nfs/dbraw/zinc/31/48/97/971314897.db2.gz JYYYALKYCXTTEW-CQSZACIVSA-N -2 3 383.828 3.533 20 0 GHADHL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1 ZINC000013345727 957033466 /nfs/dbraw/zinc/03/34/66/957033466.db2.gz BNIZDCXWEVPFCR-AWNIVKPZSA-N -2 3 386.473 3.576 20 0 GHADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)[C@@H]1CC2CCC1CC2 ZINC000394430615 972713197 /nfs/dbraw/zinc/71/31/97/972713197.db2.gz DXGSDDSEKPQSSI-YUVKLTJASA-N -2 3 389.876 3.670 20 0 GHADHL O=C([O-])CC[C@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC001606125957 973367865 /nfs/dbraw/zinc/36/78/65/973367865.db2.gz IKQRMXGRTGAAOD-GFCCVEGCSA-N -2 3 387.461 3.734 20 0 GHADHL CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001595129172 979532246 /nfs/dbraw/zinc/53/22/46/979532246.db2.gz DWFZWDBNTGBJMN-CQSZACIVSA-N -2 3 399.871 3.867 20 0 GHADHL CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001597256677 987258576 /nfs/dbraw/zinc/25/85/76/987258576.db2.gz MQHPGCVCSJMNTE-VHSXEESVSA-N -2 3 395.905 3.520 20 0 GHADHL CC(C)(C(=O)[O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC001589601405 987427572 /nfs/dbraw/zinc/42/75/72/987427572.db2.gz LRLFXUPGEAMMHS-OAHLLOKOSA-N -2 3 385.844 3.610 20 0 GHADHL CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001597471528 987935781 /nfs/dbraw/zinc/93/57/81/987935781.db2.gz QVIQLSRKVVMNIA-UHFFFAOYSA-N -2 3 391.489 3.774 20 0 GHADHL CC(C)(C)c1nc([N-]C(=O)c2noc(-c3ccc(F)cc3)n2)sc1C(=O)[O-] ZINC001590545947 990186413 /nfs/dbraw/zinc/18/64/13/990186413.db2.gz XEWMTHPQZRKFIE-UHFFFAOYSA-N -2 3 390.396 3.580 20 0 GHADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)ccc2O1 ZINC000468846968 1016103722 /nfs/dbraw/zinc/10/37/22/1016103722.db2.gz GJSBBEDACNGJBC-UHFFFAOYSA-N -2 3 381.837 3.553 20 0 GHADHL O=c1nc2nc(Br)[n-]c2c(O[C@H]2CCc3cc(Cl)ccc32)[n-]1 ZINC001227598137 1032478843 /nfs/dbraw/zinc/47/88/43/1032478843.db2.gz VKIXVUNKMLKKJX-VIFPVBQESA-N -2 3 381.617 3.541 20 0 GHADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000562465307 1018181555 /nfs/dbraw/zinc/18/15/55/1018181555.db2.gz AUFDYSRJALKKDB-LLVKDONJSA-N -2 3 382.309 3.943 20 0 GHADHL O=C1CCc2c1cccc2-c1noc(-c2cc(Br)c([O-])cc2[O-])n1 ZINC001215471295 1029226207 /nfs/dbraw/zinc/22/62/07/1029226207.db2.gz VNNHQZXRDBMHTP-UHFFFAOYSA-N -2 3 387.189 3.706 20 0 GHADHL O=C1CCc2cc(-c3noc(-c4cc([O-])c(Br)c([O-])c4)n3)ccc21 ZINC001215473303 1029229322 /nfs/dbraw/zinc/22/93/22/1029229322.db2.gz HOXHYWKYSKWJOB-UHFFFAOYSA-N -2 3 387.189 3.706 20 0 GHADHL O=P([O-])([O-])C1(Nc2ncnc3c2ccn3C2CCCC2)Cc2ccccc2C1 ZINC001157157313 1033437640 /nfs/dbraw/zinc/43/76/40/1033437640.db2.gz MHZHEJAWWDVGSL-UHFFFAOYSA-N -2 3 398.403 3.631 20 0 GHADHL CC[C@@H](COC)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(OC)cc1 ZINC001229672108 1033631783 /nfs/dbraw/zinc/63/17/83/1033631783.db2.gz OILCTLBIOSLBDP-AWEZNQCLSA-N -2 3 386.400 3.684 20 0 GHADHL CC1(C)OC[C@H](CCOc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)O1 ZINC001229772265 1033702760 /nfs/dbraw/zinc/70/27/60/1033702760.db2.gz ZNRGYSYKNFJUDD-HNNXBMFYSA-N -2 3 398.411 3.792 20 0 GHADHL O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(-c2c([O-])cccc2F)nc1 ZINC001245652904 1036965834 /nfs/dbraw/zinc/96/58/34/1036965834.db2.gz DFCNSNFLPOXSMI-UHFFFAOYSA-N -2 3 380.347 3.672 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1cc(C(F)(F)F)ccc1Cl ZINC001260266561 1045433001 /nfs/dbraw/zinc/43/30/01/1045433001.db2.gz AWFRSRTXIZGTHO-UHFFFAOYSA-N -2 3 387.166 3.914 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1[S-] ZINC001260501216 1045520940 /nfs/dbraw/zinc/52/09/40/1045520940.db2.gz QAPDKNKEMXFIBZ-UHFFFAOYSA-N -2 3 379.381 3.683 20 0 GHADHL Cc1ccc(CCCO)c([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001260876432 1045732372 /nfs/dbraw/zinc/73/23/72/1045732372.db2.gz AVAFMYRBILCDJN-UHFFFAOYSA-N -2 3 390.288 3.733 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(Cl)cc2)o1 ZINC000740172753 599766880 /nfs/dbraw/zinc/76/68/80/599766880.db2.gz GMIRRSGGJFLOML-QGZVFWFLSA-N -2 3 391.832 3.699 20 0 GHADHL Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466293584 599768248 /nfs/dbraw/zinc/76/82/48/599768248.db2.gz ORIQYFZCBJPNFX-UHFFFAOYSA-N -2 3 382.441 3.864 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccsc2)c2ccc(Cl)cc2)o1 ZINC000740174052 599774854 /nfs/dbraw/zinc/77/48/54/599774854.db2.gz QNOURSGPPRQMIH-HNNXBMFYSA-N -2 3 397.861 3.761 20 0 GHADHL CC1(C)Cc2ccc(C(=O)Nc3nc(-c4c[nH]c(C(=O)[O-])c4)cs3)c([O-])c2O1 ZINC000736736868 600109131 /nfs/dbraw/zinc/10/91/31/600109131.db2.gz GQXZCVGHRINEKZ-UHFFFAOYSA-N -2 3 399.428 3.508 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1C(=O)[O-] ZINC000042795263 600542375 /nfs/dbraw/zinc/54/23/75/600542375.db2.gz MJBVGMASOKZMSW-UHFFFAOYSA-N -2 3 399.852 3.635 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(C)c1 ZINC000829422529 601837843 /nfs/dbraw/zinc/83/78/43/601837843.db2.gz ZMBIFQHZHMWIGK-UHFFFAOYSA-N -2 3 399.415 3.951 20 0 GHADHL O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000740520858 601930305 /nfs/dbraw/zinc/93/03/05/601930305.db2.gz XLSVEXIVOHYOIY-GJZGRUSLSA-N -2 3 396.447 3.579 20 0 GHADHL CCOc1cc(-c2nc3cc(C(=O)[O-])ccc3n2C)cc(Br)c1[O-] ZINC000833661138 604712952 /nfs/dbraw/zinc/71/29/52/604712952.db2.gz KNLBGJGUCAQXPW-UHFFFAOYSA-N -2 3 391.221 3.805 20 0 GHADHL Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc(NC(=O)[O-])cc3[O-])nc2c1 ZINC000833907501 605644467 /nfs/dbraw/zinc/64/44/67/605644467.db2.gz KOHCBIZRWOHTHA-INIZCTEOSA-N -2 3 380.404 3.644 20 0 GHADHL Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(NC(=O)[O-])cc3[O-])[nH]c2c1 ZINC000833907501 605644473 /nfs/dbraw/zinc/64/44/73/605644473.db2.gz KOHCBIZRWOHTHA-INIZCTEOSA-N -2 3 380.404 3.644 20 0 GHADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000326684024 836875259 /nfs/dbraw/zinc/87/52/59/836875259.db2.gz OJAKQAIIKXXPCE-UHFFFAOYSA-N -2 3 383.853 3.874 20 0 GHADHL Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000323444778 841863797 /nfs/dbraw/zinc/86/37/97/841863797.db2.gz DHRZRYUPRCVBHM-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000548267888 842342981 /nfs/dbraw/zinc/34/29/81/842342981.db2.gz CUSBGHYPWOTAOQ-OAHLLOKOSA-N -2 3 397.811 3.638 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)ccc1Cl ZINC000432654676 843366623 /nfs/dbraw/zinc/36/66/23/843366623.db2.gz QHZVAFPADJLINV-UHFFFAOYSA-N -2 3 397.880 3.702 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)c(C)c1C(=O)[O-] ZINC000512724938 845216534 /nfs/dbraw/zinc/21/65/34/845216534.db2.gz IDTIQWPVBBQZHP-UHFFFAOYSA-N -2 3 397.456 3.568 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c(C)c1C(=O)[O-] ZINC000512785142 845528505 /nfs/dbraw/zinc/52/85/05/845528505.db2.gz CXPRZJVKQMGWSC-UHFFFAOYSA-N -2 3 375.446 3.591 20 0 GHADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1 ZINC000563269949 846508485 /nfs/dbraw/zinc/50/84/85/846508485.db2.gz RZERFLODTRANDY-UHFFFAOYSA-N -2 3 397.452 3.694 20 0 GHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])cc1 ZINC000536294011 854585609 /nfs/dbraw/zinc/58/56/09/854585609.db2.gz CCQCTTWLKCYHHJ-UHFFFAOYSA-N -2 3 379.821 3.571 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000589938387 855193881 /nfs/dbraw/zinc/19/38/81/855193881.db2.gz VEQNHHSDKTVLEZ-UHFFFAOYSA-N -2 3 389.351 3.603 20 0 GHADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccc1[O-])C1=Cc2ccccc2OCC1 ZINC000186997784 862836556 /nfs/dbraw/zinc/83/65/56/862836556.db2.gz YBUAMLILBRZBJL-UHFFFAOYSA-N -2 3 385.363 3.976 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(C)C)cc2)cc1C(=O)[O-] ZINC000521111372 857631092 /nfs/dbraw/zinc/63/10/92/857631092.db2.gz GJEQAUGLJKCFNX-UHFFFAOYSA-N -2 3 377.462 3.783 20 0 GHADHL Cc1nc(C=Cc2c(F)ccc(Br)c2F)[n-]c(=O)c1CCC(=O)[O-] ZINC000443449205 858685429 /nfs/dbraw/zinc/68/54/29/858685429.db2.gz ZHFSTSXHPXRXKV-QHHAFSJGSA-N -2 3 399.191 3.719 20 0 GHADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(=O)[O-])c3)ccc2O1 ZINC000484554866 860113678 /nfs/dbraw/zinc/11/36/78/860113678.db2.gz CUIIMYSESNYOBN-UHFFFAOYSA-N -2 3 381.837 3.553 20 0 GHADHL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000607030892 864027896 /nfs/dbraw/zinc/02/78/96/864027896.db2.gz QXDQMSONNOFYLV-UHFFFAOYSA-N -2 3 376.821 3.696 20 0 GHADHL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(CCCCl)cc2)cc1)C(=O)[O-] ZINC000184657255 864811425 /nfs/dbraw/zinc/81/14/25/864811425.db2.gz BEKSEDKZVVXLCQ-CQSZACIVSA-N -2 3 395.908 3.922 20 0 GHADHL Cc1ccc(-c2cc(C(=O)N=c3[n-]nc(-c4cccc(Cl)c4)s3)n[n-]2)o1 ZINC000524311871 868890928 /nfs/dbraw/zinc/89/09/28/868890928.db2.gz MSCBMWZKALAYRW-UHFFFAOYSA-N -2 3 385.836 3.824 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc3cc(F)ccc3c2)cc1C(=O)[O-] ZINC001192647893 870554729 /nfs/dbraw/zinc/55/47/29/870554729.db2.gz CJPLNMZPUHXTDM-UHFFFAOYSA-N -2 3 389.404 3.877 20 0 GHADHL CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193284251 871004008 /nfs/dbraw/zinc/00/40/08/871004008.db2.gz QLGKYQDTGQPGSN-CABCVRRESA-N -2 3 390.505 3.748 20 0 GHADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000447275575 871343329 /nfs/dbraw/zinc/34/33/29/871343329.db2.gz VQMKBRAPXYNCRJ-UHFFFAOYSA-N -2 3 375.377 3.893 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC000775671603 872677276 /nfs/dbraw/zinc/67/72/76/872677276.db2.gz JLIZMRGCKFSVHZ-UHFFFAOYSA-N -2 3 394.449 3.549 20 0 GHADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])c1ccccc1 ZINC000451015036 877235126 /nfs/dbraw/zinc/23/51/26/877235126.db2.gz KBXJEECKNLCINR-HNNXBMFYSA-N -2 3 375.368 3.540 20 0 GHADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000551998030 878132814 /nfs/dbraw/zinc/13/28/14/878132814.db2.gz LRZOWEUULVUYGG-TZMCWYRMSA-N -2 3 399.818 3.671 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000538296242 879198206 /nfs/dbraw/zinc/19/82/06/879198206.db2.gz JGYJCWROBMQPSX-UHFFFAOYSA-N -2 3 391.445 3.633 20 0 GHADHL CC(=O)c1cccc(NC(=O)c2cc(Br)cc(Cl)c2[O-])c1[O-] ZINC001183636548 912684222 /nfs/dbraw/zinc/68/42/22/912684222.db2.gz OVUKYCYNNDYIJM-UHFFFAOYSA-N -2 3 384.613 3.969 20 0 GHADHL Nc1c(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cc1Cl ZINC001211966654 888349250 /nfs/dbraw/zinc/34/92/50/888349250.db2.gz JPEDPYIFIOCEDP-UHFFFAOYSA-N -2 3 395.651 3.728 20 0 GHADHL CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185310511 913798518 /nfs/dbraw/zinc/79/85/18/913798518.db2.gz KEAJPQVATMMJLQ-UHFFFAOYSA-N -2 3 377.462 3.627 20 0 GHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(C)c1C ZINC000574599669 900940235 /nfs/dbraw/zinc/94/02/35/900940235.db2.gz NOYDFSYLSXPFIC-UHFFFAOYSA-N -2 3 377.462 3.736 20 0 GHADHL O=c1nc(CSc2cccc(Cl)c2-c2nnn[n-]2)[n-]c2ccsc21 ZINC000826500564 901382324 /nfs/dbraw/zinc/38/23/24/901382324.db2.gz CAWDCQOIZHABQE-UHFFFAOYSA-N -2 3 376.854 3.523 20 0 GHADHL O=c1nc(CSc2cccc(Cl)c2-c2nn[n-]n2)[n-]c2ccsc21 ZINC000826500564 901382377 /nfs/dbraw/zinc/38/23/77/901382377.db2.gz CAWDCQOIZHABQE-UHFFFAOYSA-N -2 3 376.854 3.523 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1OC ZINC000629331351 906713901 /nfs/dbraw/zinc/71/39/01/906713901.db2.gz OBVZTYZHPPWNFQ-UHFFFAOYSA-N -2 3 393.461 3.600 20 0 GHADHL Cc1cc(OC(F)F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188308604 915906652 /nfs/dbraw/zinc/90/66/52/915906652.db2.gz LJZPFFWPALWMAF-UHFFFAOYSA-N -2 3 391.779 3.749 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cc1C ZINC000543785171 917021617 /nfs/dbraw/zinc/02/16/17/917021617.db2.gz UXJKZNAWFDSOSU-UHFFFAOYSA-N -2 3 377.462 3.520 20 0 GHADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](C(=O)[O-])C3CCCCCC3)cc2)cc(=O)[n-]1 ZINC000653472437 918253506 /nfs/dbraw/zinc/25/35/06/918253506.db2.gz PYIOCIWUOGBAIF-LJQANCHMSA-N -2 3 398.463 3.703 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc(C(=O)[O-])c1Cl ZINC000759096779 930271847 /nfs/dbraw/zinc/27/18/47/930271847.db2.gz KFVFTQIPLXQVRA-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)ccc1Br ZINC000547558688 931114880 /nfs/dbraw/zinc/11/48/80/931114880.db2.gz YKYNMLNVSOQBFS-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(F)cc2)c1Cl ZINC000547574903 931125781 /nfs/dbraw/zinc/12/57/81/931125781.db2.gz DVIPNBARTIZEAK-ZDUSSCGKSA-N -2 3 392.235 3.545 20 0 GHADHL O=C(Nc1ccc(Cl)cc1[O-])c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000782754649 931325072 /nfs/dbraw/zinc/32/50/72/931325072.db2.gz GFQHIIQSQUBOQY-UHFFFAOYSA-N -2 3 394.758 3.559 20 0 GHADHL CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC001116486388 933586276 /nfs/dbraw/zinc/58/62/76/933586276.db2.gz GYFMUUVFUWOEFG-UHFFFAOYSA-N -2 3 397.456 3.621 20 0 GHADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000013358833 957038041 /nfs/dbraw/zinc/03/80/41/957038041.db2.gz GNYCJSGOSLUIAW-UHFFFAOYSA-N -2 3 376.217 3.501 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2Cl)cs1 ZINC000390214971 972270467 /nfs/dbraw/zinc/27/04/67/972270467.db2.gz ORDQJHJKFNUABF-UHFFFAOYSA-N -2 3 385.772 3.919 20 0 GHADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(F)cc1F ZINC000060831595 957571417 /nfs/dbraw/zinc/57/14/17/957571417.db2.gz JQNCBZWYYLQXIK-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL CCCCOc1ccc(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)c([O-])c1 ZINC001595774421 982531062 /nfs/dbraw/zinc/53/10/62/982531062.db2.gz RKFDQBKRIAAITM-UHFFFAOYSA-N -2 3 387.407 3.607 20 0 GHADHL CCOc1cc(CN2CCOc3c(cccc3C(=O)[O-])C2)cc(Cl)c1[O-] ZINC001597031789 986451102 /nfs/dbraw/zinc/45/11/02/986451102.db2.gz OBSBUQOIYGIPCT-UHFFFAOYSA-N -2 3 377.824 3.537 20 0 GHADHL COc1ccc2cc([O-])c(C(=O)Nc3ncc([O-])cc3Br)cc2c1 ZINC001154749635 1032269983 /nfs/dbraw/zinc/26/99/83/1032269983.db2.gz QKFNOASFJBANSC-UHFFFAOYSA-N -2 3 389.205 3.669 20 0 GHADHL CCC[C@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1ccc(OC)cc1 ZINC001227598719 1032478957 /nfs/dbraw/zinc/47/89/57/1032478957.db2.gz ZZDDMVSTEXCFPE-NSHDSACASA-N -2 3 393.241 3.750 20 0 GHADHL CN(C)c1ccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)cc1 ZINC001215470952 1029224440 /nfs/dbraw/zinc/22/44/40/1029224440.db2.gz JDUCTKCYDHSVEJ-UHFFFAOYSA-N -2 3 376.210 3.643 20 0 GHADHL COc1cc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)ccc1F ZINC001215470724 1029224712 /nfs/dbraw/zinc/22/47/12/1029224712.db2.gz AKLGRBKKXLMTBG-UHFFFAOYSA-N -2 3 381.157 3.725 20 0 GHADHL COc1ccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)c(OC)c1 ZINC001215471256 1029227057 /nfs/dbraw/zinc/22/70/57/1029227057.db2.gz TVDVOSOTRKSBIF-UHFFFAOYSA-N -2 3 393.193 3.595 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3c(F)ccc([O-])c3F)cn2)cc1 ZINC001241291587 1035550242 /nfs/dbraw/zinc/55/02/42/1035550242.db2.gz RKBCUAWXZXUIPP-UHFFFAOYSA-N -2 3 376.384 3.842 20 0 GHADHL O=C([O-])c1cc(-c2ccc(-c3cncc(-c4nnn[n-]4)c3)cc2)nc2ccccc21 ZINC001240889482 1042963332 /nfs/dbraw/zinc/96/33/32/1042963332.db2.gz RDYABPWYQNRHGF-UHFFFAOYSA-N -2 3 394.394 3.842 20 0 GHADHL O=C([O-])c1cc(-c2ccc(-c3cncc(-c4nn[n-]n4)c3)cc2)nc2ccccc21 ZINC001240889482 1042963334 /nfs/dbraw/zinc/96/33/34/1042963334.db2.gz RDYABPWYQNRHGF-UHFFFAOYSA-N -2 3 394.394 3.842 20 0 GHADHL O=S(=O)([N-]c1ncc(Cl)nc1Cl)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260868668 1045725106 /nfs/dbraw/zinc/72/51/06/1045725106.db2.gz DQHKWZJYQJWLKI-UHFFFAOYSA-N -2 3 389.047 3.597 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)ccc1Br ZINC001261048088 1045868546 /nfs/dbraw/zinc/86/85/46/1045868546.db2.gz DPYAVKCPDYDURW-UHFFFAOYSA-N -2 3 378.194 3.542 20 0 GHADHL CCc1nc(CNCc2cc(Cl)cc(Br)c2[O-])ccc1C(=O)[O-] ZINC000903996529 1050460332 /nfs/dbraw/zinc/46/03/32/1050460332.db2.gz GOJDWFFYCTWQPN-UHFFFAOYSA-N -2 3 399.672 3.754 20 0 GHADHL O=C([O-])CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccccc1 ZINC000819513874 597138532 /nfs/dbraw/zinc/13/85/32/597138532.db2.gz UPQIFNDNQLCWJV-UHFFFAOYSA-N -2 3 381.413 3.748 20 0 GHADHL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000740120053 600057755 /nfs/dbraw/zinc/05/77/55/600057755.db2.gz CJIAUWJXAFCAPT-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c1C ZINC000738356022 600301195 /nfs/dbraw/zinc/30/11/95/600301195.db2.gz PTHWFHSRIFYWAT-UHFFFAOYSA-N -2 3 376.478 3.831 20 0 GHADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)c1F ZINC000833295551 601235687 /nfs/dbraw/zinc/23/56/87/601235687.db2.gz VJJYMELDTMLURG-QGZVFWFLSA-N -2 3 399.390 3.622 20 0 GHADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000740702801 602654682 /nfs/dbraw/zinc/65/46/82/602654682.db2.gz BKPYQHWHCYEFGS-UHFFFAOYSA-N -2 3 378.303 3.735 20 0 GHADHL CC[C@H](c1nnc([N-]C(=O)c2ccc(CNC(=O)[O-])o2)s1)c1ccccc1 ZINC000826638786 602879773 /nfs/dbraw/zinc/87/97/73/602879773.db2.gz HHIGAQHGDQOYHF-ZDUSSCGKSA-N -2 3 386.433 3.693 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000827445094 603402991 /nfs/dbraw/zinc/40/29/91/603402991.db2.gz VFDAXFVVHAPQRL-CYBMUJFWSA-N -2 3 378.450 3.523 20 0 GHADHL CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc([C@H](C)NC(=O)[O-])cc3)nc2)n1 ZINC000827557441 604348474 /nfs/dbraw/zinc/34/84/74/604348474.db2.gz TWSAXUQRTRRXGW-ZDUSSCGKSA-N -2 3 393.447 3.747 20 0 GHADHL Cc1sc2[n-]c([C@H](C)OC(=O)Cc3cccc(C(=O)[O-])c3)nc(=O)c2c1C ZINC000833758710 604729983 /nfs/dbraw/zinc/72/99/83/604729983.db2.gz NEICYJYYGWKPEN-JTQLQIEISA-N -2 3 386.429 3.559 20 0 GHADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832887024 604809141 /nfs/dbraw/zinc/80/91/41/604809141.db2.gz SEEYZIDABPUFHN-UHFFFAOYSA-N -2 3 390.244 3.566 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2C)ccc1OCCCC(=O)[O-] ZINC000414394281 837689653 /nfs/dbraw/zinc/68/96/53/837689653.db2.gz FRHQXPUZLJZCDN-UHFFFAOYSA-N -2 3 399.415 3.626 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1C(C)C ZINC000584150252 835707758 /nfs/dbraw/zinc/70/77/58/835707758.db2.gz BFULNHKJIWPWNF-UHFFFAOYSA-N -2 3 377.462 3.934 20 0 GHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(Br)c(Cl)c1 ZINC000504280072 838773884 /nfs/dbraw/zinc/77/38/84/838773884.db2.gz OHZVMANLQJXUOQ-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1C(C)C ZINC000432753765 843679139 /nfs/dbraw/zinc/67/91/39/843679139.db2.gz GFSKZPSPLUVUFD-UHFFFAOYSA-N -2 3 377.462 3.555 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c(C)c1 ZINC000391511383 843839022 /nfs/dbraw/zinc/83/90/22/843839022.db2.gz LWBZZHHMLQURFV-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1 ZINC000512725630 845195839 /nfs/dbraw/zinc/19/58/39/845195839.db2.gz OSLHYONZYLYNPN-UHFFFAOYSA-N -2 3 379.503 3.708 20 0 GHADHL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481617667 861866352 /nfs/dbraw/zinc/86/63/52/861866352.db2.gz WCRUZXWTDAITAM-UHFFFAOYSA-N -2 3 398.868 3.594 20 0 GHADHL Cc1nc(C=Cc2cc(Br)ccc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000504729083 850275946 /nfs/dbraw/zinc/27/59/46/850275946.db2.gz HSMPHCMVBBYOAJ-DJWKRKHSSA-N -2 3 383.629 3.704 20 0 GHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(Cl)c1 ZINC000436150923 851288292 /nfs/dbraw/zinc/28/82/92/851288292.db2.gz KTRBNAODJVYESA-UHFFFAOYSA-N -2 3 387.816 3.765 20 0 GHADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)c1 ZINC000437000603 852617520 /nfs/dbraw/zinc/61/75/20/852617520.db2.gz IVHRLNMEPZAQMB-UHFFFAOYSA-N -2 3 391.779 3.791 20 0 GHADHL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)ccc1F ZINC000507606411 853083367 /nfs/dbraw/zinc/08/33/67/853083367.db2.gz ZTUFRTCQQVJJAP-UHFFFAOYSA-N -2 3 391.342 3.906 20 0 GHADHL O=C(NCc1ccc([O-])c(Br)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000156528235 853841232 /nfs/dbraw/zinc/84/12/32/853841232.db2.gz AVEQWFWMRVIWLD-UHFFFAOYSA-N -2 3 379.235 3.515 20 0 GHADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000485393298 856454347 /nfs/dbraw/zinc/45/43/47/856454347.db2.gz LVWACUNLQJMNTG-UHFFFAOYSA-N -2 3 391.342 3.960 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c(C)c1CC(=O)[O-] ZINC000181248430 862811807 /nfs/dbraw/zinc/81/18/07/862811807.db2.gz XVSFXNCIMDFILM-UHFFFAOYSA-N -2 3 383.416 3.977 20 0 GHADHL COc1c(C)ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1C ZINC000542934658 856921896 /nfs/dbraw/zinc/92/18/96/856921896.db2.gz TXPNOXHWNWYQTH-UHFFFAOYSA-N -2 3 391.489 3.665 20 0 GHADHL COc1ccc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)c(Br)c1[O-] ZINC000761011148 857262175 /nfs/dbraw/zinc/26/21/75/857262175.db2.gz OCFXFMMKSPJPSP-JOVCIAKGSA-N -2 3 382.235 3.888 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)cc1C(=O)[O-] ZINC000676560249 857942474 /nfs/dbraw/zinc/94/24/74/857942474.db2.gz XEDPVJWQGGXKMA-UHFFFAOYSA-N -2 3 395.387 3.547 20 0 GHADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1cccs1 ZINC000682697334 858386609 /nfs/dbraw/zinc/38/66/09/858386609.db2.gz BTADRAHGHYQAES-QMMMGPOBSA-N -2 3 398.264 3.688 20 0 GHADHL Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)c2)n1 ZINC000466253704 858889118 /nfs/dbraw/zinc/88/91/18/858889118.db2.gz FDVAMHNUJLVYGG-UHFFFAOYSA-N -2 3 388.470 3.926 20 0 GHADHL O=C([O-])CCC(=O)Nc1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001213199242 859431752 /nfs/dbraw/zinc/43/17/52/859431752.db2.gz YRDFIFBIVWAQIH-UHFFFAOYSA-N -2 3 379.210 3.702 20 0 GHADHL CC(C)c1cc(C(=O)[N-]NC(=O)c2cc3ccccc3cc2[O-])nn1C(C)(C)C ZINC000060633403 859711978 /nfs/dbraw/zinc/71/19/78/859711978.db2.gz CKXUWULZSIULFW-UHFFFAOYSA-N -2 3 394.475 3.695 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1-c1ncco1 ZINC000164720404 864630558 /nfs/dbraw/zinc/63/05/58/864630558.db2.gz AHQQWJAOLNQJSQ-UHFFFAOYSA-N -2 3 386.429 3.766 20 0 GHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1C ZINC000523655963 867728025 /nfs/dbraw/zinc/72/80/25/867728025.db2.gz DLQQAJYMCDWOHO-UHFFFAOYSA-N -2 3 375.446 3.591 20 0 GHADHL Cc1oc2ccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])c(C)c3)cc2c1C ZINC000479536249 867966951 /nfs/dbraw/zinc/96/69/51/867966951.db2.gz KPWZWWKBIMCMDW-UHFFFAOYSA-N -2 3 389.429 3.622 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1-c1ncco1 ZINC000793410625 882152961 /nfs/dbraw/zinc/15/29/61/882152961.db2.gz FPLUEBJATGCGFK-UHFFFAOYSA-N -2 3 390.392 3.597 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC(C)C)cc1C(=O)[O-] ZINC001192647885 870553340 /nfs/dbraw/zinc/55/33/40/870553340.db2.gz CDVNMPTXDMJKPZ-UHFFFAOYSA-N -2 3 377.462 3.783 20 0 GHADHL CC[C@H](C)C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193284252 871003701 /nfs/dbraw/zinc/00/37/01/871003701.db2.gz QLGKYQDTGQPGSN-GJZGRUSLSA-N -2 3 390.505 3.748 20 0 GHADHL Cc1cc(F)cc(Cl)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195236512 872243951 /nfs/dbraw/zinc/24/39/51/872243951.db2.gz ZYLMDWSSVQTSLW-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL O=S(=O)([N-]c1cccc([O-])c1Cl)c1cc(Br)ccc1F ZINC001195491308 872443011 /nfs/dbraw/zinc/44/30/11/872443011.db2.gz SRNFQOCJQGZCRX-UHFFFAOYSA-N -2 3 380.622 3.748 20 0 GHADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1)C(=O)[O-] ZINC000463779710 872584742 /nfs/dbraw/zinc/58/47/42/872584742.db2.gz VFPUIZBKGUROSD-INIZCTEOSA-N -2 3 391.489 3.766 20 0 GHADHL O=S(=O)([O-])c1cc([O-])c(NC(=S)NC2CCCCCC2)c2ccccc21 ZINC001199969037 875259485 /nfs/dbraw/zinc/25/94/85/875259485.db2.gz HZRQMTFIGXPGCR-UHFFFAOYSA-N -2 3 394.518 3.801 20 0 GHADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)cc1C(=O)[O-] ZINC000530144104 877159705 /nfs/dbraw/zinc/15/97/05/877159705.db2.gz CIXSZSFBARHJMF-UHFFFAOYSA-N -2 3 389.473 3.642 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3ccccc3OC)c2)c1 ZINC000538298431 879207877 /nfs/dbraw/zinc/20/78/77/879207877.db2.gz KYHQMXYKTZIKOM-UHFFFAOYSA-N -2 3 385.441 3.877 20 0 GHADHL Cc1sc2[n-]c([C@H](C)OC(=O)c3c(F)cc([O-])cc3F)nc(=O)c2c1C ZINC000746984541 880259086 /nfs/dbraw/zinc/25/90/86/880259086.db2.gz FMZNYMSODBOTPQ-ZETCQYMHSA-N -2 3 380.372 3.916 20 0 GHADHL CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000794596014 887662948 /nfs/dbraw/zinc/66/29/48/887662948.db2.gz QKILWPCUCBPMJS-UHFFFAOYSA-N -2 3 399.827 3.879 20 0 GHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1C ZINC000614863627 888400633 /nfs/dbraw/zinc/40/06/33/888400633.db2.gz MBYBYRCJBDPFKE-UHFFFAOYSA-N -2 3 377.462 3.898 20 0 GHADHL COc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1OCc1ccccc1 ZINC000670370121 891804572 /nfs/dbraw/zinc/80/45/72/891804572.db2.gz AASGQMFVMXZIIE-CSKARUKUSA-N -2 3 378.384 3.638 20 0 GHADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)ccc1F ZINC000917735059 892480678 /nfs/dbraw/zinc/48/06/78/892480678.db2.gz QSXBUROWQFACMX-UHFFFAOYSA-N -2 3 379.409 3.646 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(O)cc3)cc2)cc1C(=O)[O-] ZINC001185307631 913796267 /nfs/dbraw/zinc/79/62/67/913796267.db2.gz VZEXXRZTRDZHRG-UHFFFAOYSA-N -2 3 399.424 3.567 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C)c1 ZINC001185914608 914197703 /nfs/dbraw/zinc/19/77/03/914197703.db2.gz UNSFKFOQJLKSRI-UHFFFAOYSA-N -2 3 389.351 3.701 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)c1Br ZINC001185917143 914199595 /nfs/dbraw/zinc/19/95/95/914199595.db2.gz CFPBAHZQAYJCBF-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1 ZINC000568614489 897983839 /nfs/dbraw/zinc/98/38/39/897983839.db2.gz JIKAEIKHXBXGFC-UHFFFAOYSA-N -2 3 398.440 3.692 20 0 GHADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000570141633 899152279 /nfs/dbraw/zinc/15/22/79/899152279.db2.gz GWLSCLSONTYFOF-UHFFFAOYSA-N -2 3 378.208 3.773 20 0 GHADHL Cc1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000642316034 911973331 /nfs/dbraw/zinc/97/33/31/911973331.db2.gz QMKFNRPPYWIUSR-UHFFFAOYSA-N -2 3 397.452 3.926 20 0 GHADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1ccc(Br)c(Cl)c1 ZINC001189149002 916433019 /nfs/dbraw/zinc/43/30/19/916433019.db2.gz JPSMZODKCOKHDT-UHFFFAOYSA-N -2 3 398.065 3.657 20 0 GHADHL Cc1cccc2cc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)sc21 ZINC000650419679 916972958 /nfs/dbraw/zinc/97/29/58/916972958.db2.gz GLTHBDPGHQIGEZ-LLVKDONJSA-N -2 3 395.424 3.531 20 0 GHADHL CC(C)(C)COc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC001192145667 918440477 /nfs/dbraw/zinc/44/04/77/918440477.db2.gz QBRNTMJOEWQMSQ-UHFFFAOYSA-N -2 3 391.489 3.930 20 0 GHADHL CCOc1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc(Cl)c1[O-] ZINC000013357816 919323358 /nfs/dbraw/zinc/32/33/58/919323358.db2.gz ZALSQSILXCDUPP-VOTSOKGWSA-N -2 3 376.792 3.804 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc(C(=O)[O-])c1Cl ZINC000759103070 930275051 /nfs/dbraw/zinc/27/50/51/930275051.db2.gz RNTTUPZSFXIWNG-UHFFFAOYSA-N -2 3 395.864 3.936 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])c1Cl ZINC000547577842 931127842 /nfs/dbraw/zinc/12/78/42/931127842.db2.gz QUKUDONGSJXXNZ-ABAIWWIYSA-N -2 3 380.293 3.614 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)ccc1F ZINC000782540863 931262106 /nfs/dbraw/zinc/26/21/06/931262106.db2.gz AIPHGDAYRDRCLL-UHFFFAOYSA-N -2 3 379.340 3.724 20 0 GHADHL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC000799922060 933169544 /nfs/dbraw/zinc/16/95/44/933169544.db2.gz CHDOUWZQKCGNDB-PKNBQFBNSA-N -2 3 379.409 3.725 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)c(F)cc1Cl ZINC001259222811 960687437 /nfs/dbraw/zinc/68/74/37/960687437.db2.gz FTXMJYGPRUSZHH-UHFFFAOYSA-N -2 3 399.852 3.871 20 0 GHADHL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC001589599363 987421916 /nfs/dbraw/zinc/42/19/16/987421916.db2.gz UZWCGRLSGSOUCJ-HNNXBMFYSA-N -2 3 392.249 3.737 20 0 GHADHL CC(C)(C(=O)[O-])c1csc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC001589656763 987622676 /nfs/dbraw/zinc/62/26/76/987622676.db2.gz XUDOZFRYSLSGKW-UHFFFAOYSA-N -2 3 375.381 3.552 20 0 GHADHL CCc1cccc(C(=O)Nc2cc(Br)c(F)c(C(=O)[O-])c2)c1[O-] ZINC001597575653 988362042 /nfs/dbraw/zinc/36/20/42/988362042.db2.gz CCCSJTXJSIOCKS-UHFFFAOYSA-N -2 3 382.185 3.807 20 0 GHADHL CC(C)(C)OC(=O)N=c1[n-]cc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)s1 ZINC001590319480 989756053 /nfs/dbraw/zinc/75/60/53/989756053.db2.gz GQSKBUZOIJDLSN-UHFFFAOYSA-N -2 3 388.405 3.905 20 0 GHADHL C[C@@](NCc1ccc([O-])c(F)c1F)(C(=O)[O-])c1cccc(Br)c1 ZINC001593299901 994727931 /nfs/dbraw/zinc/72/79/31/994727931.db2.gz XXFIUDAWVHIRRI-INIZCTEOSA-N -2 3 386.192 3.523 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1C(F)(F)F ZINC000677233372 1021804783 /nfs/dbraw/zinc/80/47/83/1021804783.db2.gz NRKAMLXWDPLJNG-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL COc1ccc(-c2noc(-c3cc(Br)c([O-])cc3[O-])n2)cc1OC ZINC001215471099 1029227394 /nfs/dbraw/zinc/22/73/94/1029227394.db2.gz QJFBKSFSACULGK-UHFFFAOYSA-N -2 3 393.193 3.595 20 0 GHADHL O=c1c(OC2CC(F)(F)C2)c(-c2ccc(O)cc2)oc2cc([O-])cc([O-])c12 ZINC001225625514 1031516274 /nfs/dbraw/zinc/51/62/74/1031516274.db2.gz KOSLZZWMAIDFLQ-UHFFFAOYSA-N -2 3 376.311 3.753 20 0 GHADHL CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1cc([O-])cc(C(F)(F)F)c1 ZINC001242782998 1035959628 /nfs/dbraw/zinc/95/96/28/1035959628.db2.gz FRQHUQZTFKCZJY-UHFFFAOYSA-N -2 3 385.367 3.916 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccccc1Br ZINC001257311161 1043962277 /nfs/dbraw/zinc/96/22/77/1043962277.db2.gz ITCZQTKKWXVVBH-UHFFFAOYSA-N -2 3 385.264 3.565 20 0 GHADHL Cc1c(=O)[n-]n(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258909285 1044860733 /nfs/dbraw/zinc/86/07/33/1044860733.db2.gz ZAKDPSKLCYQCEO-UHFFFAOYSA-N -2 3 398.271 3.994 20 0 GHADHL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1C ZINC001260875475 1045731544 /nfs/dbraw/zinc/73/15/44/1045731544.db2.gz SYYSBXSPSIUMNW-UHFFFAOYSA-N -2 3 390.244 3.595 20 0 GHADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)c1C(=O)[O-] ZINC000738746201 599740024 /nfs/dbraw/zinc/74/00/24/599740024.db2.gz VPZSPAAQULSGLS-UHFFFAOYSA-N -2 3 394.880 3.748 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)ccc1OC(C)C ZINC000738477106 600301275 /nfs/dbraw/zinc/30/12/75/600301275.db2.gz OMKKREJZNHYTKT-UHFFFAOYSA-N -2 3 392.477 3.693 20 0 GHADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000776440315 602306310 /nfs/dbraw/zinc/30/63/10/602306310.db2.gz NJDNHMXDGHFTAF-UHFFFAOYSA-N -2 3 388.228 3.695 20 0 GHADHL CN(C(=O)[O-])c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000830514111 604327777 /nfs/dbraw/zinc/32/77/77/604327777.db2.gz NACDCQVNPAXORW-UHFFFAOYSA-N -2 3 394.225 3.591 20 0 GHADHL Cc1c([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cccc1C(=O)[O-] ZINC000728266498 838311223 /nfs/dbraw/zinc/31/12/23/838311223.db2.gz WEQRCAUTHBGWIL-UHFFFAOYSA-N -2 3 375.446 3.815 20 0 GHADHL Nc1cc(S(=O)(=O)c2ccc([O-])c(Nc3cccc([S-])c3)c2)ccc1O ZINC001210947576 839331792 /nfs/dbraw/zinc/33/17/92/839331792.db2.gz TUPSEAQMTBRBSI-UHFFFAOYSA-N -2 3 388.470 3.545 20 0 GHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000548210527 842170567 /nfs/dbraw/zinc/17/05/67/842170567.db2.gz RCEOJPHEXNHSJC-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])c1Cl ZINC000548260343 842321660 /nfs/dbraw/zinc/32/16/60/842321660.db2.gz DGNDZRMLJWDUMP-WDEREUQCSA-N -2 3 382.309 3.860 20 0 GHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1C(C)C ZINC000432728243 843602259 /nfs/dbraw/zinc/60/22/59/843602259.db2.gz MJWRPCWRIAIOJY-UHFFFAOYSA-N -2 3 381.425 3.765 20 0 GHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccc1F ZINC000548574811 845615789 /nfs/dbraw/zinc/61/57/89/845615789.db2.gz CTNRPWSUERUWDG-HNNXBMFYSA-N -2 3 395.383 3.514 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)c(C)c1C(=O)[O-] ZINC000582234966 846674841 /nfs/dbraw/zinc/67/48/41/846674841.db2.gz ZMJXVCUGFPHXPC-UHFFFAOYSA-N -2 3 387.457 3.712 20 0 GHADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436782118 852318024 /nfs/dbraw/zinc/31/80/24/852318024.db2.gz HEUQSBBKSZFSEH-UHFFFAOYSA-N -2 3 389.351 3.527 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1C ZINC000485057727 856039259 /nfs/dbraw/zinc/03/92/59/856039259.db2.gz RIGKUDVICKCSJU-UHFFFAOYSA-N -2 3 390.244 3.809 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)ccc1C(=O)[O-] ZINC000507884841 856651593 /nfs/dbraw/zinc/65/15/93/856651593.db2.gz BBQSJXWEIKIWSK-UHFFFAOYSA-N -2 3 393.436 3.955 20 0 GHADHL C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761288986 860573642 /nfs/dbraw/zinc/57/36/42/860573642.db2.gz JERVGNUUPOGXFY-QMMMGPOBSA-N -2 3 394.301 3.663 20 0 GHADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC000479259372 867444353 /nfs/dbraw/zinc/44/43/53/867444353.db2.gz LCAKPRKOFKBYMZ-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c(C)c1C(=O)[O-] ZINC000156343596 868332702 /nfs/dbraw/zinc/33/27/02/868332702.db2.gz PPNXRTOFRKFWMK-UHFFFAOYSA-N -2 3 387.379 3.907 20 0 GHADHL COc1cc(-c2noc(-c3ccc([O-])cc3F)n2)cc(Br)c1[O-] ZINC000445398240 868379982 /nfs/dbraw/zinc/37/99/82/868379982.db2.gz RIRHBPUQQDHARM-UHFFFAOYSA-N -2 3 381.157 3.725 20 0 GHADHL CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(Cl)c(F)[n-]c(=O)c2Cl)c1 ZINC001192766235 870651468 /nfs/dbraw/zinc/65/14/68/870651468.db2.gz XGYHXPJYWWXMQO-UHFFFAOYSA-N -2 3 395.239 3.605 20 0 GHADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([O-])c(Cl)cc2F)c(Cl)c1 ZINC001193352893 871040317 /nfs/dbraw/zinc/04/03/17/871040317.db2.gz OUVFLZZSWGPXFA-UHFFFAOYSA-N -2 3 393.223 3.597 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194168903 871523183 /nfs/dbraw/zinc/52/31/83/871523183.db2.gz GADXVNXCBRYZTL-UHFFFAOYSA-N -2 3 389.454 3.708 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)ccc1[S-] ZINC001194379846 871691536 /nfs/dbraw/zinc/69/15/36/871691536.db2.gz BENASEYCGRKFMG-UHFFFAOYSA-N -2 3 396.877 3.692 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)c1 ZINC000539399863 871900592 /nfs/dbraw/zinc/90/05/92/871900592.db2.gz GTOGIHMXYYVORA-UHFFFAOYSA-N -2 3 391.474 3.710 20 0 GHADHL Cc1ccccc1CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195264038 872292088 /nfs/dbraw/zinc/29/20/88/872292088.db2.gz PHYFBBDVAQCCFE-UHFFFAOYSA-N -2 3 397.443 3.519 20 0 GHADHL Cc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1Br ZINC000182495976 872436741 /nfs/dbraw/zinc/43/67/41/872436741.db2.gz CDZDQMYXYZUQAK-UHFFFAOYSA-N -2 3 376.659 3.917 20 0 GHADHL CC1C[C@@H](C(=O)Nc2cccc(F)c2[O-])[C@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530005495 876981735 /nfs/dbraw/zinc/98/17/35/876981735.db2.gz LLKHVFOYKALFOD-VXGBXAGGSA-N -2 3 390.386 3.616 20 0 GHADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000515622226 877472710 /nfs/dbraw/zinc/47/27/10/877472710.db2.gz HYYPICLNLRELEX-UHFFFAOYSA-N -2 3 385.388 3.910 20 0 GHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000538299004 879207058 /nfs/dbraw/zinc/20/70/58/879207058.db2.gz PYPYFANEKKZZIA-UHFFFAOYSA-N -2 3 390.392 3.528 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)ccc1OCC(=O)[O-] ZINC000461330311 879588183 /nfs/dbraw/zinc/58/81/83/879588183.db2.gz DCBSMTGKUNKYTO-UHFFFAOYSA-N -2 3 375.446 3.527 20 0 GHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1Cl ZINC000326586188 888527980 /nfs/dbraw/zinc/52/79/80/888527980.db2.gz FIDIRYWGOKSLEU-UHFFFAOYSA-N -2 3 383.853 3.855 20 0 GHADHL O=C([O-])C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001184735328 913403247 /nfs/dbraw/zinc/40/32/47/913403247.db2.gz APCZGQFULCUKCJ-CQSZACIVSA-N -2 3 392.433 3.715 20 0 GHADHL O=C([O-])c1cnc(C=Cc2cccc(NC(=O)c3ccccc3Cl)c2)[n-]c1=O ZINC000670370068 891805635 /nfs/dbraw/zinc/80/56/35/891805635.db2.gz UOFJHYZSGBUCSU-HJWRWDBZSA-N -2 3 395.802 3.957 20 0 GHADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1csc2ccc(Cl)cc21 ZINC000826493202 901206904 /nfs/dbraw/zinc/20/69/04/901206904.db2.gz YCHPNIZDKGTHIO-UHFFFAOYSA-N -2 3 391.865 3.536 20 0 GHADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c([O-])c1 ZINC001189319741 916549866 /nfs/dbraw/zinc/54/98/66/916549866.db2.gz XBHOIACLPGHMHH-UHFFFAOYSA-N -2 3 399.415 3.568 20 0 GHADHL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000650391882 916944134 /nfs/dbraw/zinc/94/41/34/916944134.db2.gz FOXVDCFNQOYLLF-UHFFFAOYSA-N -2 3 386.857 3.574 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])c1Cl ZINC000547577844 931128040 /nfs/dbraw/zinc/12/80/40/931128040.db2.gz QUKUDONGSJXXNZ-NHYWBVRUSA-N -2 3 380.293 3.614 20 0 GHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)c1Cl ZINC000547593142 931138224 /nfs/dbraw/zinc/13/82/24/931138224.db2.gz QJKBUTFZNRLGIG-UHFFFAOYSA-N -2 3 388.272 3.521 20 0 GHADHL Cc1ccc(/C=C/S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC000799125191 932883371 /nfs/dbraw/zinc/88/33/71/932883371.db2.gz IRVXOYMNOLTILX-VAWYXSNFSA-N -2 3 375.446 3.893 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)c(C)c1 ZINC001595780980 982556288 /nfs/dbraw/zinc/55/62/88/982556288.db2.gz SZMLOAQWOMQFNN-UHFFFAOYSA-N -2 3 393.461 3.682 20 0 GHADHL CC(C)(C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001589727979 987926566 /nfs/dbraw/zinc/92/65/66/987926566.db2.gz DEWMMKFIRHTFHU-VXGBXAGGSA-N -2 3 377.865 3.670 20 0 GHADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)[C@H](C)c1ccccc1 ZINC001593330347 994893519 /nfs/dbraw/zinc/89/35/19/994893519.db2.gz HOEUTCDFSCYQQB-WDEREUQCSA-N -2 3 385.844 3.648 20 0 GHADHL COc1ccc([C@H](NC(=O)c2cc3sccc3c([O-])c2)C(=O)[O-])cc1Cl ZINC001599523868 997525925 /nfs/dbraw/zinc/52/59/25/997525925.db2.gz BTFKXIQIWTUFFA-INIZCTEOSA-N -2 3 391.832 3.825 20 0 GHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1C(F)(F)F ZINC000559148959 1017373964 /nfs/dbraw/zinc/37/39/64/1017373964.db2.gz CKGZHNJNQIUXBA-UHFFFAOYSA-N -2 3 385.363 3.693 20 0 GHADHL CC(C)Oc1cncc(COc2cc([O-])ccc2C(=O)c2ccc(O)cc2[O-])c1 ZINC001228122041 1032795858 /nfs/dbraw/zinc/79/58/58/1032795858.db2.gz KAEHQBCQVRBFFR-UHFFFAOYSA-N -2 3 395.411 3.796 20 0 GHADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000576477947 1020019578 /nfs/dbraw/zinc/01/95/78/1020019578.db2.gz JRKFGXSKMDFSCP-CMPLNLGQSA-N -2 3 380.293 3.695 20 0 GHADHL O=c1c(OC[C@@H]2CCCCO2)c(-c2ccc(O)cc2)oc2cc([O-])cc([O-])c12 ZINC001225627212 1031517240 /nfs/dbraw/zinc/51/72/40/1031517240.db2.gz XOEVJDXMDKWUJQ-HNNXBMFYSA-N -2 3 384.384 3.525 20 0 GHADHL O=C(Nc1cc(Br)ccc1[O-])c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153902808 1031801212 /nfs/dbraw/zinc/80/12/12/1031801212.db2.gz DPMCMPLRNSHNIK-UHFFFAOYSA-N -2 3 393.624 3.902 20 0 GHADHL CC[C@H]1OC(=O)C(Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)=C1C ZINC001229772127 1033702507 /nfs/dbraw/zinc/70/25/07/1033702507.db2.gz XKGOCSXBBMMIEW-OAHLLOKOSA-N -2 3 394.379 3.859 20 0 GHADHL Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)cc([O-])c1F ZINC001244505570 1036524463 /nfs/dbraw/zinc/52/44/63/1036524463.db2.gz ANCLLJFLCQQIOT-UHFFFAOYSA-N -2 3 394.374 3.981 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc3sccc32)c(F)cc1Cl ZINC001259224595 1045019451 /nfs/dbraw/zinc/01/94/51/1045019451.db2.gz NITOXHUABZNOGZ-UHFFFAOYSA-N -2 3 399.852 3.871 20 0 GHADHL O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(Br)cc1[O-] ZINC001259240914 1045036532 /nfs/dbraw/zinc/03/65/32/1045036532.db2.gz ZJZWNWYALFWWJB-UHFFFAOYSA-N -2 3 376.659 3.750 20 0 GHADHL COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)cc2)cc1 ZINC001260400183 1045487839 /nfs/dbraw/zinc/48/78/39/1045487839.db2.gz QYTXAPVECLQDPQ-UHFFFAOYSA-N -2 3 399.424 3.567 20 0 GHADHL CCC(CC)Oc1cccc(F)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260400426 1045488022 /nfs/dbraw/zinc/48/80/22/1045488022.db2.gz MKOGOSJRHDBBFM-UHFFFAOYSA-N -2 3 397.424 3.598 20 0 GHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC001260918715 1045772701 /nfs/dbraw/zinc/77/27/01/1045772701.db2.gz FPVYYUITBVZORR-UHFFFAOYSA-N -2 3 399.424 3.772 20 0 GHADHL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)cc1 ZINC001322628833 1056775628 /nfs/dbraw/zinc/77/56/28/1056775628.db2.gz OJYBMQFVMDOSAT-UHFFFAOYSA-N -2 3 398.278 3.794 20 0 GHADHL O=S(=O)([N-]c1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cccs1 ZINC000738341023 598557855 /nfs/dbraw/zinc/55/78/55/598557855.db2.gz CKELTIJVESXLQO-UHFFFAOYSA-N -2 3 399.457 3.521 20 0 GHADHL O=S(=O)([N-]c1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cccs1 ZINC000738341023 598557856 /nfs/dbraw/zinc/55/78/56/598557856.db2.gz CKELTIJVESXLQO-UHFFFAOYSA-N -2 3 399.457 3.521 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c(F)cc1F ZINC000740089926 600229827 /nfs/dbraw/zinc/22/98/27/600229827.db2.gz OAKBBKOGGHFDPX-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1C(=O)[O-] ZINC000505316980 600815350 /nfs/dbraw/zinc/81/53/50/600815350.db2.gz MEEPEDSIMITKHX-UHFFFAOYSA-N -2 3 384.413 3.681 20 0 GHADHL Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000833021505 601448943 /nfs/dbraw/zinc/44/89/43/601448943.db2.gz SJPRZQLGAULAAO-UHFFFAOYSA-N -2 3 377.344 3.706 20 0 GHADHL CCCCc1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])cc2[nH]1 ZINC000829441510 601486124 /nfs/dbraw/zinc/48/61/24/601486124.db2.gz VWNCVTJUSRVWFY-UHFFFAOYSA-N -2 3 391.424 3.544 20 0 GHADHL CC1CCN(c2ccc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])cc2)CC1 ZINC000828303247 601847777 /nfs/dbraw/zinc/84/77/77/601847777.db2.gz NNBBDYIRRFGJPO-UHFFFAOYSA-N -2 3 392.452 3.561 20 0 GHADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000654896351 834757857 /nfs/dbraw/zinc/75/78/57/834757857.db2.gz PAMGANLQTKTIKF-UHFFFAOYSA-N -2 3 393.361 3.852 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc(C(=O)[O-])c1C ZINC000471136185 834890526 /nfs/dbraw/zinc/89/05/26/834890526.db2.gz IMEVTPFSURRJLG-UHFFFAOYSA-N -2 3 384.251 3.565 20 0 GHADHL O=C(N=c1[n-]nc([C@H]2CCCc3ccccc32)s1)c1cc(-c2ccco2)[n-]n1 ZINC000432598068 843253372 /nfs/dbraw/zinc/25/33/72/843253372.db2.gz AAXWEKLPDSDUBU-AWEZNQCLSA-N -2 3 391.456 3.664 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1C(=O)[O-] ZINC000432758853 843725477 /nfs/dbraw/zinc/72/54/77/843725477.db2.gz HEBFYGZRWRYORW-UHFFFAOYSA-N -2 3 377.462 3.736 20 0 GHADHL CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)cc2c1C ZINC000473482171 843835139 /nfs/dbraw/zinc/83/51/39/843835139.db2.gz SDWQQFHRRSMLEF-UHFFFAOYSA-N -2 3 393.392 3.563 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(Cl)cc1F ZINC000323617499 843967021 /nfs/dbraw/zinc/96/70/21/843967021.db2.gz MJQVABIETAXNQS-UHFFFAOYSA-N -2 3 378.208 3.940 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)c(C)c1C(=O)[O-] ZINC000512765978 845465475 /nfs/dbraw/zinc/46/54/75/845465475.db2.gz FKASIEIODWNZOY-UHFFFAOYSA-N -3 3 391.445 3.624 20 0 GHADHL O=C(Nc1cc(Cl)ccc1[O-])c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000179464173 861590937 /nfs/dbraw/zinc/59/09/37/861590937.db2.gz AYPQAZLSZNCIBF-UHFFFAOYSA-N -2 3 393.624 3.902 20 0 GHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c(Cl)c1 ZINC000582395244 847103490 /nfs/dbraw/zinc/10/34/90/847103490.db2.gz ZSCIZNWWNCOKNK-UHFFFAOYSA-N -2 3 397.733 3.997 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(C)c1 ZINC000515694286 851368290 /nfs/dbraw/zinc/36/82/90/851368290.db2.gz JXGHLWZPXVWIFM-UHFFFAOYSA-N -2 3 377.462 3.900 20 0 GHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c(C)cc1Br ZINC000522651202 862239015 /nfs/dbraw/zinc/23/90/15/862239015.db2.gz CLKVOJHKLKZDLZ-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(F)ccc1[O-] ZINC000436758799 852277969 /nfs/dbraw/zinc/27/79/69/852277969.db2.gz OVSPPWYVXZKZJU-UHFFFAOYSA-N -2 3 386.404 3.584 20 0 GHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000438775459 852835733 /nfs/dbraw/zinc/83/57/33/852835733.db2.gz QIXGWCADTPZAMX-UHFFFAOYSA-N -2 3 387.379 3.907 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H](C)CC)cc2)cc1C(=O)[O-] ZINC000589938545 855193504 /nfs/dbraw/zinc/19/35/04/855193504.db2.gz KOBBCDHDQFTOAZ-CYBMUJFWSA-N -2 3 393.461 3.762 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H](C)CC)cc2)cc1C(=O)[O-] ZINC000589938546 855193710 /nfs/dbraw/zinc/19/37/10/855193710.db2.gz KOBBCDHDQFTOAZ-ZDUSSCGKSA-N -2 3 393.461 3.762 20 0 GHADHL COc1ccc(-c2nnc([N-]C(=O)c3cc(F)c(F)c([O-])c3F)s2)cc1 ZINC000183579091 858777821 /nfs/dbraw/zinc/77/78/21/858777821.db2.gz NIXGLTLDLJSECE-UHFFFAOYSA-N -2 3 381.335 3.589 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cc1OCC ZINC000522395647 859325828 /nfs/dbraw/zinc/32/58/28/859325828.db2.gz SGGGJSUQLKKVCA-UHFFFAOYSA-N -2 3 393.461 3.600 20 0 GHADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c(C)c1F ZINC000184537818 864652089 /nfs/dbraw/zinc/65/20/89/864652089.db2.gz NEWZJHOVAIVXHA-UHFFFAOYSA-N -2 3 380.224 3.956 20 0 GHADHL COc1ccc(C(=O)N2CCC([C@H](CC(=O)[O-])c3ccccc3)CC2)c([O-])c1 ZINC000622000686 864681528 /nfs/dbraw/zinc/68/15/28/864681528.db2.gz XMEGRIRYVPAXEA-LJQANCHMSA-N -2 3 383.444 3.512 20 0 GHADHL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccc1OC(C)C ZINC000741654884 866697263 /nfs/dbraw/zinc/69/72/63/866697263.db2.gz SGNXSHJKDWDSPO-UHFFFAOYSA-N -2 3 383.853 3.935 20 0 GHADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1C(=O)[O-] ZINC000479260200 867447005 /nfs/dbraw/zinc/44/70/05/867447005.db2.gz REWQRNFCBNEBSU-UHFFFAOYSA-N -2 3 379.743 3.565 20 0 GHADHL COc1cc(-c2noc(-c3cc(F)ccc3[O-])n2)cc(Br)c1[O-] ZINC000445391570 868343333 /nfs/dbraw/zinc/34/33/33/868343333.db2.gz KZLCRIVBAKPXTE-UHFFFAOYSA-N -2 3 381.157 3.725 20 0 GHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)cc1 ZINC001192638848 870584107 /nfs/dbraw/zinc/58/41/07/870584107.db2.gz GNTOVZVLWSGYHQ-UHFFFAOYSA-N -2 3 393.461 3.763 20 0 GHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)cc1C(=O)[O-] ZINC000447269159 871292777 /nfs/dbraw/zinc/29/27/77/871292777.db2.gz ZVZOTKNXXBUSDE-UHFFFAOYSA-N -2 3 393.461 3.680 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)ccc1OC(C)C ZINC000463790270 872564689 /nfs/dbraw/zinc/56/46/89/872564689.db2.gz SPEZJGDSHJJNAR-UHFFFAOYSA-N -2 3 393.461 3.598 20 0 GHADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000541807187 874324699 /nfs/dbraw/zinc/32/46/99/874324699.db2.gz DYJHUJITOIDLIF-HNNXBMFYSA-N -2 3 391.489 3.785 20 0 GHADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])c1ccccc1 ZINC000451015037 877235873 /nfs/dbraw/zinc/23/58/73/877235873.db2.gz KBXJEECKNLCINR-OAHLLOKOSA-N -2 3 375.368 3.540 20 0 GHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cnc1Cl ZINC001185875380 914135568 /nfs/dbraw/zinc/13/55/68/914135568.db2.gz ABOJRGNCZFVOFF-UHFFFAOYSA-N -2 3 394.758 3.561 20 0 GHADHL CC[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-])c1nc(C)cs1 ZINC000645964527 914155668 /nfs/dbraw/zinc/15/56/68/914155668.db2.gz DXNZXPMBCZDNKK-LLVKDONJSA-N -2 3 396.515 3.794 20 0 GHADHL O=C([O-])c1nc(C=Cc2cccc(-c3nnn[n-]3)c2)sc1-c1ccccc1 ZINC000826462482 900682321 /nfs/dbraw/zinc/68/23/21/900682321.db2.gz ZEZYFNHQOUFISC-MDZDMXLPSA-N -2 3 375.413 3.859 20 0 GHADHL O=C([O-])c1nc(C=Cc2cccc(-c3nn[n-]n3)c2)sc1-c1ccccc1 ZINC000826462482 900682332 /nfs/dbraw/zinc/68/23/32/900682332.db2.gz ZEZYFNHQOUFISC-MDZDMXLPSA-N -2 3 375.413 3.859 20 0 GHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2cccnc2)cc1 ZINC000577892609 903314765 /nfs/dbraw/zinc/31/47/65/903314765.db2.gz ZZIGAEUOJZMPFS-UHFFFAOYSA-N -2 3 398.440 3.935 20 0 GHADHL Cc1c[nH]c2ccc([N-]S(=O)(=O)c3c(C)cc(C)c(CC(=O)[O-])c3C)cc12 ZINC000629313968 906695391 /nfs/dbraw/zinc/69/53/91/906695391.db2.gz GHJQPYVTVWJZNY-UHFFFAOYSA-N -2 3 386.473 3.829 20 0 GHADHL C[C@@H](C(=O)NCCCCP(=O)([O-])[O-])c1cccc(Oc2ccccc2)c1 ZINC001182743712 912023254 /nfs/dbraw/zinc/02/32/54/912023254.db2.gz XLNXLCWOBKLIOQ-OAHLLOKOSA-N -2 3 377.377 3.657 20 0 GHADHL O=S(=O)(Cc1cccc(Br)c1)[N-]c1nc2c(cccc2[O-])s1 ZINC001188646112 916075840 /nfs/dbraw/zinc/07/58/40/916075840.db2.gz WAHCKJMXEWGBDQ-UHFFFAOYSA-N -2 3 399.291 3.706 20 0 GHADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1cc(C(F)(F)F)ccc1F ZINC001190288390 917247596 /nfs/dbraw/zinc/24/75/96/917247596.db2.gz JKAYKKNPFRWBIA-UHFFFAOYSA-N -2 3 392.355 3.961 20 0 GHADHL CCCOc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000543865365 928512340 /nfs/dbraw/zinc/51/23/40/928512340.db2.gz KUHNBRLMOGBVFB-UHFFFAOYSA-N -2 3 391.489 3.829 20 0 GHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000547556986 931113578 /nfs/dbraw/zinc/11/35/78/931113578.db2.gz HEJPBPXNWKWVAL-UHFFFAOYSA-N -2 3 398.278 3.873 20 0 GHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc(F)c1F ZINC000782541011 931262379 /nfs/dbraw/zinc/26/23/79/931262379.db2.gz RCJIHYIUIYUZQR-UHFFFAOYSA-N -2 3 397.330 3.863 20 0 GHADHL O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1F ZINC000324224207 971098882 /nfs/dbraw/zinc/09/88/82/971098882.db2.gz FXCKCLOCHFKANQ-UHFFFAOYSA-N -2 3 382.171 3.771 20 0 GHADHL C[C@@]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)(C(=O)[O-])c1ccccc1 ZINC001589088522 955919945 /nfs/dbraw/zinc/91/99/45/955919945.db2.gz YORISPVQGZQUDJ-INIZCTEOSA-N -2 3 398.203 3.657 20 0 GHADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000400670283 973307195 /nfs/dbraw/zinc/30/71/95/973307195.db2.gz VFBPHKRIXNRGTA-KCJUWKMLSA-N -2 3 387.807 3.527 20 0 GHADHL O=C([O-])CC[C@@H]1CCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC001606122957 973362509 /nfs/dbraw/zinc/36/25/09/973362509.db2.gz GVUZNWQHQHUMQV-LBPRGKRZSA-N -2 3 387.461 3.876 20 0 GHADHL C[C@@](Cc1ccc(Cl)cc1)(NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001592838071 979585103 /nfs/dbraw/zinc/58/51/03/979585103.db2.gz IXUFQRUXVXLUCG-FQEVSTJZSA-N -2 3 393.842 3.710 20 0 GHADHL CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC001595796563 982602653 /nfs/dbraw/zinc/60/26/53/982602653.db2.gz OICCWWWDICTFOY-UHFFFAOYSA-N -2 3 377.462 3.684 20 0 GHADHL CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001591266939 992183420 /nfs/dbraw/zinc/18/34/20/992183420.db2.gz XTNDTPDSTYGFLX-UHFFFAOYSA-N -2 3 377.462 3.539 20 0 GHADHL COc1ccc([C@@H]([N-]C(=O)C(F)(F)c2ccccc2C)C(=O)[O-])cc1Cl ZINC001599516849 997405262 /nfs/dbraw/zinc/40/52/62/997405262.db2.gz AGHBHIWUXCBJSE-OAHLLOKOSA-N -2 3 383.778 3.691 20 0 GHADHL O=C(Nc1ccc(Br)cc1[O-])c1ccc(Br)cc1[O-] ZINC001141622812 1025932601 /nfs/dbraw/zinc/93/26/01/1025932601.db2.gz OWWRRCITFZXCMK-UHFFFAOYSA-N -2 3 387.027 3.875 20 0 GHADHL COC([O-])=NC(=S)N(c1ccccc1N)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001214751623 1028901758 /nfs/dbraw/zinc/90/17/58/1028901758.db2.gz QPPKEWHMPLZNDN-UHFFFAOYSA-N -2 3 397.815 3.539 20 0 GHADHL C[C@H]1CC[C@@H](COc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)O1 ZINC001225625294 1031515800 /nfs/dbraw/zinc/51/58/00/1031515800.db2.gz HPVJDYUSIGLPRB-NHYWBVRUSA-N -2 3 384.384 3.523 20 0 GHADHL C[C@H](Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1)c1cncnc1 ZINC001225628636 1031517760 /nfs/dbraw/zinc/51/77/60/1031517760.db2.gz QMULCZDBKNICKC-NSHDSACASA-N -2 3 392.367 3.507 20 0 GHADHL O=c1c(OC2CCN(CCF)CC2)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001229771578 1033701818 /nfs/dbraw/zinc/70/18/18/1033701818.db2.gz KBMVIQBZVPHULM-UHFFFAOYSA-N -2 3 399.418 3.684 20 0 GHADHL CCOC(=O)C[C@@H](C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccccc1 ZINC001229772058 1033702252 /nfs/dbraw/zinc/70/22/52/1033702252.db2.gz UYBDKFDPXPXIKX-GFCCVEGCSA-N -2 3 384.384 3.592 20 0 GHADHL Cc1ccc(F)c(-c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)c1[O-] ZINC001236391640 1041696383 /nfs/dbraw/zinc/69/63/83/1041696383.db2.gz MLQRLTJZKGCKOQ-UHFFFAOYSA-N -2 3 394.374 3.981 20 0 GHADHL O=S(=O)([N-]c1nc2ccccc2nc1-c1ccccc1[O-])c1cccs1 ZINC001241009795 1042969712 /nfs/dbraw/zinc/96/97/12/1042969712.db2.gz XUICHCZFFXVILJ-UHFFFAOYSA-N -2 3 383.454 3.865 20 0 GHADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ncc([O-])cc3Cl)s2)cs1 ZINC001259978696 1045339108 /nfs/dbraw/zinc/33/91/08/1045339108.db2.gz JDZXLISFYZXIIR-UHFFFAOYSA-N -2 3 387.895 3.735 20 0 GHADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2c(Cl)cc(F)cc2C2CC2)c1 ZINC001260216364 1045417474 /nfs/dbraw/zinc/41/74/74/1045417474.db2.gz FKZJJDSPQUMSNA-UHFFFAOYSA-N -2 3 387.791 3.995 20 0 GHADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[S-])cc1 ZINC001260238869 1045422832 /nfs/dbraw/zinc/42/28/32/1045422832.db2.gz NUPZZMABUNCKSJ-UHFFFAOYSA-N -2 3 391.392 3.582 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)ccc1[S-] ZINC001260855214 1045715644 /nfs/dbraw/zinc/71/56/44/1045715644.db2.gz FICQEOKCOPEFTN-UHFFFAOYSA-N -2 3 392.271 3.686 20 0 GHADHL Cn1cc(-c2ccc([N-]S(=O)(=O)c3cc(Cl)c([O-])c(Cl)c3)cc2)cn1 ZINC001260867378 1045723444 /nfs/dbraw/zinc/72/34/44/1045723444.db2.gz VZJCYCUNZIZPPJ-UHFFFAOYSA-N -2 3 398.271 3.900 20 0 GHADHL O=S(=O)([N-][C@@H](C1CCC1)C(F)(F)F)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260878651 1045735673 /nfs/dbraw/zinc/73/56/73/1045735673.db2.gz CYUYVMBRAGREDS-NSHDSACASA-N -2 3 378.199 3.708 20 0 GHADHL COc1cc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)ccc1[S-] ZINC001261048464 1045868596 /nfs/dbraw/zinc/86/85/96/1045868596.db2.gz CRFQWQDEOVCUKG-UHFFFAOYSA-N -2 3 388.308 3.856 20 0 GHADHL O=C([O-])c1ccc(CNCc2cc(Br)cc(F)c2[O-])nc1C1CC1 ZINC000904019742 1050488198 /nfs/dbraw/zinc/48/81/98/1050488198.db2.gz ZDUJBFRCLCIPNF-UHFFFAOYSA-N -2 3 395.228 3.554 20 0 GHADHL O=C(Nc1cccc([O-])c1F)c1c([O-])cnc2c(Br)cccc21 ZINC001330137382 1050963876 /nfs/dbraw/zinc/96/38/76/1050963876.db2.gz DOJXRKHSUZWVBV-UHFFFAOYSA-N -2 3 377.169 3.800 20 0 GHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)cc1Cl ZINC001338903409 1058868425 /nfs/dbraw/zinc/86/84/25/1058868425.db2.gz NQANZYDNRJADOB-UHFFFAOYSA-N -2 3 376.659 3.917 20 0 GHADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000737051693 600488735 /nfs/dbraw/zinc/48/87/35/600488735.db2.gz YQDDJAZWQJQPTN-UHFFFAOYSA-N -2 3 377.462 3.684 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1Cl ZINC000048382853 600543349 /nfs/dbraw/zinc/54/33/49/600543349.db2.gz WVQMRPLBMYNSEW-UHFFFAOYSA-N -2 3 399.852 3.636 20 0 GHADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(NC(=O)[O-])cc3)cc(Cl)c2O1 ZINC000736825513 600635297 /nfs/dbraw/zinc/63/52/97/600635297.db2.gz MZQOCMXXWBFXDM-SECBINFHSA-N -2 3 382.825 3.554 20 0 GHADHL O=C([O-])[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1ccccc1F ZINC000833170415 600833025 /nfs/dbraw/zinc/83/30/25/600833025.db2.gz QFQJMYLUVMTLCU-HNNXBMFYSA-N -2 3 396.403 3.578 20 0 GHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1C(F)(F)F ZINC000039668117 601320019 /nfs/dbraw/zinc/32/00/19/601320019.db2.gz SMAHXYCOASBMFY-UHFFFAOYSA-N -2 3 377.315 3.652 20 0 GHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1OCCC ZINC000013265284 601357230 /nfs/dbraw/zinc/35/72/30/601357230.db2.gz QKYRPJJADTUCFM-UHFFFAOYSA-N -2 3 393.461 3.763 20 0 GHADHL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)C=Cc2ccccc2Cl)c1 ZINC000739918312 602652285 /nfs/dbraw/zinc/65/22/85/602652285.db2.gz QRWOFVFBQOUYKB-HJWRWDBZSA-N -2 3 382.825 3.851 20 0 GHADHL