smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(N=NC=CCc2ccccc2[N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000886005347 1071314683 /nfs/dbraw/zinc/31/46/83/1071314683.db2.gz VPTIROPITLOWSE-UCMXZAMVSA-N -1 1 501.908 5.068 50 30 KKEAMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000886005282 1071314731 /nfs/dbraw/zinc/31/47/31/1071314731.db2.gz KAIBIUJQLRNGBU-UHFFFAOYSA-N -1 1 523.796 5.648 50 30 KKEAMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cccc(N=C2C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)c1 ZINC000254395862 1072852267 /nfs/dbraw/zinc/85/22/67/1072852267.db2.gz BCBGXTFJRWBPNN-LJAQVGFWSA-N -1 1 548.586 6.954 50 30 KKEAMM COc1ccc2ccccc2c1CN=Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000254395974 1072852312 /nfs/dbraw/zinc/85/23/12/1072852312.db2.gz CCEOEIGYUDZXEY-UHFFFAOYSA-N -1 1 504.568 5.620 50 30 KKEAMM Cn1c2ccccc2c(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])c1-c1ccccc1 ZINC000254555598 1072863516 /nfs/dbraw/zinc/86/35/16/1072863516.db2.gz ADVVQNCAPHXHBL-UHFFFAOYSA-N -1 1 525.590 6.000 50 30 KKEAMM Cc1ccc(C(=O)N=C2c3ccccc3CN2c2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000254760328 1072877476 /nfs/dbraw/zinc/87/74/76/1072877476.db2.gz WWSKTQGVHAPLOK-UHFFFAOYSA-N -1 1 618.681 7.022 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000000631074 551505028 /nfs/dbraw/zinc/50/50/28/551505028.db2.gz SSVDCJNAOGIWTQ-GOSISDBHSA-N -1 1 545.386 5.313 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000000702555 551529594 /nfs/dbraw/zinc/52/95/94/551529594.db2.gz BUPGSFIOHWNZNS-MHZLTWQESA-N -1 1 584.650 6.033 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000000702555 551529596 /nfs/dbraw/zinc/52/95/96/551529596.db2.gz BUPGSFIOHWNZNS-MHZLTWQESA-N -1 1 584.650 6.033 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000000703141 551530658 /nfs/dbraw/zinc/53/06/58/551530658.db2.gz HUXBVOQCBXCJJK-XMMPIXPASA-N -1 1 512.543 5.930 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000000703141 551530662 /nfs/dbraw/zinc/53/06/62/551530662.db2.gz HUXBVOQCBXCJJK-XMMPIXPASA-N -1 1 512.543 5.930 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000000703140 551530780 /nfs/dbraw/zinc/53/07/80/551530780.db2.gz HUXBVOQCBXCJJK-DEOSSOPVSA-N -1 1 512.543 5.930 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000000703140 551530781 /nfs/dbraw/zinc/53/07/81/551530781.db2.gz HUXBVOQCBXCJJK-DEOSSOPVSA-N -1 1 512.543 5.930 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000000703130 551530784 /nfs/dbraw/zinc/53/07/84/551530784.db2.gz YQSRTHFTUCXNRW-SANMLTNESA-N -1 1 540.597 6.547 50 30 KKEAMM COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccc(F)c2)cc(OC)c1OC ZINC000000985931 551592797 /nfs/dbraw/zinc/59/27/97/551592797.db2.gz ATWFLZVWWLZNAF-QPHCHLROSA-N -1 1 574.605 5.617 50 30 KKEAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccs2)cc1OC ZINC000001097625 551607877 /nfs/dbraw/zinc/60/78/77/551607877.db2.gz SKXIFIORZWGYRB-LDLUVENISA-N -1 1 532.618 5.531 50 30 KKEAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccs2)cc1OC ZINC000001097624 551607951 /nfs/dbraw/zinc/60/79/51/551607951.db2.gz SKXIFIORZWGYRB-RBSBEOHCSA-N -1 1 532.618 5.531 50 30 KKEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001097617 551608031 /nfs/dbraw/zinc/60/80/31/551608031.db2.gz HRLPTMVMFGNOFG-ADXZGYQBSA-N -1 1 545.979 6.014 50 30 KKEAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccs2)cc1OC ZINC000001097627 551608038 /nfs/dbraw/zinc/60/80/38/551608038.db2.gz SKXIFIORZWGYRB-LBEKAKSKSA-N -1 1 532.618 5.531 50 30 KKEAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001321715 551641805 /nfs/dbraw/zinc/64/18/05/551641805.db2.gz KDEJRUYPPHGUQM-UGDMGKLASA-N -1 1 554.599 5.247 50 30 biogenic KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000001449132 551674573 /nfs/dbraw/zinc/67/45/73/551674573.db2.gz HTEJIGXICJCHCW-VWLOTQADSA-N -1 1 530.602 5.885 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000001449132 551674574 /nfs/dbraw/zinc/67/45/74/551674574.db2.gz HTEJIGXICJCHCW-VWLOTQADSA-N -1 1 530.602 5.885 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001449476 551674826 /nfs/dbraw/zinc/67/48/26/551674826.db2.gz DBIIRGCEZFAHEL-DEOSSOPVSA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001449476 551674828 /nfs/dbraw/zinc/67/48/28/551674828.db2.gz DBIIRGCEZFAHEL-DEOSSOPVSA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001449902 551674869 /nfs/dbraw/zinc/67/48/69/551674869.db2.gz NBLSQIAUIQQOKY-RUZDIDTESA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001449902 551674872 /nfs/dbraw/zinc/67/48/72/551674872.db2.gz NBLSQIAUIQQOKY-RUZDIDTESA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001450206 551675122 /nfs/dbraw/zinc/67/51/22/551675122.db2.gz NUHUEVJOHNARNX-JOCHJYFZSA-N -1 1 536.562 5.097 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000001450199 551675165 /nfs/dbraw/zinc/67/51/65/551675165.db2.gz ZXZFDGRVPMENAU-IBGZPJMESA-N -1 1 517.415 6.456 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001450365 551675652 /nfs/dbraw/zinc/67/56/52/551675652.db2.gz NUQVUXMVTIIUQS-RUZDIDTESA-N -1 1 546.601 5.422 50 30 KKEAMM COc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001453809 551676312 /nfs/dbraw/zinc/67/63/12/551676312.db2.gz MNVGOQCVRBJFQQ-PLTNMMHCSA-N -1 1 556.615 5.478 50 30 biogenic KKEAMM COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001457572 551677416 /nfs/dbraw/zinc/67/74/16/551677416.db2.gz AWUVMGNLLWGWBU-JPZYQRIQSA-N -1 1 510.590 5.769 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000001479908 551681148 /nfs/dbraw/zinc/68/11/48/551681148.db2.gz SNIQVJVQMGPYOZ-XMMPIXPASA-N -1 1 544.585 5.273 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000001480014 551681506 /nfs/dbraw/zinc/68/15/06/551681506.db2.gz AIYJTABEGJEOSG-NRFANRHFSA-N -1 1 524.570 5.257 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001480647 551681813 /nfs/dbraw/zinc/68/18/13/551681813.db2.gz KJMVJJARQARTPL-VWLOTQADSA-N -1 1 530.602 5.722 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001480831 551681851 /nfs/dbraw/zinc/68/18/51/551681851.db2.gz PAPSCMMXNDUQRQ-RUZDIDTESA-N -1 1 530.602 5.804 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000001480650 551681982 /nfs/dbraw/zinc/68/19/82/551681982.db2.gz UPOMRMXERLLORY-XMMPIXPASA-N -1 1 530.602 5.722 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480881 551682190 /nfs/dbraw/zinc/68/21/90/551682190.db2.gz DCPGPPQUYHMSAO-RUZDIDTESA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480881 551682192 /nfs/dbraw/zinc/68/21/92/551682192.db2.gz DCPGPPQUYHMSAO-RUZDIDTESA-N -1 1 546.601 5.504 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482294 551682664 /nfs/dbraw/zinc/68/26/64/551682664.db2.gz ADLCVEBPCULLPK-DEOSSOPVSA-N -1 1 530.602 5.722 50 30 KKEAMM CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(Br)cc(I)c3[O-])S2)cc1 ZINC000002178012 551784284 /nfs/dbraw/zinc/78/42/84/551784284.db2.gz LCLVQGRVTGGRBQ-NVNXTCNLSA-N -1 1 529.197 5.213 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451436 552078018 /nfs/dbraw/zinc/07/80/18/552078018.db2.gz VJHHTPBDBGPSGJ-QHCPKHFHSA-N -1 1 534.590 5.569 50 30 KKEAMM [O-]c1c(Br)cc(Br)cc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000002357077 552101252 /nfs/dbraw/zinc/10/12/52/552101252.db2.gz AFNZFILSRBBQNY-JFLMPSFJSA-N -1 1 527.260 5.639 50 30 KKEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000002719408 552163595 /nfs/dbraw/zinc/16/35/95/552163595.db2.gz WQPJXNOQFIYCPB-JOCHJYFZSA-N -1 1 533.650 5.701 50 30 KKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002719484 552163630 /nfs/dbraw/zinc/16/36/30/552163630.db2.gz DUSVZTJKOPQOTH-JOCHJYFZSA-N -1 1 538.069 6.346 50 30 KKEAMM COc1cc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000002719487 552163970 /nfs/dbraw/zinc/16/39/70/552163970.db2.gz SXROXWKIBZDGTO-QFIPXVFZSA-N -1 1 568.095 6.354 50 30 KKEAMM [O-]c1c(Br)cc(Br)c(C=Nn2c(=S)[nH]nc2-c2ccccc2)c1Br ZINC000003043857 552274656 /nfs/dbraw/zinc/27/46/56/552274656.db2.gz ZEZCBQRHYPXYGH-FBCYGCLPSA-N -1 1 533.043 5.483 50 30 KKEAMM O=C(Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000003177955 552300103 /nfs/dbraw/zinc/30/01/03/552300103.db2.gz KIBQFXOJQXBEEG-UHFFFAOYSA-N -1 1 594.637 5.009 50 30 KKEAMM CCCC(=O)N1CCN(c2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Br)c3[O-])cc2)CC1 ZINC000004121824 552439511 /nfs/dbraw/zinc/43/95/11/552439511.db2.gz BSHUVLGWNPGYPQ-ZCTHSVRISA-N -1 1 554.916 6.598 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccs1 ZINC000004398395 552458709 /nfs/dbraw/zinc/45/87/09/552458709.db2.gz WRLPSJVPFIQMMC-NRFANRHFSA-N -1 1 531.640 6.421 50 30 KKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc(F)cc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793394 552485289 /nfs/dbraw/zinc/48/52/89/552485289.db2.gz UXTDAJMTQZXKME-OAQYLSRUSA-N -1 1 510.034 6.364 50 30 KKEAMM O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)c1c(=O)[n-]c(SCc3cccc(F)c3)nc1N2 ZINC000004793665 552485457 /nfs/dbraw/zinc/48/54/57/552485457.db2.gz DZHLJNSYYPPRFY-LJQANCHMSA-N -1 1 512.404 5.528 50 30 KKEAMM O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)c1c(=O)[n-]c(SCc3cccc(Cl)c3)nc1N2 ZINC000004793676 552485502 /nfs/dbraw/zinc/48/55/02/552485502.db2.gz JRZLSJIJFWFWCN-LJQANCHMSA-N -1 1 528.859 6.043 50 30 KKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793603 552485554 /nfs/dbraw/zinc/48/55/54/552485554.db2.gz SIDDUDNDRAEIJT-OAQYLSRUSA-N -1 1 502.596 5.892 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000005355289 552498538 /nfs/dbraw/zinc/49/85/38/552498538.db2.gz BYKXEOZUEXTFEF-DEOSSOPVSA-N -1 1 562.688 6.416 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000005355234 552498588 /nfs/dbraw/zinc/49/85/88/552498588.db2.gz ZODDBSSJTXWHFG-OAQYLSRUSA-N -1 1 541.025 5.772 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000005355349 552498669 /nfs/dbraw/zinc/49/86/69/552498669.db2.gz KBXTXZFXTNAADZ-XMMPIXPASA-N -1 1 580.659 5.613 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000005355587 552498900 /nfs/dbraw/zinc/49/89/00/552498900.db2.gz LLJHUJOOSNOTDU-QFIPXVFZSA-N -1 1 520.607 5.427 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000005355581 552499040 /nfs/dbraw/zinc/49/90/40/552499040.db2.gz LLJHUJOOSNOTDU-JOCHJYFZSA-N -1 1 520.607 5.427 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000005918671 552511728 /nfs/dbraw/zinc/51/17/28/552511728.db2.gz CPWXMAVLODQFDH-QHCPKHFHSA-N -1 1 566.632 5.217 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000005919025 552511994 /nfs/dbraw/zinc/51/19/94/552511994.db2.gz UYHZLQLCXOSFCG-HSZRJFAPSA-N -1 1 567.063 6.328 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)cc1C ZINC000005919761 552512265 /nfs/dbraw/zinc/51/22/65/552512265.db2.gz VKIRJVMINXGIJB-JOCHJYFZSA-N -1 1 553.036 5.938 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccccc2F)nc1C ZINC000005927820 552513054 /nfs/dbraw/zinc/51/30/54/552513054.db2.gz GLTAZSUVMUFFPX-QFIPXVFZSA-N 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ZINC000008836675 553163171 /nfs/dbraw/zinc/16/31/71/553163171.db2.gz SEXSWBQPTIBYIW-HXUWFJFHSA-N -1 1 510.999 5.798 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008836991 553163456 /nfs/dbraw/zinc/16/34/56/553163456.db2.gz LCTVLKBDYNETHP-DEOSSOPVSA-N -1 1 516.575 5.495 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008838144 553165017 /nfs/dbraw/zinc/16/50/17/553165017.db2.gz UOVWCLCCXNKFKL-QHCPKHFHSA-N -1 1 520.538 5.244 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000008845734 553165727 /nfs/dbraw/zinc/16/57/27/553165727.db2.gz FVGXIPKEBQJGLU-UPCLLVRISA-N -1 1 519.623 5.522 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000008845734 553165729 /nfs/dbraw/zinc/16/57/29/553165729.db2.gz FVGXIPKEBQJGLU-UPCLLVRISA-N -1 1 519.623 5.522 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000008845780 553165816 /nfs/dbraw/zinc/16/58/16/553165816.db2.gz JUIZRAMVRAFVMG-RUZDIDTESA-N -1 1 512.587 5.822 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000008845780 553165819 /nfs/dbraw/zinc/16/58/19/553165819.db2.gz JUIZRAMVRAFVMG-RUZDIDTESA-N -1 1 512.587 5.822 50 30 KKEAMM COc1ccc(/C=N/n2c(/N=C/c3cc(Cl)ccc3[O-])nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000008856880 553167837 /nfs/dbraw/zinc/16/78/37/553167837.db2.gz FHFXXKAPNFEEGD-PBTKGXEFSA-N -1 1 506.993 7.218 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894603 553177642 /nfs/dbraw/zinc/17/76/42/553177642.db2.gz KXMMZJMRNFOSEM-QHCPKHFHSA-N -1 1 502.617 6.268 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000008919873 553188980 /nfs/dbraw/zinc/18/89/80/553188980.db2.gz LGZNTVXRJLZVIO-QHCPKHFHSA-N -1 1 500.576 5.713 50 30 KKEAMM C=CCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000008934557 553192973 /nfs/dbraw/zinc/19/29/73/553192973.db2.gz ROXPFWSXKBQCNW-GOSISDBHSA-N -1 1 518.228 6.756 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008934737 553193247 /nfs/dbraw/zinc/19/32/47/553193247.db2.gz PIYQCIXIKZNBKO-QHCPKHFHSA-N -1 1 516.550 5.567 50 30 KKEAMM CC1(C)SC(=S)N(/N=C/c2c(O)ccc3ccccc32)[C@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000008951409 553193550 /nfs/dbraw/zinc/19/35/50/553193550.db2.gz IGMUVMWWKMYOIT-HMHIXTCJSA-N -1 1 501.033 5.894 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008974004 553195435 /nfs/dbraw/zinc/19/54/35/553195435.db2.gz RINCIRYZDTZFCP-QHCPKHFHSA-N -1 1 515.547 5.613 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008973763 553195485 /nfs/dbraw/zinc/19/54/85/553195485.db2.gz KGTNDQIIUPTCBM-XMMPIXPASA-N -1 1 516.594 6.524 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000008987988 553196853 /nfs/dbraw/zinc/19/68/53/553196853.db2.gz LCIQDRTVGIVKGQ-HXUWFJFHSA-N -1 1 515.443 7.064 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000008996883 553197464 /nfs/dbraw/zinc/19/74/64/553197464.db2.gz HYNKNKVRGWVTCC-HSZRJFAPSA-N -1 1 504.995 6.358 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008996558 553197469 /nfs/dbraw/zinc/19/74/69/553197469.db2.gz XMAMXRICPKMTAR-DEOSSOPVSA-N -1 1 502.592 6.332 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008996558 553197470 /nfs/dbraw/zinc/19/74/70/553197470.db2.gz XMAMXRICPKMTAR-DEOSSOPVSA-N -1 1 502.592 6.332 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009007489 553198131 /nfs/dbraw/zinc/19/81/31/553198131.db2.gz WIHYQSAEIYTZAM-DEOSSOPVSA-N -1 1 500.576 5.713 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000009008056 553198471 /nfs/dbraw/zinc/19/84/71/553198471.db2.gz JOADRHRSTYFYRF-HSZRJFAPSA-N -1 1 518.566 5.852 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009065074 553205713 /nfs/dbraw/zinc/20/57/13/553205713.db2.gz UHLQQBASEQOHMF-QHCPKHFHSA-N -1 1 520.994 6.140 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009067686 553206418 /nfs/dbraw/zinc/20/64/18/553206418.db2.gz BZXRXDJOXUYCER-QFIPXVFZSA-N -1 1 506.605 5.938 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009068490 553206617 /nfs/dbraw/zinc/20/66/17/553206617.db2.gz XPBDRBOWZMLTSU-QHCPKHFHSA-N -1 1 520.994 6.140 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009070704 553207045 /nfs/dbraw/zinc/20/70/45/553207045.db2.gz CSGZZEJNKNOSQS-HSZRJFAPSA-N -1 1 504.995 6.440 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009070704 553207046 /nfs/dbraw/zinc/20/70/46/553207046.db2.gz CSGZZEJNKNOSQS-HSZRJFAPSA-N -1 1 504.995 6.440 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009123033 553212353 /nfs/dbraw/zinc/21/23/53/553212353.db2.gz RGGHHWSGGXDHQG-JOCHJYFZSA-N -1 1 502.523 5.313 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000009124465 553212798 /nfs/dbraw/zinc/21/27/98/553212798.db2.gz CQGJLYZALSCQQT-CPJLOUKISA-N -1 1 512.587 5.725 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009124400 553212807 /nfs/dbraw/zinc/21/28/07/553212807.db2.gz NCJOJARWCHXDDD-LFPIHBKWSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009124400 553212809 /nfs/dbraw/zinc/21/28/09/553212809.db2.gz NCJOJARWCHXDDD-LFPIHBKWSA-N -1 1 516.550 5.550 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000009124625 553212989 /nfs/dbraw/zinc/21/29/89/553212989.db2.gz IYVQHWRGNQWVKH-BXKMTCNYSA-N -1 1 504.608 5.674 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009176337 553216063 /nfs/dbraw/zinc/21/60/63/553216063.db2.gz TXFSEBPFSDEFTO-DEOSSOPVSA-N -1 1 518.566 6.016 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009186468 553217461 /nfs/dbraw/zinc/21/74/61/553217461.db2.gz AQDSNEKBBIFEGK-QHCPKHFHSA-N -1 1 520.994 6.140 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2OC)cc1 ZINC000009234320 553224887 /nfs/dbraw/zinc/22/48/87/553224887.db2.gz NXRCHPFVROCBDH-RUZDIDTESA-N -1 1 514.603 6.103 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000009235627 553225441 /nfs/dbraw/zinc/22/54/41/553225441.db2.gz KJUCAXQWXAIMBW-LJQANCHMSA-N -1 1 511.353 5.443 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000009243100 553226903 /nfs/dbraw/zinc/22/69/03/553226903.db2.gz FVTAQPZBPDHCHS-QHCPKHFHSA-N -1 1 506.580 5.122 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(CC)cc2)nc1C ZINC000009270931 553230449 /nfs/dbraw/zinc/23/04/49/553230449.db2.gz NERHQMWLRVKWAK-JOCHJYFZSA-N -1 1 520.607 5.291 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009271256 553230668 /nfs/dbraw/zinc/23/06/68/553230668.db2.gz VUVUYPFJTZPUJK-JOCHJYFZSA-N -1 1 520.538 5.244 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000009272438 553231739 /nfs/dbraw/zinc/23/17/39/553231739.db2.gz CAKZGOZNTSINAR-FQEVSTJZSA-N -1 1 515.791 6.171 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000009272437 553231797 /nfs/dbraw/zinc/23/17/97/553231797.db2.gz CAKZGOZNTSINAR-HXUWFJFHSA-N -1 1 515.791 6.171 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000009272824 553231981 /nfs/dbraw/zinc/23/19/81/553231981.db2.gz ADXOVBWZKFDOBV-NRFANRHFSA-N -1 1 522.554 5.033 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000009273700 553232233 /nfs/dbraw/zinc/23/22/33/553232233.db2.gz VVJGRNLRKDNXGU-FQEVSTJZSA-N -1 1 509.381 6.052 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009280190 553233144 /nfs/dbraw/zinc/23/31/44/553233144.db2.gz MXFVZHLNHMYNNS-OAQYLSRUSA-N -1 1 505.483 5.135 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000009280259 553233150 /nfs/dbraw/zinc/23/31/50/553233150.db2.gz FDOBFKVFDRBCGI-LJQANCHMSA-N -1 1 513.344 5.882 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009292224 553234808 /nfs/dbraw/zinc/23/48/08/553234808.db2.gz IXMSPMNVOYHCLU-OYLFLEFRSA-N -1 1 516.619 5.884 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000009292580 553235132 /nfs/dbraw/zinc/23/51/32/553235132.db2.gz SERRJOYAMJLVNS-JBEBIEQOSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000009292580 553235133 /nfs/dbraw/zinc/23/51/33/553235133.db2.gz SERRJOYAMJLVNS-JBEBIEQOSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009292459 553235147 /nfs/dbraw/zinc/23/51/47/553235147.db2.gz QHENEMAXFPOTIF-LMKMVOKYSA-N -1 1 512.587 5.720 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000009308700 553237736 /nfs/dbraw/zinc/23/77/36/553237736.db2.gz OADZQRTUGGJEIW-OYLFLEFRSA-N -1 1 513.575 5.196 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000009308700 553237737 /nfs/dbraw/zinc/23/77/37/553237737.db2.gz OADZQRTUGGJEIW-OYLFLEFRSA-N -1 1 513.575 5.196 50 30 KKEAMM COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(F)cc2)c1 ZINC000009311187 553239291 /nfs/dbraw/zinc/23/92/91/553239291.db2.gz SAVRJAXDQDNWBI-WENCNXQZSA-N -1 1 514.553 5.600 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(O)cc2)o1 ZINC000009328429 553242049 /nfs/dbraw/zinc/24/20/49/553242049.db2.gz BNPMPRJDTDNFCB-FQEVSTJZSA-N -1 1 505.577 5.220 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009358008 553247197 /nfs/dbraw/zinc/24/71/97/553247197.db2.gz ZLMADZVKLURLTD-OYLFLEFRSA-N -1 1 500.551 5.850 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000009360117 553248146 /nfs/dbraw/zinc/24/81/46/553248146.db2.gz LXKXCRQYJLHYDN-PUAOIOHZSA-N -1 1 514.578 6.159 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000009373794 553250733 /nfs/dbraw/zinc/25/07/33/553250733.db2.gz PRLIEDLPRWOWBR-LAJNKCICSA-N -1 1 508.983 5.414 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000009374774 553250954 /nfs/dbraw/zinc/25/09/54/553250954.db2.gz DHHOLAKJHAMZFD-IVCQMTBJSA-N -1 1 514.578 6.159 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000009380748 553251973 /nfs/dbraw/zinc/25/19/73/553251973.db2.gz HBNVSWCYQDUNQB-SMSORMJASA-N -1 1 524.573 5.239 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000009424922 553259112 /nfs/dbraw/zinc/25/91/12/553259112.db2.gz ARDDOWVZCSVPSO-DEOSSOPVSA-N -1 1 515.566 5.656 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccccc3F)cc2)c1 ZINC000009461020 553267149 /nfs/dbraw/zinc/26/71/49/553267149.db2.gz UYOHKQUBWDAGAG-XMMPIXPASA-N -1 1 500.551 5.953 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009461421 553267562 /nfs/dbraw/zinc/26/75/62/553267562.db2.gz MVKRNUNAEWKDEA-RUZDIDTESA-N -1 1 514.603 6.185 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009470817 553269757 /nfs/dbraw/zinc/26/97/57/553269757.db2.gz JLVKKRSASBVANL-HSZRJFAPSA-N -1 1 502.523 5.298 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009470817 553269759 /nfs/dbraw/zinc/26/97/59/553269759.db2.gz JLVKKRSASBVANL-HSZRJFAPSA-N -1 1 502.523 5.298 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccs2)s1 ZINC000009540743 553277792 /nfs/dbraw/zinc/27/77/92/553277792.db2.gz NUFILCIFHNUTKG-QFIPXVFZSA-N -1 1 503.605 5.578 50 30 KKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009608882 553287777 /nfs/dbraw/zinc/28/77/77/553287777.db2.gz ZLHUVOVVWICFGW-OAQYLSRUSA-N -1 1 508.043 5.925 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000009994089 553324413 /nfs/dbraw/zinc/32/44/13/553324413.db2.gz KUXHZVGZUWOTPU-JOCHJYFZSA-N -1 1 518.591 5.203 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000012311286 553357152 /nfs/dbraw/zinc/35/71/52/553357152.db2.gz LSCJEUMKYIPMHH-NRFANRHFSA-N -1 1 522.554 5.033 50 30 KKEAMM COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nc(C)c(C(C)=O)s4)[C@@H]3c3ccc(F)cc3)oc21 ZINC000012533331 553387428 /nfs/dbraw/zinc/38/74/28/553387428.db2.gz SMIIICNCQCBFIY-HXUWFJFHSA-N -1 1 506.511 5.331 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000013552530 553470674 /nfs/dbraw/zinc/47/06/74/553470674.db2.gz YKVPOMIZWSEFAO-QFIPXVFZSA-N -1 1 506.605 5.720 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000013552530 553470676 /nfs/dbraw/zinc/47/06/76/553470676.db2.gz YKVPOMIZWSEFAO-QFIPXVFZSA-N -1 1 506.605 5.720 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013569209 553473579 /nfs/dbraw/zinc/47/35/79/553473579.db2.gz MZWBTXCFOAYNIM-DEOSSOPVSA-N -1 1 502.592 6.332 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013569209 553473582 /nfs/dbraw/zinc/47/35/82/553473582.db2.gz MZWBTXCFOAYNIM-DEOSSOPVSA-N -1 1 502.592 6.332 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000013570608 553473607 /nfs/dbraw/zinc/47/36/07/553473607.db2.gz HSICJYNNXGLUJQ-SANMLTNESA-N -1 1 512.631 6.737 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2)cc1 ZINC000016729535 553575944 /nfs/dbraw/zinc/57/59/44/553575944.db2.gz WDWSMSSKPVYKCP-NRFANRHFSA-N -1 1 506.580 5.200 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2)cc1 ZINC000016729535 553575945 /nfs/dbraw/zinc/57/59/45/553575945.db2.gz WDWSMSSKPVYKCP-NRFANRHFSA-N -1 1 506.580 5.200 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016729746 553575994 /nfs/dbraw/zinc/57/59/94/553575994.db2.gz UZUKVNSHNBZMPL-JOCHJYFZSA-N -1 1 504.608 5.743 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(OC)c2)nc1C ZINC000016730403 553576439 /nfs/dbraw/zinc/57/64/39/553576439.db2.gz BLQRDTNGJOYDJA-OAQYLSRUSA-N -1 1 522.554 5.033 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016732171 553577492 /nfs/dbraw/zinc/57/74/92/553577492.db2.gz GKYKXRIQYCHILN-LJQANCHMSA-N -1 1 517.390 5.752 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccncc4)[C@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000016736514 553579079 /nfs/dbraw/zinc/57/90/79/553579079.db2.gz ZIXOVIOHAYCLJK-AREMUKBSSA-N -1 1 527.646 6.516 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3nc4ccccc4s3)[C@H]2c2ccccc2)nc1C ZINC000016750585 553580708 /nfs/dbraw/zinc/58/07/08/553580708.db2.gz SRVGYQRMKLKEAP-LJQANCHMSA-N -1 1 517.588 5.187 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016805241 553582795 /nfs/dbraw/zinc/58/27/95/553582795.db2.gz ULTQXMVLTFUQKX-FQEVSTJZSA-N -1 1 518.422 6.115 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)cc1 ZINC000016805345 553582843 /nfs/dbraw/zinc/58/28/43/553582843.db2.gz FNUMHQAYRFWMKB-NRFANRHFSA-N -1 1 524.570 5.339 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c1[C@@H]2c1ccc(F)cc1 ZINC000017242281 553590964 /nfs/dbraw/zinc/59/09/64/553590964.db2.gz VPNRYUBQMKABNP-HXUWFJFHSA-N -1 1 506.559 5.722 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000017242436 553591279 /nfs/dbraw/zinc/59/12/79/553591279.db2.gz YFLXKOLPSHNDSI-QFIPXVFZSA-N -1 1 521.614 5.419 50 30 KKEAMM COc1cccc([C@@H]2c3c(=O)[n-]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000020133657 553592353 /nfs/dbraw/zinc/59/23/53/553592353.db2.gz ZMMMMBBWOYVPTB-NRFANRHFSA-N -1 1 518.595 5.592 50 30 KKEAMM COc1ccccc1[C@@H]1c2c(=O)[n-]c(SCc3ccc(C)cc3C)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000020134293 553592544 /nfs/dbraw/zinc/59/25/44/553592544.db2.gz BZBCUCFFWSLWTI-QHCPKHFHSA-N -1 1 501.652 5.888 50 30 KKEAMM O=[N+]([O-])c1ccc([N-]c2nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000095100403 553698994 /nfs/dbraw/zinc/69/89/94/553698994.db2.gz NTBUAJUAUPVZRX-UHFFFAOYSA-N -1 1 653.224 7.373 50 30 KKEAMM CCCCCCCCCCCCCCCCCCOc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000097950608 553805050 /nfs/dbraw/zinc/80/50/50/553805050.db2.gz UWZJOCBIODPHQJ-UHFFFAOYSA-N -1 1 531.781 10.438 50 30 KKEAMM CCCCCCCCn1c2ccccc2nc1NCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000097951290 553808115 /nfs/dbraw/zinc/80/81/15/553808115.db2.gz VAMOMITZODBMKI-UHFFFAOYSA-N -1 1 504.700 7.118 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097951813 553811490 /nfs/dbraw/zinc/81/14/90/553811490.db2.gz ABDULZNRKDORAP-JOCHJYFZSA-N -1 1 519.420 6.459 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097952284 553814522 /nfs/dbraw/zinc/81/45/22/553814522.db2.gz LHKBRLFQZACPHF-QFIPXVFZSA-N -1 1 519.420 6.404 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000097952289 553814703 /nfs/dbraw/zinc/81/47/03/553814703.db2.gz OXRWTTSEIGGIOL-RUZDIDTESA-N -1 1 540.597 5.600 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000097952286 553814813 /nfs/dbraw/zinc/81/48/13/553814813.db2.gz BLKJVNYTSRDRDJ-SANMLTNESA-N -1 1 544.629 6.058 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000097952522 553816305 /nfs/dbraw/zinc/81/63/05/553816305.db2.gz OUHYDTKCLCJREC-HHHXNRCGSA-N -1 1 542.657 6.828 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(CC)cc3)sc2c1 ZINC000097953076 553819058 /nfs/dbraw/zinc/81/90/58/553819058.db2.gz RHWRTWVGDUFXGD-SANMLTNESA-N -1 1 542.613 5.812 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000097953067 553819108 /nfs/dbraw/zinc/81/91/08/553819108.db2.gz AQRHPFGCYONOMP-VWLOTQADSA-N -1 1 544.585 5.258 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000097953067 553819112 /nfs/dbraw/zinc/81/91/12/553819112.db2.gz AQRHPFGCYONOMP-VWLOTQADSA-N -1 1 544.585 5.258 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000097954693 553824660 /nfs/dbraw/zinc/82/46/60/553824660.db2.gz BXFNEQMPROENDU-HHHXNRCGSA-N -1 1 534.609 5.988 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097954999 553827132 /nfs/dbraw/zinc/82/71/32/553827132.db2.gz ZSTPJSPASHUBDN-OYLFLEFRSA-N -1 1 532.618 5.549 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955024 553827505 /nfs/dbraw/zinc/82/75/05/553827505.db2.gz HXKXCGDYAOBFQG-QMTYFTJSSA-N -1 1 545.060 7.179 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097955040 553828014 /nfs/dbraw/zinc/82/80/14/553828014.db2.gz KFSUTYYSYOISJL-CPJLOUKISA-N -1 1 546.645 5.939 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000097955096 553828303 /nfs/dbraw/zinc/82/83/03/553828303.db2.gz MUOTXTXHMXSLDV-SGANQWHYSA-N -1 1 528.586 5.507 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000097955095 553828336 /nfs/dbraw/zinc/82/83/36/553828336.db2.gz MUOTXTXHMXSLDV-ODCWNRFASA-N -1 1 528.586 5.507 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097955085 553828368 /nfs/dbraw/zinc/82/83/68/553828368.db2.gz IOMDXLIZGUSVTP-XGCWNURASA-N -1 1 540.641 6.535 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097955114 553828674 /nfs/dbraw/zinc/82/86/74/553828674.db2.gz IZJZSYDKKSZKQN-DXPJPUQTSA-N -1 1 542.632 6.839 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955123 553828784 /nfs/dbraw/zinc/82/87/84/553828784.db2.gz XGMGPSDZBMMGRY-AKJBCIBTSA-N -1 1 542.613 5.734 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000097955146 553829188 /nfs/dbraw/zinc/82/91/88/553829188.db2.gz PKIBAAPQKOEGNY-ZAMGYDSWSA-N -1 1 520.969 6.195 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097955232 553830311 /nfs/dbraw/zinc/83/03/11/553830311.db2.gz REEXOHVOGRQKHE-GSTQUKTASA-N -1 1 648.737 7.389 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955259 553830376 /nfs/dbraw/zinc/83/03/76/553830376.db2.gz FSWZYYONRZLUSZ-XRHLQHRESA-N -1 1 538.625 6.276 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097955262 553830487 /nfs/dbraw/zinc/83/04/87/553830487.db2.gz UPODBMJPAIOXNH-ZAMGYDSWSA-N -1 1 547.976 5.964 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000097955588 553831502 /nfs/dbraw/zinc/83/15/02/553831502.db2.gz OBWWPUGFELGZCX-DXPJPUQTSA-N -1 1 542.613 5.810 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000027529810 553831545 /nfs/dbraw/zinc/83/15/45/553831545.db2.gz RZABXKTUVMYLIN-WNSKOXEYSA-N -1 1 505.596 5.132 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000027529810 553831547 /nfs/dbraw/zinc/83/15/47/553831547.db2.gz RZABXKTUVMYLIN-WNSKOXEYSA-N -1 1 505.596 5.132 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097955590 553831633 /nfs/dbraw/zinc/83/16/33/553831633.db2.gz QQCDUDFYYCPZCB-VWLOTQADSA-N -1 1 606.653 5.146 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000097955601 553831640 /nfs/dbraw/zinc/83/16/40/553831640.db2.gz HHSAHDPRDVBNNE-IQMFZBJNSA-N -1 1 548.617 5.133 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000097955601 553831645 /nfs/dbraw/zinc/83/16/45/553831645.db2.gz HHSAHDPRDVBNNE-IQMFZBJNSA-N -1 1 548.617 5.133 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097955629 553832067 /nfs/dbraw/zinc/83/20/67/553832067.db2.gz ATCIFEOOTWDWKI-PKHCJMHPSA-N -1 1 604.684 6.990 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097955687 553832681 /nfs/dbraw/zinc/83/26/81/553832681.db2.gz PYEUIRYLLVTZGS-MYYSRTQBSA-N -1 1 527.558 5.619 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955681 553832693 /nfs/dbraw/zinc/83/26/93/553832693.db2.gz OXBUWBPABFFGEW-MYUZEXMDSA-N -1 1 540.641 6.500 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955680 553832702 /nfs/dbraw/zinc/83/27/02/553832702.db2.gz OXBUWBPABFFGEW-XRHLQHRESA-N -1 1 540.641 6.500 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955691 553832714 /nfs/dbraw/zinc/83/27/14/553832714.db2.gz LBSUXIAXGXSGIQ-SGANQWHYSA-N -1 1 531.033 6.618 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097955693 553832853 /nfs/dbraw/zinc/83/28/53/553832853.db2.gz AIEXQUWTZBIGOD-WNSKOXEYSA-N -1 1 532.618 5.468 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097955728 553833105 /nfs/dbraw/zinc/83/31/05/553833105.db2.gz RAGZBCVUFQDARK-WEZXKFLESA-N -1 1 636.701 7.519 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097955728 553833107 /nfs/dbraw/zinc/83/31/07/553833107.db2.gz RAGZBCVUFQDARK-WEZXKFLESA-N -1 1 636.701 7.519 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097955715 553833177 /nfs/dbraw/zinc/83/31/77/553833177.db2.gz XHABPQRVFHKLBF-ADSBAMQRSA-N -1 1 592.648 7.121 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097955715 553833179 /nfs/dbraw/zinc/83/31/79/553833179.db2.gz XHABPQRVFHKLBF-ADSBAMQRSA-N -1 1 592.648 7.121 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097955713 553833183 /nfs/dbraw/zinc/83/31/83/553833183.db2.gz XHABPQRVFHKLBF-HZAQMHFWSA-N -1 1 592.648 7.121 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097955713 553833184 /nfs/dbraw/zinc/83/31/84/553833184.db2.gz XHABPQRVFHKLBF-HZAQMHFWSA-N -1 1 592.648 7.121 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955718 553833217 /nfs/dbraw/zinc/83/32/17/553833217.db2.gz CUFKJRYYJSMKSC-XRHLQHRESA-N -1 1 540.641 6.500 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000097955749 553833630 /nfs/dbraw/zinc/83/36/30/553833630.db2.gz VCIJWGKXDIGZOC-CPJLOUKISA-N -1 1 541.585 5.928 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000097955820 553834141 /nfs/dbraw/zinc/83/41/41/553834141.db2.gz AEUUSYFXXRZTGH-SANMLTNESA-N -1 1 526.614 6.212 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097956227 553836978 /nfs/dbraw/zinc/83/69/78/553836978.db2.gz LQCARSUPQNCQIE-ZAMGYDSWSA-N -1 1 531.521 5.450 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097956554 553839426 /nfs/dbraw/zinc/83/94/26/553839426.db2.gz FXSFLJYGLYTHIK-AKJBCIBTSA-N -1 1 542.588 6.107 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097956554 553839427 /nfs/dbraw/zinc/83/94/27/553839427.db2.gz FXSFLJYGLYTHIK-AKJBCIBTSA-N -1 1 542.588 6.107 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000097956785 553841724 /nfs/dbraw/zinc/84/17/24/553841724.db2.gz YXIRIQHEFPVOIJ-FQEVSTJZSA-N -1 1 561.443 6.035 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000097956824 553842155 /nfs/dbraw/zinc/84/21/55/553842155.db2.gz VETQKCVQEQHDMR-HXUWFJFHSA-N -1 1 526.998 5.382 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000097956853 553842633 /nfs/dbraw/zinc/84/26/33/553842633.db2.gz AUSBMIBQPFLGCQ-QHCPKHFHSA-N -1 1 532.618 5.457 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000097956864 553842742 /nfs/dbraw/zinc/84/27/42/553842742.db2.gz PLXPISICNHCOHE-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000097956864 553842743 /nfs/dbraw/zinc/84/27/43/553842743.db2.gz PLXPISICNHCOHE-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097956890 553842943 /nfs/dbraw/zinc/84/29/43/553842943.db2.gz GWDNUFPNEWQWOF-DEOSSOPVSA-N -1 1 578.643 5.302 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000097956880 553842947 /nfs/dbraw/zinc/84/29/47/553842947.db2.gz KOTKKWBOEHDFQG-NDEPHWFRSA-N -1 1 594.689 6.773 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCC=C)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097956881 553843005 /nfs/dbraw/zinc/84/30/05/553843005.db2.gz SFHUZFFOARXPEK-XMMPIXPASA-N -1 1 560.628 5.459 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097956881 553843007 /nfs/dbraw/zinc/84/30/07/553843007.db2.gz SFHUZFFOARXPEK-XMMPIXPASA-N -1 1 560.628 5.459 50 30 KKEAMM COc1ccc(C=NN=c2nc(NN=Cc3cccc(OC)c3OC)nc(N(c3ccccc3)c3ccccc3)[n-]2)c(OC)c1 ZINC000097958869 553858313 /nfs/dbraw/zinc/85/83/13/553858313.db2.gz RGMKFRDXCVJQFW-VANQDGIVSA-N -1 1 604.671 6.268 50 30 KKEAMM CCOc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000097960011 553867696 /nfs/dbraw/zinc/86/76/96/553867696.db2.gz IHWWJMMQPYLNCC-XIFFEERXSA-N -1 1 603.115 7.326 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097966971 553912406 /nfs/dbraw/zinc/91/24/06/553912406.db2.gz GPPBZDNWKZOYSY-HKBQPEDESA-N -1 1 646.721 7.701 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097966983 553912744 /nfs/dbraw/zinc/91/27/44/553912744.db2.gz GULCBQLIWBGTFN-MUUNZHRXSA-N -1 1 628.703 6.316 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097967292 553916318 /nfs/dbraw/zinc/91/63/18/553916318.db2.gz ARSPPJOWCMRPOE-MYUZEXMDSA-N -1 1 596.661 5.923 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097967292 553916324 /nfs/dbraw/zinc/91/63/24/553916324.db2.gz ARSPPJOWCMRPOE-MYUZEXMDSA-N -1 1 596.661 5.923 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097967340 553917218 /nfs/dbraw/zinc/91/72/18/553917218.db2.gz QFFHWUHQLOITMN-SSEXGKCCSA-N -1 1 654.741 6.872 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097967355 553917306 /nfs/dbraw/zinc/91/73/06/553917306.db2.gz UDSGTUDCCRWRIG-QHCPKHFHSA-N -1 1 553.423 6.466 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097967453 553918374 /nfs/dbraw/zinc/91/83/74/553918374.db2.gz AUVUHUUSWSYYMU-KEEVHDRGSA-N -1 1 598.721 7.226 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967440 553918529 /nfs/dbraw/zinc/91/85/29/553918529.db2.gz MDEUDPYMMFEUJI-XBBWARJSSA-N -1 1 582.678 6.675 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097967434 553918569 /nfs/dbraw/zinc/91/85/69/553918569.db2.gz MZRQUZTYOOVBHV-SXBQZSJRSA-N -1 1 637.508 6.278 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000097967498 553919345 /nfs/dbraw/zinc/91/93/45/553919345.db2.gz AHTBQTNYGQAKDN-CHJDUVSTSA-N -1 1 641.815 7.670 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967540 553919812 /nfs/dbraw/zinc/91/98/12/553919812.db2.gz HISILXPXQOTWLV-WRGVRERRSA-N -1 1 692.259 8.168 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097967556 553920252 /nfs/dbraw/zinc/92/02/52/553920252.db2.gz OTNJAPKMFWJVKA-OWJWWREXSA-N -1 1 610.544 7.244 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967603 553920503 /nfs/dbraw/zinc/92/05/03/553920503.db2.gz UBDJPFNAJVDIDI-AFJIDDCJSA-N -1 1 662.233 8.015 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097967594 553920572 /nfs/dbraw/zinc/92/05/72/553920572.db2.gz BYNRMFCXOGZJQI-AREMUKBSSA-N -1 1 620.680 5.536 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967601 553920593 /nfs/dbraw/zinc/92/05/93/553920593.db2.gz UBDJPFNAJVDIDI-WRONEBCDSA-N -1 1 662.233 8.015 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967599 553920628 /nfs/dbraw/zinc/92/06/28/553920628.db2.gz LMJKMAVCZXWNGS-QJWGWKRISA-N -1 1 628.747 7.379 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967629 553920971 /nfs/dbraw/zinc/92/09/71/553920971.db2.gz GZUVFJHDXVOIRK-CHJDUVSTSA-N -1 1 641.815 7.814 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967628 553921050 /nfs/dbraw/zinc/92/10/50/553921050.db2.gz GZUVFJHDXVOIRK-SMSORMJASA-N -1 1 641.815 7.814 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097967646 553921313 /nfs/dbraw/zinc/92/13/13/553921313.db2.gz GQDBYZUWOKBZJV-QUGAMOGWSA-N -1 1 604.681 5.698 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097967646 553921314 /nfs/dbraw/zinc/92/13/14/553921314.db2.gz GQDBYZUWOKBZJV-QUGAMOGWSA-N -1 1 604.681 5.698 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097967643 553921378 /nfs/dbraw/zinc/92/13/78/553921378.db2.gz GQDBYZUWOKBZJV-MRDQGFSESA-N -1 1 604.681 5.698 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097967643 553921379 /nfs/dbraw/zinc/92/13/79/553921379.db2.gz GQDBYZUWOKBZJV-MRDQGFSESA-N -1 1 604.681 5.698 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000097967700 553921781 /nfs/dbraw/zinc/92/17/81/553921781.db2.gz ZQVMHQJFPSCQQG-SOKVYYICSA-N -1 1 586.666 6.045 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000097967691 553921928 /nfs/dbraw/zinc/92/19/28/553921928.db2.gz DHPUARWSFKWTAH-WRAWZCCESA-N -1 1 741.891 9.068 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967716 553922120 /nfs/dbraw/zinc/92/21/20/553922120.db2.gz IVAWWMRPLKQKHB-XGCWNURASA-N -1 1 569.639 5.540 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097967707 553922373 /nfs/dbraw/zinc/92/23/73/553922373.db2.gz PRBVFMHGQPRHFO-HHHXNRCGSA-N -1 1 614.676 5.926 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097967765 553922729 /nfs/dbraw/zinc/92/27/29/553922729.db2.gz QWTKHTQEXANXAI-SLQAJWMNSA-N -1 1 640.714 6.322 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097967765 553922732 /nfs/dbraw/zinc/92/27/32/553922732.db2.gz QWTKHTQEXANXAI-SLQAJWMNSA-N -1 1 640.714 6.322 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097967782 553922965 /nfs/dbraw/zinc/92/29/65/553922965.db2.gz ANYVRNIVOJHQBM-JXNPFXPLSA-N -1 1 662.764 7.779 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097967793 553922974 /nfs/dbraw/zinc/92/29/74/553922974.db2.gz JVOMOFAFLLPYSH-JPZYQRIQSA-N -1 1 671.841 7.904 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967813 553923520 /nfs/dbraw/zinc/92/35/20/553923520.db2.gz NJEQMFHQUVQSEO-RBSBEOHCSA-N -1 1 619.139 7.490 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000097967824 553923618 /nfs/dbraw/zinc/92/36/18/553923618.db2.gz TYNPTQDHOILHJX-PMERELPUSA-N -1 1 691.803 7.347 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097967807 553923637 /nfs/dbraw/zinc/92/36/37/553923637.db2.gz XMVWXBCFYBTIFF-WRGVRERRSA-N -1 1 675.804 7.653 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967818 553923682 /nfs/dbraw/zinc/92/36/82/553923682.db2.gz XQBAFDRHSSGQHK-PKHCJMHPSA-N -1 1 604.684 6.990 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097967857 553923917 /nfs/dbraw/zinc/92/39/17/553923917.db2.gz USAFZBKKCNZUCZ-MUUNZHRXSA-N -1 1 629.760 6.809 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097967830 553924061 /nfs/dbraw/zinc/92/40/61/553924061.db2.gz IDQIMHRJIATBES-IZHWHUGBSA-N -1 1 577.634 6.215 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000097967834 553924179 /nfs/dbraw/zinc/92/41/79/553924179.db2.gz RDIAFZGCJPLFEW-QJWGWKRISA-N -1 1 740.731 9.067 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097967859 553924594 /nfs/dbraw/zinc/92/45/94/553924594.db2.gz AHRCKSDGYOWKSB-SSEXGKCCSA-N -1 1 718.640 8.270 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097967860 553924601 /nfs/dbraw/zinc/92/46/01/553924601.db2.gz AHRCKSDGYOWKSB-PMERELPUSA-N -1 1 718.640 8.270 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097967891 553924930 /nfs/dbraw/zinc/92/49/30/553924930.db2.gz RHXPHZLYLMAJNT-NDEPHWFRSA-N -1 1 643.743 6.348 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967932 553925298 /nfs/dbraw/zinc/92/52/98/553925298.db2.gz VIIZTXBUECPLDR-AREMUKBSSA-N -1 1 634.135 6.603 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097967937 553925362 /nfs/dbraw/zinc/92/53/62/553925362.db2.gz AFOXEIVBKBJSFA-IVCQMTBJSA-N -1 1 589.670 6.084 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097967979 553925689 /nfs/dbraw/zinc/92/56/89/553925689.db2.gz BPKNZSOEMHGBBX-CBZJRKILSA-N -1 1 558.631 6.721 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097967979 553925691 /nfs/dbraw/zinc/92/56/91/553925691.db2.gz BPKNZSOEMHGBBX-CBZJRKILSA-N -1 1 558.631 6.721 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000097967977 553925823 /nfs/dbraw/zinc/92/58/23/553925823.db2.gz OTYBYXGVVCOPAN-LJAQVGFWSA-N -1 1 643.787 7.118 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097967970 553925844 /nfs/dbraw/zinc/92/58/44/553925844.db2.gz REMPVJBLESSQJG-MUUNZHRXSA-N -1 1 651.722 6.324 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967986 553926073 /nfs/dbraw/zinc/92/60/73/553926073.db2.gz VGQJLTLQXBEQBN-UMSFTDKQSA-N -1 1 723.873 8.505 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)s2)cc1 ZINC000097968029 553926577 /nfs/dbraw/zinc/92/65/77/553926577.db2.gz DQTFQRBYERFOAM-XMMPIXPASA-N -1 1 575.643 5.832 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000097968052 553926911 /nfs/dbraw/zinc/92/69/11/553926911.db2.gz HVDCKJJKOIRYKE-HSZRJFAPSA-N -1 1 559.625 5.090 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097968066 553927174 /nfs/dbraw/zinc/92/71/74/553927174.db2.gz GXCYNRVWAYZCIF-XMMPIXPASA-N -1 1 608.097 6.047 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968100 553927390 /nfs/dbraw/zinc/92/73/90/553927390.db2.gz OTKPZZZXNIVTLW-RUZDIDTESA-N -1 1 622.124 6.437 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968082 553927399 /nfs/dbraw/zinc/92/73/99/553927399.db2.gz UKHGXKHOUXSLLH-AREMUKBSSA-N -1 1 601.706 6.173 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968091 553927542 /nfs/dbraw/zinc/92/75/42/553927542.db2.gz CXOKLTNIJWSDPI-ADXZGYQBSA-N -1 1 696.678 8.668 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968089 553927552 /nfs/dbraw/zinc/92/75/52/553927552.db2.gz CXOKLTNIJWSDPI-SLQAJWMNSA-N -1 1 696.678 8.668 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097968160 553928457 /nfs/dbraw/zinc/92/84/57/553928457.db2.gz WKWRSWGKHUOIBH-WGDIFIGCSA-N -1 1 560.672 6.329 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097968172 553928872 /nfs/dbraw/zinc/92/88/72/553928872.db2.gz ROFNPUQUWZLHPA-SSEXGKCCSA-N -1 1 684.195 7.617 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968226 553929249 /nfs/dbraw/zinc/92/92/49/553929249.db2.gz SKHLCEVCIHEOGY-CBZJRKILSA-N -1 1 668.624 8.032 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097968238 553929538 /nfs/dbraw/zinc/92/95/38/553929538.db2.gz NHTVTTIVFVBWIL-OYLFLEFRSA-N -1 1 594.089 6.729 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097968261 553929553 /nfs/dbraw/zinc/92/95/53/553929553.db2.gz NAYYPMLARVEMPN-NDEPHWFRSA-N -1 1 680.204 7.225 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968247 553929614 /nfs/dbraw/zinc/92/96/14/553929614.db2.gz HSSNVYQIVZIREF-LJAQVGFWSA-N -1 1 677.776 7.101 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000097968258 553929620 /nfs/dbraw/zinc/92/96/20/553929620.db2.gz HMHRHUWNNALJLP-JGCGQSQUSA-N -1 1 728.248 8.016 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097968256 553929648 /nfs/dbraw/zinc/92/96/48/553929648.db2.gz XPGYFAPVCSPEMB-SSEXGKCCSA-N -1 1 684.195 7.617 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968262 553929947 /nfs/dbraw/zinc/92/99/47/553929947.db2.gz VIEDCSWBTLPXKG-HHHXNRCGSA-N -1 1 700.622 7.489 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968282 553929963 /nfs/dbraw/zinc/92/99/63/553929963.db2.gz HSFXQUUUUVSLAU-NDEPHWFRSA-N -1 1 647.750 6.949 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968294 553930299 /nfs/dbraw/zinc/93/02/99/553930299.db2.gz KTIMJXXFBLDIER-SANMLTNESA-N -1 1 634.135 6.603 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097968302 553930320 /nfs/dbraw/zinc/93/03/20/553930320.db2.gz XRCQEQOVTRJSGM-WWOZWPLTSA-N -1 1 616.711 7.365 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097968302 553930323 /nfs/dbraw/zinc/93/03/23/553930323.db2.gz XRCQEQOVTRJSGM-WWOZWPLTSA-N -1 1 616.711 7.365 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968344 553930678 /nfs/dbraw/zinc/93/06/78/553930678.db2.gz NWZZYWMHXVDASL-MHZLTWQESA-N -1 1 615.733 6.563 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000097968327 553930710 /nfs/dbraw/zinc/93/07/10/553930710.db2.gz NSGKPDXQAUPSFC-HSZRJFAPSA-N -1 1 594.070 5.744 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000097968352 553930777 /nfs/dbraw/zinc/93/07/77/553930777.db2.gz PCNKJAZIVDQLJD-OWJWWREXSA-N -1 1 575.643 5.781 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968348 553930902 /nfs/dbraw/zinc/93/09/02/553930902.db2.gz QMZDGQSIGVMSPD-CBZJRKILSA-N -1 1 554.624 5.976 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097968382 553931348 /nfs/dbraw/zinc/93/13/48/553931348.db2.gz OLDFETPQTWZVCQ-GEFUHLBYSA-N -1 1 716.668 8.823 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968414 553931913 /nfs/dbraw/zinc/93/19/13/553931913.db2.gz UVXSQHQKPUNBDZ-HHHXNRCGSA-N -1 1 631.732 6.182 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097968408 553931931 /nfs/dbraw/zinc/93/19/31/553931931.db2.gz IRGHKHAFJWDBIW-XMMPIXPASA-N -1 1 642.542 6.700 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968410 553931995 /nfs/dbraw/zinc/93/19/95/553931995.db2.gz QACARLVBDWEHHK-AREMUKBSSA-N -1 1 636.151 6.827 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097968391 553932010 /nfs/dbraw/zinc/93/20/10/553932010.db2.gz ZFDHVNXXVPOGMI-WRHNGFHOSA-N -1 1 609.704 7.229 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968415 553932473 /nfs/dbraw/zinc/93/24/73/553932473.db2.gz UVXSQHQKPUNBDZ-MHZLTWQESA-N -1 1 631.732 6.182 50 30 KKEAMM CCCCCCCCCCn1c([O-])c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(=O)c2ccccc21 ZINC000097969064 553936218 /nfs/dbraw/zinc/93/62/18/553936218.db2.gz CLVGOYTWQDGSFZ-UHFFFAOYSA-N -1 1 561.792 8.024 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969138 553936839 /nfs/dbraw/zinc/93/68/39/553936839.db2.gz YGFQPUVYTGIHNR-MRDQGFSESA-N -1 1 603.697 6.475 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000097969166 553937481 /nfs/dbraw/zinc/93/74/81/553937481.db2.gz LVGMFGYIHJAUCX-GKVSMKOHSA-N -1 1 574.655 5.689 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000097969166 553937484 /nfs/dbraw/zinc/93/74/84/553937484.db2.gz LVGMFGYIHJAUCX-GKVSMKOHSA-N -1 1 574.655 5.689 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097969160 553937517 /nfs/dbraw/zinc/93/75/17/553937517.db2.gz VHZWXNNUDXQQAB-SHACYNPGSA-N -1 1 551.451 7.018 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969180 553937538 /nfs/dbraw/zinc/93/75/38/553937538.db2.gz DZOSDCCNZQUXFW-WXTAPIANSA-N -1 1 590.698 6.159 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969180 553937540 /nfs/dbraw/zinc/93/75/40/553937540.db2.gz DZOSDCCNZQUXFW-WXTAPIANSA-N -1 1 590.698 6.159 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969193 553937778 /nfs/dbraw/zinc/93/77/78/553937778.db2.gz NUSWFWKZBZNRLE-ACSYHNTCSA-N -1 1 662.233 8.159 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000097969195 553937949 /nfs/dbraw/zinc/93/79/49/553937949.db2.gz NHCBURMNTGGNEM-QFIPXVFZSA-N -1 1 555.052 6.162 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969221 553938375 /nfs/dbraw/zinc/93/83/75/553938375.db2.gz QXRKLODPIHWLMY-OQRWROFFSA-N -1 1 591.085 6.853 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969221 553938378 /nfs/dbraw/zinc/93/83/78/553938378.db2.gz QXRKLODPIHWLMY-OQRWROFFSA-N -1 1 591.085 6.853 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969242 553938398 /nfs/dbraw/zinc/93/83/98/553938398.db2.gz LIFASENJOXSXRD-MUUNZHRXSA-N -1 1 621.111 7.081 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969235 553938426 /nfs/dbraw/zinc/93/84/26/553938426.db2.gz DQYIJPVUNOQTFJ-LMKMVOKYSA-N -1 1 634.135 6.377 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097969248 553938676 /nfs/dbraw/zinc/93/86/76/553938676.db2.gz ZBUKCLLNIIMZIB-GYCJOSAFSA-N -1 1 576.099 6.590 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969264 553938781 /nfs/dbraw/zinc/93/87/81/553938781.db2.gz FLXMOMVRKGMXGF-ONOMSOESSA-N -1 1 627.788 7.506 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969339 553939688 /nfs/dbraw/zinc/93/96/88/553939688.db2.gz WHQXNSFCKMKFMA-UZTOHYMASA-N -1 1 597.718 6.502 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097969316 553939753 /nfs/dbraw/zinc/93/97/53/553939753.db2.gz YUAOKSKFRFCXMM-RBSBEOHCSA-N -1 1 600.693 6.599 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000097969360 553940061 /nfs/dbraw/zinc/94/00/61/553940061.db2.gz VUOXJNAFLMSOLU-ZLOXQWCVSA-N -1 1 581.875 6.819 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969603 553942926 /nfs/dbraw/zinc/94/29/26/553942926.db2.gz OBKNOLUIEOMLTL-UZTOHYMASA-N -1 1 602.709 6.326 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969603 553942928 /nfs/dbraw/zinc/94/29/28/553942928.db2.gz OBKNOLUIEOMLTL-UZTOHYMASA-N -1 1 602.709 6.326 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969606 553942967 /nfs/dbraw/zinc/94/29/67/553942967.db2.gz OBKNOLUIEOMLTL-WINIVTDRSA-N -1 1 602.709 6.326 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969606 553942968 /nfs/dbraw/zinc/94/29/68/553942968.db2.gz OBKNOLUIEOMLTL-WINIVTDRSA-N -1 1 602.709 6.326 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969649 553943456 /nfs/dbraw/zinc/94/34/56/553943456.db2.gz VLCALTNROZAOOJ-CPJLOUKISA-N -1 1 606.125 6.599 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969654 553943475 /nfs/dbraw/zinc/94/34/75/553943475.db2.gz PFNATTCVDSWBML-WENCNXQZSA-N -1 1 596.705 6.983 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097969739 553944218 /nfs/dbraw/zinc/94/42/18/553944218.db2.gz IMYHRWMRZRXYRP-SANMLTNESA-N -1 1 577.058 6.683 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097969787 553945095 /nfs/dbraw/zinc/94/50/95/553945095.db2.gz QBRQTJXJXWANIU-NHOCJEJCSA-N -1 1 646.765 7.997 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969822 553945537 /nfs/dbraw/zinc/94/55/37/553945537.db2.gz CTEFDNGIPHSPPD-LBEKAKSKSA-N -1 1 600.693 6.599 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969822 553945541 /nfs/dbraw/zinc/94/55/41/553945541.db2.gz CTEFDNGIPHSPPD-LBEKAKSKSA-N -1 1 600.693 6.599 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097969852 553945850 /nfs/dbraw/zinc/94/58/50/553945850.db2.gz PZDCVIWSIFGELU-HZAQMHFWSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097969852 553945854 /nfs/dbraw/zinc/94/58/54/553945854.db2.gz PZDCVIWSIFGELU-HZAQMHFWSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969896 553946358 /nfs/dbraw/zinc/94/63/58/553946358.db2.gz PXQLJGLLPHLVNG-JYRCXFKTSA-N -1 1 605.112 7.244 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000097969888 553946452 /nfs/dbraw/zinc/94/64/52/553946452.db2.gz CQFCLHSSESUYOL-JCOAXYOVSA-N -1 1 689.831 7.899 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097969924 553946875 /nfs/dbraw/zinc/94/68/75/553946875.db2.gz FGLZXLOMFNFYIO-WJOKGBTCSA-N -1 1 655.128 7.482 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097969935 553947230 /nfs/dbraw/zinc/94/72/30/553947230.db2.gz QPJGNPJEKWYLAM-CPJLOUKISA-N -1 1 617.680 5.862 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969956 553947235 /nfs/dbraw/zinc/94/72/35/553947235.db2.gz YGJCBRPRXSFJQS-NDEPHWFRSA-N -1 1 570.667 6.584 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000097969946 553947282 /nfs/dbraw/zinc/94/72/82/553947282.db2.gz GYCCKGAWHAJPDB-AKJBCIBTSA-N -1 1 570.623 5.588 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000097969946 553947284 /nfs/dbraw/zinc/94/72/84/553947284.db2.gz GYCCKGAWHAJPDB-AKJBCIBTSA-N -1 1 570.623 5.588 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969986 553947698 /nfs/dbraw/zinc/94/76/98/553947698.db2.gz QYCCUQNGZKWEFR-KTBRYMIGSA-N -1 1 642.774 7.769 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969989 553947721 /nfs/dbraw/zinc/94/77/21/553947721.db2.gz WKRXHEUEUFIBGL-HZAQMHFWSA-N -1 1 614.720 6.845 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969989 553947724 /nfs/dbraw/zinc/94/77/24/553947724.db2.gz WKRXHEUEUFIBGL-HZAQMHFWSA-N -1 1 614.720 6.845 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969982 553947729 /nfs/dbraw/zinc/94/77/29/553947729.db2.gz RCOBNQPAPRVFCU-LJAQVGFWSA-N -1 1 616.692 6.293 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969990 553947786 /nfs/dbraw/zinc/94/77/86/553947786.db2.gz WKRXHEUEUFIBGL-WWOZWPLTSA-N -1 1 614.720 6.845 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969990 553947788 /nfs/dbraw/zinc/94/77/88/553947788.db2.gz WKRXHEUEUFIBGL-WWOZWPLTSA-N -1 1 614.720 6.845 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097969963 553947806 /nfs/dbraw/zinc/94/78/06/553947806.db2.gz XYXOGNMJLCCZBV-WRHNGFHOSA-N -1 1 580.662 6.339 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097969963 553947808 /nfs/dbraw/zinc/94/78/08/553947808.db2.gz XYXOGNMJLCCZBV-WRHNGFHOSA-N -1 1 580.662 6.339 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970038 553948417 /nfs/dbraw/zinc/94/84/17/553948417.db2.gz WMQTYBYLZGXGMK-AKJBCIBTSA-N -1 1 574.655 5.724 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970038 553948420 /nfs/dbraw/zinc/94/84/20/553948420.db2.gz WMQTYBYLZGXGMK-AKJBCIBTSA-N -1 1 574.655 5.724 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000097970025 553948444 /nfs/dbraw/zinc/94/84/44/553948444.db2.gz HDDYFAXHNWBCIC-IVCQMTBJSA-N -1 1 575.484 6.782 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970051 553948532 /nfs/dbraw/zinc/94/85/32/553948532.db2.gz MIZNNHGNNNFTBP-KEEVHDRGSA-N -1 1 598.721 7.370 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000097970053 553948728 /nfs/dbraw/zinc/94/87/28/553948728.db2.gz PYXPWTNMGLEOJT-KATKFWMUSA-N -1 1 726.276 8.568 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970069 553949002 /nfs/dbraw/zinc/94/90/02/553949002.db2.gz SBZKPZYBOOEQJZ-RUZDIDTESA-N -1 1 592.670 5.751 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097970061 553949008 /nfs/dbraw/zinc/94/90/08/553949008.db2.gz NNCXIDOEKGINQL-DWXRJYCRSA-N -1 1 613.717 6.032 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000097970055 553949130 /nfs/dbraw/zinc/94/91/30/553949130.db2.gz PYXPWTNMGLEOJT-NBLPZQPVSA-N -1 1 726.276 8.568 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970087 553949491 /nfs/dbraw/zinc/94/94/91/553949491.db2.gz ZNGDINUGIZESKQ-SLQAJWMNSA-N -1 1 649.750 6.877 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970107 553949496 /nfs/dbraw/zinc/94/94/96/553949496.db2.gz BWIBUNQXSIOJBN-MUUNZHRXSA-N -1 1 586.666 6.428 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970107 553949499 /nfs/dbraw/zinc/94/94/99/553949499.db2.gz BWIBUNQXSIOJBN-MUUNZHRXSA-N -1 1 586.666 6.428 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970130 553949863 /nfs/dbraw/zinc/94/98/63/553949863.db2.gz ONKZPVFBTYSEJA-RUZDIDTESA-N -1 1 608.669 5.370 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970143 553949989 /nfs/dbraw/zinc/94/99/89/553949989.db2.gz IHLFPWCEMTYDJB-WRHNGFHOSA-N -1 1 570.667 6.427 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970158 553950503 /nfs/dbraw/zinc/95/05/03/553950503.db2.gz IMYGHNOCBHLWCD-AKJBCIBTSA-N -1 1 576.671 5.948 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970158 553950505 /nfs/dbraw/zinc/95/05/05/553950505.db2.gz IMYGHNOCBHLWCD-AKJBCIBTSA-N -1 1 576.671 5.948 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097970192 553950836 /nfs/dbraw/zinc/95/08/36/553950836.db2.gz OHNHVGRDRMNJPG-ROTAYESASA-N -1 1 689.831 8.044 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970234 553951282 /nfs/dbraw/zinc/95/12/82/553951282.db2.gz DONRJXXMKFYYOL-ROTAYESASA-N -1 1 633.795 8.213 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970259 553951666 /nfs/dbraw/zinc/95/16/66/553951666.db2.gz SCCQWLJYDLEKDJ-JCOAXYOVSA-N -1 1 588.685 7.290 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970261 553951692 /nfs/dbraw/zinc/95/16/92/553951692.db2.gz SCCQWLJYDLEKDJ-ROTAYESASA-N -1 1 588.685 7.290 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970262 553951704 /nfs/dbraw/zinc/95/17/04/553951704.db2.gz SCCQWLJYDLEKDJ-UKPGIYTDSA-N -1 1 588.685 7.290 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970275 553951987 /nfs/dbraw/zinc/95/19/87/553951987.db2.gz MTYVHPYZCRALDK-XMMPIXPASA-N -1 1 578.643 5.361 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970292 553951998 /nfs/dbraw/zinc/95/19/98/553951998.db2.gz CBWHGNCIVAOMEX-WRGVRERRSA-N -1 1 654.741 6.712 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970277 553952099 /nfs/dbraw/zinc/95/20/99/553952099.db2.gz YLDPHRORZTYZJW-CPJLOUKISA-N -1 1 606.125 6.599 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970291 553952105 /nfs/dbraw/zinc/95/21/05/553952105.db2.gz CBWHGNCIVAOMEX-WENCNXQZSA-N -1 1 654.741 6.712 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097970332 553952389 /nfs/dbraw/zinc/95/23/89/553952389.db2.gz NNGGFUBNPWOUDQ-JRPXNJEYSA-N -1 1 582.722 7.588 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970386 553953303 /nfs/dbraw/zinc/95/33/03/553953303.db2.gz KFECRSFUEKRBRF-XGCWNURASA-N -1 1 556.640 6.037 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970385 553953411 /nfs/dbraw/zinc/95/34/11/553953411.db2.gz KFECRSFUEKRBRF-SOKVYYICSA-N -1 1 556.640 6.037 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000097970440 553954048 /nfs/dbraw/zinc/95/40/48/553954048.db2.gz IOAKEVYSVCTVOI-JLCFBVMHSA-N -1 1 551.020 5.554 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970454 553954172 /nfs/dbraw/zinc/95/41/72/553954172.db2.gz ZBRAWKBUSFEZJG-APYJYERMSA-N -1 1 663.821 8.269 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970466 553954606 /nfs/dbraw/zinc/95/46/06/553954606.db2.gz NKQAKJWBUKCAST-YMGMXPECSA-N -1 1 603.096 7.020 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970466 553954609 /nfs/dbraw/zinc/95/46/09/553954609.db2.gz NKQAKJWBUKCAST-YMGMXPECSA-N -1 1 603.096 7.020 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970500 553955109 /nfs/dbraw/zinc/95/51/09/553955109.db2.gz GLMUQGRYQABKGF-CRICUBBOSA-N -1 1 576.671 5.769 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970500 553955113 /nfs/dbraw/zinc/95/51/13/553955113.db2.gz GLMUQGRYQABKGF-CRICUBBOSA-N -1 1 576.671 5.769 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)s2)cc1 ZINC000097970534 553955423 /nfs/dbraw/zinc/95/54/23/553955423.db2.gz AZYXLUOLMQKORJ-GKVSMKOHSA-N -1 1 590.126 6.899 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)s2)cc1 ZINC000097970535 553955441 /nfs/dbraw/zinc/95/54/41/553955441.db2.gz AZYXLUOLMQKORJ-NSYGIPOTSA-N -1 1 590.126 6.899 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000097970543 553955640 /nfs/dbraw/zinc/95/56/40/553955640.db2.gz BATUKNKMXGSKIR-MMTVBGGISA-N -1 1 597.762 7.369 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000097970543 553955641 /nfs/dbraw/zinc/95/56/41/553955641.db2.gz BATUKNKMXGSKIR-MMTVBGGISA-N -1 1 597.762 7.369 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970580 553955933 /nfs/dbraw/zinc/95/59/33/553955933.db2.gz QULRYCOPLJCSQP-QTEAWJPNSA-N -1 1 612.704 6.765 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097970567 553956017 /nfs/dbraw/zinc/95/60/17/553956017.db2.gz FSZLIGBAXAQBIQ-SLQAJWMNSA-N -1 1 584.694 6.899 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000097970612 553956233 /nfs/dbraw/zinc/95/62/33/553956233.db2.gz FEMQRVTYPGSWBZ-ROTAYESASA-N -1 1 588.685 7.812 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097970634 553956858 /nfs/dbraw/zinc/95/68/58/553956858.db2.gz VXGNNTJHKOGTDX-LBEKAKSKSA-N -1 1 619.139 7.634 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000097970719 553958028 /nfs/dbraw/zinc/95/80/28/553958028.db2.gz IETXFNQHGFZMEB-BGOLNKOXSA-N -1 1 706.286 8.414 50 30 KKEAMM CCCCCCCCCCCCCCCCn1c2ccccc2nc1NCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000097999544 554043727 /nfs/dbraw/zinc/04/37/27/554043727.db2.gz IDPKDGBAJUXDRI-UHFFFAOYSA-N -1 1 616.916 10.239 50 30 KKEAMM CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000097999861 554046480 /nfs/dbraw/zinc/04/64/80/554046480.db2.gz PVDPLAQFKGFUOT-IMSFFZSHSA-N -1 1 665.186 8.392 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098046421 554138642 /nfs/dbraw/zinc/13/86/42/554138642.db2.gz JYQUKYTWDWPACZ-MHZLTWQESA-N -1 1 647.775 6.818 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098046448 554138884 /nfs/dbraw/zinc/13/88/84/554138884.db2.gz RWADBTBLJYDAJW-HHHXNRCGSA-N -1 1 617.749 6.809 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046453 554138895 /nfs/dbraw/zinc/13/88/95/554138895.db2.gz HXMPTFVDWYGAFX-NDEPHWFRSA-N -1 1 599.778 7.916 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046453 554138896 /nfs/dbraw/zinc/13/88/96/554138896.db2.gz HXMPTFVDWYGAFX-NDEPHWFRSA-N -1 1 599.778 7.916 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000098046446 554138951 /nfs/dbraw/zinc/13/89/51/554138951.db2.gz UWIOTSMTBNZJGQ-RUZDIDTESA-N -1 1 575.687 6.931 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000098046441 554139017 /nfs/dbraw/zinc/13/90/17/554139017.db2.gz VRLKEJUDBJXTGW-VWLOTQADSA-N -1 1 592.142 7.446 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046476 554139446 /nfs/dbraw/zinc/13/94/46/554139446.db2.gz PJRXDMCHOQGXSN-MUUNZHRXSA-N -1 1 634.223 8.569 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000098046465 554139470 /nfs/dbraw/zinc/13/94/70/554139470.db2.gz UDWFTYBFHIJQSP-VWLOTQADSA-N -1 1 610.132 7.585 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046459 554139476 /nfs/dbraw/zinc/13/94/76/554139476.db2.gz ZRBUZNOTBQPFLT-VWLOTQADSA-N -1 1 626.587 8.099 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000098046487 554139788 /nfs/dbraw/zinc/13/97/88/554139788.db2.gz BHSWADAYPFUYAB-VWLOTQADSA-N -1 1 610.132 7.585 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046512 554139894 /nfs/dbraw/zinc/13/98/94/554139894.db2.gz UBERUCBECIRDFP-UUWRZZSWSA-N -1 1 719.816 8.502 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000098046489 554139924 /nfs/dbraw/zinc/13/99/24/554139924.db2.gz OUQOFPSDJZHCRF-VWLOTQADSA-N -1 1 593.677 7.070 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000098046515 554140184 /nfs/dbraw/zinc/14/01/84/554140184.db2.gz MUWOEAFZDYTSRQ-XIFFEERXSA-N -1 1 689.790 8.493 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1ccccc1 ZINC000098046533 554140222 /nfs/dbraw/zinc/14/02/22/554140222.db2.gz CYDPTUQBZATDPX-HSZRJFAPSA-N -1 1 560.056 7.013 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000098046613 554141577 /nfs/dbraw/zinc/14/15/77/554141577.db2.gz DYQYLAWTNSIDDT-VWLOTQADSA-N -1 1 563.031 6.293 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000098046611 554141581 /nfs/dbraw/zinc/14/15/81/554141581.db2.gz PSQARSYRQYYXFZ-VWLOTQADSA-N -1 1 561.059 6.801 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098046606 554141604 /nfs/dbraw/zinc/14/16/04/554141604.db2.gz LDIRBSHYRDEFTB-WJOKGBTCSA-N -1 1 665.793 7.717 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046622 554141608 /nfs/dbraw/zinc/14/16/08/554141608.db2.gz LXJRWIGZIRQUKE-MUUNZHRXSA-N -1 1 570.667 6.728 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000098046635 554142032 /nfs/dbraw/zinc/14/20/32/554142032.db2.gz KFNCXUVETPSIQY-HXUWFJFHSA-N -1 1 585.132 6.349 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000098046679 554142260 /nfs/dbraw/zinc/14/22/60/554142260.db2.gz GFVGAYVZBXPFDZ-AREMUKBSSA-N -1 1 556.615 6.464 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccs3)cc2)c1 ZINC000098046694 554142317 /nfs/dbraw/zinc/14/23/17/554142317.db2.gz BNOGQYXQNXVPLQ-HKBQPEDESA-N -1 1 661.830 8.715 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000098046688 554142396 /nfs/dbraw/zinc/14/23/96/554142396.db2.gz VBTAZKLZFPNRGT-DEOSSOPVSA-N -1 1 576.472 6.279 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccs3)cc2)c1 ZINC000098046691 554142435 /nfs/dbraw/zinc/14/24/35/554142435.db2.gz DJYYNCKXJGUTJD-HHHXNRCGSA-N -1 1 629.760 7.701 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000098046669 554142446 /nfs/dbraw/zinc/14/24/46/554142446.db2.gz NRZQRSVEKZQKDM-HHHXNRCGSA-N -1 1 582.678 6.607 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000098046669 554142448 /nfs/dbraw/zinc/14/24/48/554142448.db2.gz NRZQRSVEKZQKDM-HHHXNRCGSA-N -1 1 582.678 6.607 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000098046844 554143985 /nfs/dbraw/zinc/14/39/85/554143985.db2.gz SEHPMFUPYZCRGY-JOCHJYFZSA-N -1 1 584.506 6.929 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccnc3)s2)cc1 ZINC000098046839 554144089 /nfs/dbraw/zinc/14/40/89/554144089.db2.gz OYVCLBXXSYSBLJ-NRFANRHFSA-N -1 1 535.050 5.970 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000098047113 554146712 /nfs/dbraw/zinc/14/67/12/554146712.db2.gz CJBXLGJUVNFBIR-HSZRJFAPSA-N -1 1 640.493 5.738 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047227 554147923 /nfs/dbraw/zinc/14/79/23/554147923.db2.gz HHCCRBNIIYFGEB-HHHXNRCGSA-N -1 1 613.692 6.928 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098047252 554148492 /nfs/dbraw/zinc/14/84/92/554148492.db2.gz JHTXQQZOFZFUEC-HKBQPEDESA-N -1 1 683.783 7.657 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000098047284 554148767 /nfs/dbraw/zinc/14/87/67/554148767.db2.gz BFOOZKOCHZIXNQ-VWLOTQADSA-N -1 1 564.660 6.023 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccccc2)cc1 ZINC000098047291 554148871 /nfs/dbraw/zinc/14/88/71/554148871.db2.gz AMHBIZMLTJHBLX-RUZDIDTESA-N -1 1 575.687 6.931 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047319 554149304 /nfs/dbraw/zinc/14/93/04/554149304.db2.gz MIDRSQXRZLUJEJ-WJOKGBTCSA-N -1 1 667.809 7.963 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047303 554149325 /nfs/dbraw/zinc/14/93/25/554149325.db2.gz XAUWZAGFBMSTPL-MUUNZHRXSA-N -1 1 641.727 6.498 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047320 554149370 /nfs/dbraw/zinc/14/93/70/554149370.db2.gz MIDRSQXRZLUJEJ-HKBQPEDESA-N -1 1 667.809 7.963 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000098047355 554149662 /nfs/dbraw/zinc/14/96/62/554149662.db2.gz BTUNLMXEQCCSDI-SANMLTNESA-N -1 1 622.168 7.454 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccnc2)cc1 ZINC000098047336 554149682 /nfs/dbraw/zinc/14/96/82/554149682.db2.gz DZRXDZCNOZGFGQ-XMMPIXPASA-N -1 1 576.675 6.326 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccccc2)cc1 ZINC000098047376 554150173 /nfs/dbraw/zinc/15/01/73/554150173.db2.gz KQVVRADDHXGCDY-RUZDIDTESA-N -1 1 557.697 6.792 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)c(C)c3)[C@H]2c2ccccc2F)nc1C ZINC000098047436 554150873 /nfs/dbraw/zinc/15/08/73/554150873.db2.gz AHYSEZJPKNJQPG-HSZRJFAPSA-N -1 1 550.608 5.814 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)c(C)c3)[C@@H]2c2ccccc2F)nc1C ZINC000098047437 554150922 /nfs/dbraw/zinc/15/09/22/554150922.db2.gz AHYSEZJPKNJQPG-QHCPKHFHSA-N -1 1 550.608 5.814 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000098047426 554150997 /nfs/dbraw/zinc/15/09/97/554150997.db2.gz OADQZZKAYRLKLA-SSEXGKCCSA-N -1 1 661.821 8.500 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047494 554151685 /nfs/dbraw/zinc/15/16/85/554151685.db2.gz VKQWAFYUEOPINN-NDEPHWFRSA-N -1 1 649.766 7.339 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047537 554152206 /nfs/dbraw/zinc/15/22/06/554152206.db2.gz VBDBPEGGKXEZRN-MHZLTWQESA-N -1 1 682.220 7.471 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047529 554152331 /nfs/dbraw/zinc/15/23/31/554152331.db2.gz OFXCZIGOWHBDKZ-PMERELPUSA-N -1 1 664.821 7.804 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047589 554153145 /nfs/dbraw/zinc/15/31/45/554153145.db2.gz XDHWVLQDDAYRJA-WJOKGBTCSA-N -1 1 708.302 9.023 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047603 554153640 /nfs/dbraw/zinc/15/36/40/554153640.db2.gz FZTGGSADZSMBOO-MUUNZHRXSA-N -1 1 661.802 7.126 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000098047616 554153675 /nfs/dbraw/zinc/15/36/75/554153675.db2.gz YVIVCGZVCFXDEV-VWLOTQADSA-N -1 1 593.677 7.070 50 30 KKEAMM CCCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC ZINC000098047635 554153956 /nfs/dbraw/zinc/15/39/56/554153956.db2.gz CSAOKGVDCGQIPS-MGBGTMOVSA-N -1 1 719.901 9.289 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000098047659 554153982 /nfs/dbraw/zinc/15/39/82/554153982.db2.gz STRUDZQVDCIZJQ-GDLZYMKVSA-N -1 1 648.778 7.334 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000098047671 554154439 /nfs/dbraw/zinc/15/44/39/554154439.db2.gz XPTKQHHOQUBYJE-DEOSSOPVSA-N -1 1 546.645 5.983 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000098047671 554154440 /nfs/dbraw/zinc/15/44/40/554154440.db2.gz XPTKQHHOQUBYJE-DEOSSOPVSA-N -1 1 546.645 5.983 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000098047661 554154463 /nfs/dbraw/zinc/15/44/63/554154463.db2.gz PBBXXUPRHCKDOF-RUZDIDTESA-N -1 1 610.132 7.585 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047693 554154529 /nfs/dbraw/zinc/15/45/29/554154529.db2.gz ZWACZXUBVKRNEH-RUZDIDTESA-N -1 1 602.694 6.700 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)c(C)c3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000098047672 554154557 /nfs/dbraw/zinc/15/45/57/554154557.db2.gz ABBXRMXVJXUQHN-XMMPIXPASA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)c(C)c3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000098047672 554154562 /nfs/dbraw/zinc/15/45/62/554154562.db2.gz ABBXRMXVJXUQHN-XMMPIXPASA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047713 554155069 /nfs/dbraw/zinc/15/50/69/554155069.db2.gz IMUACJDCDWPGHH-GDLZYMKVSA-N -1 1 639.730 7.479 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047743 554155453 /nfs/dbraw/zinc/15/54/53/554155453.db2.gz DFWIALPNXZDINP-MUUNZHRXSA-N -1 1 611.720 7.477 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Br)cc2)cc1OC ZINC000098047766 554155835 /nfs/dbraw/zinc/15/58/35/554155835.db2.gz YJCFYJJCCXHLKF-MHZLTWQESA-N -1 1 674.598 7.546 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000098047769 554155869 /nfs/dbraw/zinc/15/58/69/554155869.db2.gz IMHXQFBGSPJKRP-HHHXNRCGSA-N -1 1 720.623 7.260 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000098047809 554156152 /nfs/dbraw/zinc/15/61/52/554156152.db2.gz SJGNNKGEGCXORP-UUWRZZSWSA-N -1 1 701.826 8.363 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000098047794 554156239 /nfs/dbraw/zinc/15/62/39/554156239.db2.gz NIPXSFKTGHYOHZ-PMERELPUSA-N -1 1 637.783 7.907 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000098047794 554156243 /nfs/dbraw/zinc/15/62/43/554156243.db2.gz NIPXSFKTGHYOHZ-PMERELPUSA-N -1 1 637.783 7.907 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc(Br)c1O ZINC000098047838 554156623 /nfs/dbraw/zinc/15/66/23/554156623.db2.gz IQFHAXNJYHUZDO-SANMLTNESA-N -1 1 692.588 7.691 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccs2)cc1OC ZINC000098047856 554157039 /nfs/dbraw/zinc/15/70/39/554157039.db2.gz ZUPDUKMJXVVJIK-VWLOTQADSA-N -1 1 601.731 6.845 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000098047903 554157265 /nfs/dbraw/zinc/15/72/65/554157265.db2.gz XJQSANLZXQUXJS-AREMUKBSSA-N -1 1 602.112 7.867 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000098047892 554157319 /nfs/dbraw/zinc/15/73/19/554157319.db2.gz BADJKFCGQCSIHM-VWLOTQADSA-N -1 1 599.621 5.817 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccnc2)cc1F ZINC000098047920 554157724 /nfs/dbraw/zinc/15/77/24/554157724.db2.gz BMWNNZGJURYUGW-VWLOTQADSA-N -1 1 568.655 6.609 50 30 KKEAMM CO[C@H]1CC([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)=CCC1=O ZINC000098047980 554158285 /nfs/dbraw/zinc/15/82/85/554158285.db2.gz SNHNMELEUNXBRP-FXAWDEMLSA-N -1 1 539.660 5.089 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)ccc1O ZINC000098048012 554158414 /nfs/dbraw/zinc/15/84/14/554158414.db2.gz MUUKNVUYNRZTPB-AREMUKBSSA-N -1 1 542.613 5.918 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1O ZINC000098048032 554158794 /nfs/dbraw/zinc/15/87/94/554158794.db2.gz LDIYODTUFLGRMW-SXBQZSJRSA-N -1 1 546.576 5.646 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1O ZINC000098048032 554158798 /nfs/dbraw/zinc/15/87/98/554158798.db2.gz LDIYODTUFLGRMW-SXBQZSJRSA-N -1 1 546.576 5.646 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048045 554158867 /nfs/dbraw/zinc/15/88/67/554158867.db2.gz OZNGOBIQYISKGV-KWMCUTETSA-N -1 1 572.658 7.111 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048045 554158868 /nfs/dbraw/zinc/15/88/68/554158868.db2.gz OZNGOBIQYISKGV-KWMCUTETSA-N -1 1 572.658 7.111 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048044 554158943 /nfs/dbraw/zinc/15/89/43/554158943.db2.gz OZNGOBIQYISKGV-JMQGSBJISA-N -1 1 572.658 7.111 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048044 554158945 /nfs/dbraw/zinc/15/89/45/554158945.db2.gz OZNGOBIQYISKGV-JMQGSBJISA-N -1 1 572.658 7.111 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000098048179 554160247 /nfs/dbraw/zinc/16/02/47/554160247.db2.gz WVSXOSJTLOYNNM-MRDQGFSESA-N -1 1 563.676 5.776 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000098048179 554160251 /nfs/dbraw/zinc/16/02/51/554160251.db2.gz WVSXOSJTLOYNNM-MRDQGFSESA-N -1 1 563.676 5.776 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000098050337 554174100 /nfs/dbraw/zinc/17/41/00/554174100.db2.gz JFNAWINUBDSSKT-DEOSSOPVSA-N -1 1 546.645 6.018 50 30 KKEAMM CCc1ccc2oc(-c3cc(/N=C\c4cc(Br)cc(Br)c4[O-])ccc3O)nc2c1 ZINC000100042594 554192694 /nfs/dbraw/zinc/19/26/94/554192694.db2.gz WEXUENQDAWWVFW-GATIEOLUSA-N -1 1 516.189 6.744 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000053291355 554331440 /nfs/dbraw/zinc/33/14/40/554331440.db2.gz UEYPUZXGCMBSNA-DEOSSOPVSA-N -1 1 543.557 5.375 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000053291355 554331442 /nfs/dbraw/zinc/33/14/42/554331442.db2.gz UEYPUZXGCMBSNA-DEOSSOPVSA-N -1 1 543.557 5.375 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053306038 554333282 /nfs/dbraw/zinc/33/32/82/554333282.db2.gz WMCIQIAIJPBRHJ-FQEVSTJZSA-N -1 1 561.443 6.035 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000053306336 554333931 /nfs/dbraw/zinc/33/39/31/554333931.db2.gz XRVKIGIYXWDWRI-SANMLTNESA-N -1 1 528.630 6.610 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053306782 554334187 /nfs/dbraw/zinc/33/41/87/554334187.db2.gz WVMKZACDBFACGN-HHHXNRCGSA-N -1 1 556.640 6.256 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000053307023 554334714 /nfs/dbraw/zinc/33/47/14/554334714.db2.gz ZWCUKDWTKZHKFP-AREMUKBSSA-N -1 1 558.612 5.566 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000053307319 554334974 /nfs/dbraw/zinc/33/49/74/554334974.db2.gz UEWVPLYATWSAPW-QFIPXVFZSA-N -1 1 519.966 6.258 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000053307658 554335049 /nfs/dbraw/zinc/33/50/49/554335049.db2.gz GLAKJDHFEJCFEJ-JOCHJYFZSA-N -1 1 525.413 6.785 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000053308032 554335370 /nfs/dbraw/zinc/33/53/70/554335370.db2.gz RIPKKAHNVKIWPU-JOCHJYFZSA-N -1 1 525.399 5.916 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053319143 554336183 /nfs/dbraw/zinc/33/61/83/554336183.db2.gz WXUREQIPKUCOFT-QHCPKHFHSA-N -1 1 532.574 5.114 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053319143 554336188 /nfs/dbraw/zinc/33/61/88/554336188.db2.gz WXUREQIPKUCOFT-QHCPKHFHSA-N -1 1 532.574 5.114 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053319219 554336656 /nfs/dbraw/zinc/33/66/56/554336656.db2.gz HFNLPKIVWLUQSK-JOCHJYFZSA-N -1 1 535.419 6.240 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053319227 554336794 /nfs/dbraw/zinc/33/67/94/554336794.db2.gz LLTHEJJZKISHMK-JOCHJYFZSA-N -1 1 519.420 6.459 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000053319275 554336852 /nfs/dbraw/zinc/33/68/52/554336852.db2.gz GPKIBOUVZHBJKU-FQEVSTJZSA-N -1 1 526.343 5.426 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053319234 554336945 /nfs/dbraw/zinc/33/69/45/554336945.db2.gz BMTLFIBQJUPEDI-CLYVBNDRSA-N -1 1 538.625 6.276 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)ccc1O ZINC000053319434 554337841 /nfs/dbraw/zinc/33/78/41/554337841.db2.gz VYQOMMAJMRTHAE-VWLOTQADSA-N -1 1 543.601 5.231 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000053319406 554337908 /nfs/dbraw/zinc/33/79/08/554337908.db2.gz MUOTXTXHMXSLDV-MQNRADLISA-N -1 1 528.586 5.507 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053319473 554338272 /nfs/dbraw/zinc/33/82/72/554338272.db2.gz JCGYBDPBRZBXCE-VWLOTQADSA-N -1 1 528.630 6.394 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000053319481 554338369 /nfs/dbraw/zinc/33/83/69/554338369.db2.gz UNGHTZTZEGODCR-OAQYLSRUSA-N -1 1 551.577 5.025 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053319533 554338712 /nfs/dbraw/zinc/33/87/12/554338712.db2.gz SPKSJKUFLQCGSW-MUUNZHRXSA-N -1 1 570.667 6.728 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000053332888 554339331 /nfs/dbraw/zinc/33/93/31/554339331.db2.gz BCXKJKDPMIIDIU-MQNRADLISA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000053333536 554339338 /nfs/dbraw/zinc/33/93/38/554339338.db2.gz VZHSGBIUCMPMSO-AKJBCIBTSA-N -1 1 542.613 5.815 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000053332856 554339385 /nfs/dbraw/zinc/33/93/85/554339385.db2.gz FPOLTNCYAIRVQD-SANMLTNESA-N -1 1 558.612 5.484 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000053333876 554339761 /nfs/dbraw/zinc/33/97/61/554339761.db2.gz UUQHZQJXSWIVSX-RUZDIDTESA-N -1 1 530.602 5.809 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000053334163 554340173 /nfs/dbraw/zinc/34/01/73/554340173.db2.gz JJHBEKJZBAITEQ-XMMPIXPASA-N -1 1 595.029 5.530 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053334132 554340197 /nfs/dbraw/zinc/34/01/97/554340197.db2.gz DCXWAQAXIJPFOJ-AREMUKBSSA-N -1 1 558.612 5.648 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053334132 554340194 /nfs/dbraw/zinc/34/01/94/554340194.db2.gz DCXWAQAXIJPFOJ-AREMUKBSSA-N -1 1 558.612 5.648 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053334844 554340216 /nfs/dbraw/zinc/34/02/16/554340216.db2.gz RBUXLOJJJWVURK-HSZRJFAPSA-N -1 1 565.445 6.167 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000053334872 554340681 /nfs/dbraw/zinc/34/06/81/554340681.db2.gz FBPLCFWUZIQWGS-PWECECGKSA-N -1 1 593.057 6.082 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000053335191 554340745 /nfs/dbraw/zinc/34/07/45/554340745.db2.gz QRUCWGBDRFNKLQ-ZLOXQWCVSA-N -1 1 565.420 6.304 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053335132 554340766 /nfs/dbraw/zinc/34/07/66/554340766.db2.gz UXNXECJAXBITRD-QHCPKHFHSA-N -1 1 562.987 5.290 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000053336014 554341497 /nfs/dbraw/zinc/34/14/97/554341497.db2.gz BATUKNKMXGSKIR-WTYVLRPYSA-N -1 1 597.762 7.369 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000053336014 554341500 /nfs/dbraw/zinc/34/15/00/554341500.db2.gz BATUKNKMXGSKIR-WTYVLRPYSA-N -1 1 597.762 7.369 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053336023 554341522 /nfs/dbraw/zinc/34/15/22/554341522.db2.gz BTXOEIXWXPHJRF-VWLOTQADSA-N -1 1 561.015 6.069 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053336478 554341708 /nfs/dbraw/zinc/34/17/08/554341708.db2.gz DURRCBRGTBIONN-SHACYNPGSA-N -1 1 577.456 6.174 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000053337171 554342116 /nfs/dbraw/zinc/34/21/16/554342116.db2.gz PLOGEIUYRZOVGW-JOCHJYFZSA-N -1 1 573.841 6.811 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)c(OC)c1 ZINC000053338016 554342386 /nfs/dbraw/zinc/34/23/86/554342386.db2.gz IDGLNFINIHJRHM-JOCHJYFZSA-N -1 1 541.398 5.535 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)c(OC)c1 ZINC000053338012 554342510 /nfs/dbraw/zinc/34/25/10/554342510.db2.gz IDGLNFINIHJRHM-QFIPXVFZSA-N -1 1 541.398 5.535 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053337781 554342518 /nfs/dbraw/zinc/34/25/18/554342518.db2.gz RMGZZLLWMXSHGH-XMMPIXPASA-N -1 1 583.449 6.556 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000053338358 554342684 /nfs/dbraw/zinc/34/26/84/554342684.db2.gz PQBQJRXTCXAMDG-FQEVSTJZSA-N -1 1 558.182 5.903 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000053339016 554343286 /nfs/dbraw/zinc/34/32/86/554343286.db2.gz XGOVKCLNTFDQAJ-MUUNZHRXSA-N -1 1 586.666 6.346 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053339748 554343915 /nfs/dbraw/zinc/34/39/15/554343915.db2.gz XNIGJGAWZCGMHS-NRFANRHFSA-N -1 1 539.382 5.989 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053340413 554344165 /nfs/dbraw/zinc/34/41/65/554344165.db2.gz HSOIHINZNUROPX-AREMUKBSSA-N -1 1 542.657 6.784 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000100677317 554444732 /nfs/dbraw/zinc/44/47/32/554444732.db2.gz QUVIUIJPRNAAHF-QHCPKHFHSA-N -1 1 550.633 5.599 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000100677767 554444999 /nfs/dbraw/zinc/44/49/99/554444999.db2.gz IGEXOAORPFQNFF-SANMLTNESA-N -1 1 608.713 6.387 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100679942 554446040 /nfs/dbraw/zinc/44/60/40/554446040.db2.gz GPHVIAZOOPJJOW-SANMLTNESA-N -1 1 606.697 6.163 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000100679966 554446144 /nfs/dbraw/zinc/44/61/44/554446144.db2.gz VNFHOLGWEJBYNR-NDEPHWFRSA-N -1 1 612.704 7.382 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100679929 554446195 /nfs/dbraw/zinc/44/61/95/554446195.db2.gz RNWKDQAOGXNEBQ-MUUNZHRXSA-N -1 1 636.767 7.168 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000100680297 554446315 /nfs/dbraw/zinc/44/63/15/554446315.db2.gz DYHKJSMVLKHGAG-RUZDIDTESA-N -1 1 578.687 6.379 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000100680354 554446548 /nfs/dbraw/zinc/44/65/48/554446548.db2.gz HTBDVYSNJINQDJ-QHCPKHFHSA-N -1 1 550.608 5.895 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100680696 554446673 /nfs/dbraw/zinc/44/66/73/554446673.db2.gz XOTKHTWPLMAYDV-OAQYLSRUSA-N -1 1 541.025 5.853 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000100680679 554446712 /nfs/dbraw/zinc/44/67/12/554446712.db2.gz FWEPEOVLKCMWGL-VWLOTQADSA-N -1 1 592.670 5.860 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000100680999 554446716 /nfs/dbraw/zinc/44/67/16/554446716.db2.gz QKAMEWXTXKWXST-LJQANCHMSA-N -1 1 559.413 5.621 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000100681098 554447197 /nfs/dbraw/zinc/44/71/97/554447197.db2.gz GGUHJXNZORSMFN-DEOSSOPVSA-N -1 1 562.688 6.497 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccccc2)nc1C ZINC000100681006 554447207 /nfs/dbraw/zinc/44/72/07/554447207.db2.gz OSPOFSSSJOXANJ-QHCPKHFHSA-N -1 1 532.618 5.756 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)c(C)c1 ZINC000100736779 554461245 /nfs/dbraw/zinc/46/12/45/554461245.db2.gz UHDUAXGXKMJFAF-NRFANRHFSA-N -1 1 541.025 5.772 50 30 KKEAMM CCCCCCCCCCCCCCCCCCOc1ccccc1C([O-])=C(C(C)=O)C(=O)OCC ZINC000100740184 554462884 /nfs/dbraw/zinc/46/28/84/554462884.db2.gz DLMPGXNICRORFT-LJAQVGFWSA-N -1 1 502.736 8.278 50 30 KKEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc(OC)c1O ZINC000100885251 554508438 /nfs/dbraw/zinc/50/84/38/554508438.db2.gz YUGDMPDPOSZMCT-HXUWFJFHSA-N -1 1 526.014 5.003 50 30 KKEAMM COc1cc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc(OC)c1O ZINC000100885244 554508449 /nfs/dbraw/zinc/50/84/49/554508449.db2.gz YUGDMPDPOSZMCT-FQEVSTJZSA-N -1 1 526.014 5.003 50 30 KKEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000100885115 554508459 /nfs/dbraw/zinc/50/84/59/554508459.db2.gz YEBJOIBAVCAUHG-OAQYLSRUSA-N -1 1 537.613 5.125 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2Cl)no1 ZINC000101062663 554570628 /nfs/dbraw/zinc/57/06/28/554570628.db2.gz FMLJJOKGFCAXID-NHFXJNLRSA-N -1 1 515.791 6.014 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000101062629 554570712 /nfs/dbraw/zinc/57/07/12/554570712.db2.gz VAALXLODCWUHSS-AYWGPLOBSA-N -1 1 523.427 6.484 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000101069864 554574452 /nfs/dbraw/zinc/57/44/52/554574452.db2.gz SMIIQULQUUOUTA-LFVOPCPISA-N -1 1 513.344 5.726 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069942 554574614 /nfs/dbraw/zinc/57/46/14/554574614.db2.gz NWNQWXHPGZIJCY-NHFXJNLRSA-N -1 1 502.286 6.094 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101072816 554576624 /nfs/dbraw/zinc/57/66/24/554576624.db2.gz KFGQBQRKMSZQGW-NHFXJNLRSA-N -1 1 570.262 6.448 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101100182 554586845 /nfs/dbraw/zinc/58/68/45/554586845.db2.gz XXWNHTXNIFEWLG-MOBKVPTQSA-N -1 1 519.420 6.302 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000101100218 554587138 /nfs/dbraw/zinc/58/71/38/554587138.db2.gz QXRLGRPRXXSOIQ-NHFXJNLRSA-N -1 1 527.346 5.963 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101652 554638772 /nfs/dbraw/zinc/63/87/72/554638772.db2.gz LWNPYKKVOQDGHN-IAMBOQNYSA-N -1 1 519.420 6.302 50 30 KKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Br)c1 ZINC000101101551 554638857 /nfs/dbraw/zinc/63/88/57/554638857.db2.gz LDIZEPZCYOWGRB-SELCWUDQSA-N -1 1 515.385 5.886 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OCC)nc1C ZINC000101276757 554702869 /nfs/dbraw/zinc/70/28/69/554702869.db2.gz ZRMGULIZLKLAGO-ZHHPLPSFSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OCC)nc1C ZINC000101276757 554702871 /nfs/dbraw/zinc/70/28/71/554702871.db2.gz ZRMGULIZLKLAGO-ZHHPLPSFSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276802 554703222 /nfs/dbraw/zinc/70/32/22/554703222.db2.gz WWZXNUYCGMYIBV-NGAXIMOQSA-N -1 1 602.709 6.169 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276802 554703224 /nfs/dbraw/zinc/70/32/24/554703224.db2.gz WWZXNUYCGMYIBV-NGAXIMOQSA-N -1 1 602.709 6.169 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276809 554703257 /nfs/dbraw/zinc/70/32/57/554703257.db2.gz MMAKXGFXONHFFK-QBCYBHDASA-N -1 1 622.699 6.323 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276809 554703260 /nfs/dbraw/zinc/70/32/60/554703260.db2.gz MMAKXGFXONHFFK-QBCYBHDASA-N -1 1 622.699 6.323 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000101277372 554703541 /nfs/dbraw/zinc/70/35/41/554703541.db2.gz DMHIXOCMQRRWGH-SBXHHDGASA-N -1 1 578.643 5.145 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000101277942 554704164 /nfs/dbraw/zinc/70/41/64/554704164.db2.gz GYSLBCUTRVVMTG-UUALVTFQSA-N -1 1 598.652 6.447 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277738 554704262 /nfs/dbraw/zinc/70/42/62/554704262.db2.gz UAGWFEVOYNZJES-SBXHHDGASA-N -1 1 560.628 5.315 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277738 554704266 /nfs/dbraw/zinc/70/42/66/554704266.db2.gz UAGWFEVOYNZJES-SBXHHDGASA-N -1 1 560.628 5.315 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C ZINC000101278205 554704770 /nfs/dbraw/zinc/70/47/70/554704770.db2.gz SVXBLDUZODXGHK-MRJHHRETSA-N -1 1 583.460 5.500 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101293937 554710342 /nfs/dbraw/zinc/71/03/42/554710342.db2.gz VSMLCPOIJYZEBV-NPJIAGGLSA-N -1 1 531.033 6.703 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101293937 554710345 /nfs/dbraw/zinc/71/03/45/554710345.db2.gz VSMLCPOIJYZEBV-NPJIAGGLSA-N -1 1 531.033 6.703 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294082 554710644 /nfs/dbraw/zinc/71/06/44/554710644.db2.gz WPODKPCVNNRLGQ-UUALVTFQSA-N -1 1 540.641 6.449 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294083 554710687 /nfs/dbraw/zinc/71/06/87/554710687.db2.gz WPODKPCVNNRLGQ-ONQGDUAMSA-N -1 1 540.641 6.449 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294250 554710981 /nfs/dbraw/zinc/71/09/81/554710981.db2.gz DQQNPDMITVQYGI-QBTYMPIYSA-N -1 1 554.624 5.819 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294343 554711299 /nfs/dbraw/zinc/71/12/99/554711299.db2.gz VXAAZGPQXPUKCD-CJJGVWJISA-N -1 1 556.596 5.267 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294343 554711302 /nfs/dbraw/zinc/71/13/02/554711302.db2.gz VXAAZGPQXPUKCD-CJJGVWJISA-N -1 1 556.596 5.267 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000101310259 554717338 /nfs/dbraw/zinc/71/73/38/554717338.db2.gz JJASZBMSRDAAFW-HWTUVFLMSA-N -1 1 582.678 6.518 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310426 554717873 /nfs/dbraw/zinc/71/78/73/554717873.db2.gz IANPYJQIUFGAPJ-DFXXOVSGSA-N -1 1 600.649 5.666 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310426 554717878 /nfs/dbraw/zinc/71/78/78/554717878.db2.gz IANPYJQIUFGAPJ-DFXXOVSGSA-N -1 1 600.649 5.666 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000101313901 554722515 /nfs/dbraw/zinc/72/25/15/554722515.db2.gz DWWUSAYEPIEKOY-XXASTYAFSA-N -1 1 554.624 5.875 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316571 554723567 /nfs/dbraw/zinc/72/35/67/554723567.db2.gz UYCHDWNIUWOMOU-WKUSSTJHSA-N -1 1 568.651 6.210 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC=C)c2)nc1C ZINC000101316431 554723611 /nfs/dbraw/zinc/72/36/11/554723611.db2.gz FOVUMZIZTFEANM-MWCANZRFSA-N -1 1 572.639 5.309 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC=C)c2)nc1C ZINC000101316431 554723614 /nfs/dbraw/zinc/72/36/14/554723614.db2.gz FOVUMZIZTFEANM-MWCANZRFSA-N -1 1 572.639 5.309 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316574 554723862 /nfs/dbraw/zinc/72/38/62/554723862.db2.gz VGUJWRBRMFJYAD-ONQGDUAMSA-N -1 1 570.623 5.657 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316574 554723864 /nfs/dbraw/zinc/72/38/64/554723864.db2.gz VGUJWRBRMFJYAD-ONQGDUAMSA-N -1 1 570.623 5.657 50 30 KKEAMM CCCc1nnc(N2C(=O)C([O-])=C(C(=O)c3sc(-c4ccccc4)nc3C)[C@H]2c2ccc(CC)cc2)s1 ZINC000101344545 554736928 /nfs/dbraw/zinc/73/69/28/554736928.db2.gz 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554892315 /nfs/dbraw/zinc/89/23/15/554892315.db2.gz XPXUFOMOANETTO-SANMLTNESA-N -1 1 557.628 5.621 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102483574 554937630 /nfs/dbraw/zinc/93/76/30/554937630.db2.gz KGHTVLIMUQJLJO-ZHHPLPSFSA-N -1 1 549.446 6.392 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102483574 554937633 /nfs/dbraw/zinc/93/76/33/554937633.db2.gz KGHTVLIMUQJLJO-ZHHPLPSFSA-N -1 1 549.446 6.392 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102483851 554937690 /nfs/dbraw/zinc/93/76/90/554937690.db2.gz SOYUDVXGWWMOBB-HOGKFDNTSA-N -1 1 504.633 6.290 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102485522 554938248 /nfs/dbraw/zinc/93/82/48/554938248.db2.gz SNHPLTDNFDAGEC-IAMBOQNYSA-N -1 1 504.564 5.458 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102486623 554938457 /nfs/dbraw/zinc/93/84/57/554938457.db2.gz YWEYECSHNIXHMA-AYWGPLOBSA-N -1 1 596.042 5.472 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102491855 554939429 /nfs/dbraw/zinc/93/94/29/554939429.db2.gz NOLZDABCOQMCLG-NXLSWJSLSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102491855 554939431 /nfs/dbraw/zinc/93/94/31/554939431.db2.gz NOLZDABCOQMCLG-NXLSWJSLSA-N -1 1 546.601 5.347 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102499324 554941893 /nfs/dbraw/zinc/94/18/93/554941893.db2.gz AYZRKHQRBMDQFR-MOBKVPTQSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102499324 554941894 /nfs/dbraw/zinc/94/18/94/554941894.db2.gz AYZRKHQRBMDQFR-MOBKVPTQSA-N -1 1 501.520 5.148 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102502542 554943772 /nfs/dbraw/zinc/94/37/72/554943772.db2.gz PQIDZPZJRUINRS-HOGKFDNTSA-N -1 1 555.052 6.004 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102503347 554944011 /nfs/dbraw/zinc/94/40/11/554944011.db2.gz NTCXMFSNKCWINS-ZZIWUOEGSA-N -1 1 548.592 5.704 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102503347 554944012 /nfs/dbraw/zinc/94/40/12/554944012.db2.gz NTCXMFSNKCWINS-ZZIWUOEGSA-N -1 1 548.592 5.704 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102507498 554944911 /nfs/dbraw/zinc/94/49/11/554944911.db2.gz XKWOVWVUTFEWJS-COUQNMRISA-N -1 1 533.005 5.979 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102507498 554944912 /nfs/dbraw/zinc/94/49/12/554944912.db2.gz XKWOVWVUTFEWJS-COUQNMRISA-N -1 1 533.005 5.979 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102511083 554946157 /nfs/dbraw/zinc/94/61/57/554946157.db2.gz SIWCFDGZEIPOHC-AYWGPLOBSA-N -1 1 504.539 5.469 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102511378 554946171 /nfs/dbraw/zinc/94/61/71/554946171.db2.gz DGSMMBFXUXDZHG-JBCNATCCSA-N -1 1 520.588 5.169 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102512483 554946763 /nfs/dbraw/zinc/94/67/63/554946763.db2.gz YMZPRRQSUGVFFL-AYWGPLOBSA-N -1 1 520.994 5.983 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102519152 554949322 /nfs/dbraw/zinc/94/93/22/554949322.db2.gz JBVXFGAPAAZEOO-ASBZNUFUSA-N -1 1 515.443 6.908 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000102521410 554949616 /nfs/dbraw/zinc/94/96/16/554949616.db2.gz UGLWKISDPAKAFI-GOBJLOIFSA-N -1 1 502.832 5.893 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102521442 554949652 /nfs/dbraw/zinc/94/96/52/554949652.db2.gz YWAQSWVWZOQZJS-HOGKFDNTSA-N -1 1 506.967 5.593 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102520475 554949717 /nfs/dbraw/zinc/94/97/17/554949717.db2.gz BVMBPVKAIIZGMI-IAMBOQNYSA-N -1 1 503.511 5.587 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000102522336 554949918 /nfs/dbraw/zinc/94/99/18/554949918.db2.gz HTCUVWXXKZJUKT-NXLSWJSLSA-N -1 1 518.566 5.859 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102524402 554951136 /nfs/dbraw/zinc/95/11/36/554951136.db2.gz FYMLMCAZJKFKBA-IUKMQXEJSA-N -1 1 570.623 5.974 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102524402 554951139 /nfs/dbraw/zinc/95/11/39/554951139.db2.gz FYMLMCAZJKFKBA-IUKMQXEJSA-N -1 1 570.623 5.974 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102528079 554952725 /nfs/dbraw/zinc/95/27/25/554952725.db2.gz ZDXCHCNXIAKOEM-IUKMQXEJSA-N -1 1 514.603 6.028 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000102529899 554953476 /nfs/dbraw/zinc/95/34/76/554953476.db2.gz FMXTZSCKNSSJGD-JBCNATCCSA-N -1 1 514.987 5.065 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102538168 554956268 /nfs/dbraw/zinc/95/62/68/554956268.db2.gz GNMUWXMXPVVHRQ-AYWGPLOBSA-N -1 1 565.445 6.092 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102543452 554958092 /nfs/dbraw/zinc/95/80/92/554958092.db2.gz HFQSXWBNDKCOLU-ZHHPLPSFSA-N -1 1 520.538 5.088 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102546491 554959349 /nfs/dbraw/zinc/95/93/49/554959349.db2.gz IYHXMZSUDCZHGI-SBXHHDGASA-N -1 1 565.047 6.164 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102546491 554959352 /nfs/dbraw/zinc/95/93/52/554959352.db2.gz IYHXMZSUDCZHGI-SBXHHDGASA-N -1 1 565.047 6.164 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102547367 554959995 /nfs/dbraw/zinc/95/99/95/554959995.db2.gz YQGVPOXGPYWRII-DHJMZRGKSA-N -1 1 574.655 5.882 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102549335 554961009 /nfs/dbraw/zinc/96/10/09/554961009.db2.gz IABWBCMZBFEZJH-MNOIWJKESA-N -1 1 627.788 7.267 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102550173 554961273 /nfs/dbraw/zinc/96/12/73/554961273.db2.gz XXCKYHABQAHDNN-PDZZUNKHSA-N -1 1 586.666 6.052 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102550165 554961287 /nfs/dbraw/zinc/96/12/87/554961287.db2.gz XXCKYHABQAHDNN-JOMJOIQHSA-N -1 1 586.666 6.052 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102549926 554961303 /nfs/dbraw/zinc/96/13/03/554961303.db2.gz DTHIODGYPLTDIV-FLJNSMSWSA-N -1 1 600.693 6.442 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102550007 554961324 /nfs/dbraw/zinc/96/13/24/554961324.db2.gz RHGCYTDVJKCSHW-IUKMQXEJSA-N -1 1 576.627 5.274 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102551881 554962492 /nfs/dbraw/zinc/96/24/92/554962492.db2.gz LNHZPCFIJGPVSW-WYNCGZBVSA-N -1 1 554.668 6.733 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102553808 554963401 /nfs/dbraw/zinc/96/34/01/554963401.db2.gz UVZJCMZPIMCJNB-AIKCTZLLSA-N -1 1 561.457 6.317 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102558069 554965624 /nfs/dbraw/zinc/96/56/24/554965624.db2.gz WBYWHIBBVMKTGF-WTPDXTQDSA-N -1 1 571.869 7.206 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102558223 554965691 /nfs/dbraw/zinc/96/56/91/554965691.db2.gz HAHPEXHKRBPKDI-XXAHXYPMSA-N -1 1 628.747 7.222 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102558607 554965852 /nfs/dbraw/zinc/96/58/52/554965852.db2.gz QHEKTAGIIFEHHU-MIOXIQPJSA-N -1 1 616.692 6.280 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000102559071 554966414 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CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102693991 555009510 /nfs/dbraw/zinc/00/95/10/555009510.db2.gz HUYQVKHYDUMYNB-YDJIHCHBSA-N -1 1 509.381 5.841 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102694650 555009803 /nfs/dbraw/zinc/00/98/03/555009803.db2.gz ZEMMNNBTMADIGX-NPJIAGGLSA-N -1 1 530.602 5.647 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102695133 555010621 /nfs/dbraw/zinc/01/06/21/555010621.db2.gz YHUHSVWULODUKF-ZZIWUOEGSA-N -1 1 528.586 5.335 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102697292 555011815 /nfs/dbraw/zinc/01/18/15/555011815.db2.gz XJFSBFPJDJNQQW-SBXHHDGASA-N -1 1 500.576 5.502 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000102698856 555012412 /nfs/dbraw/zinc/01/24/12/555012412.db2.gz OTCVZTDYBABZES-ZZIWUOEGSA-N -1 1 502.567 5.996 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102705630 555014410 /nfs/dbraw/zinc/01/44/10/555014410.db2.gz LDCDKMYPDIJAHZ-NPJIAGGLSA-N -1 1 514.603 5.811 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102711436 555016834 /nfs/dbraw/zinc/01/68/34/555016834.db2.gz ADDSRAUTBOAJBD-QKJBWNOYSA-N -1 1 514.603 5.947 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102712477 555017091 /nfs/dbraw/zinc/01/70/91/555017091.db2.gz UGIYHJJUTUSNAH-NXLSWJSLSA-N -1 1 535.021 6.156 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102712477 555017096 /nfs/dbraw/zinc/01/70/96/555017096.db2.gz UGIYHJJUTUSNAH-NXLSWJSLSA-N -1 1 535.021 6.156 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000102715861 555018459 /nfs/dbraw/zinc/01/84/59/555018459.db2.gz PBPJTXSCKGITPX-CZNAVJSXSA-N -1 1 525.630 5.923 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102715979 555018588 /nfs/dbraw/zinc/01/85/88/555018588.db2.gz GUNMZNGXYWSPOT-MOBKVPTQSA-N -1 1 537.410 6.387 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102716852 555018812 /nfs/dbraw/zinc/01/88/12/555018812.db2.gz HHENIXOJZGCUNO-NPJIAGGLSA-N -1 1 533.049 6.927 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102716852 555018816 /nfs/dbraw/zinc/01/88/16/555018816.db2.gz HHENIXOJZGCUNO-NPJIAGGLSA-N -1 1 533.049 6.927 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102718765 555019687 /nfs/dbraw/zinc/01/96/87/555019687.db2.gz BEIAUMFHTPAQJS-SBXHHDGASA-N -1 1 528.586 5.335 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)ccc2OC)c1 ZINC000102719908 555019854 /nfs/dbraw/zinc/01/98/54/555019854.db2.gz VHWMRZFNTWMMQW-QKJBWNOYSA-N -1 1 530.602 5.565 50 30 KKEAMM CCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102722208 555020404 /nfs/dbraw/zinc/02/04/04/555020404.db2.gz MKUNYHIAHIKVBM-IDZRBWSNSA-N -1 1 528.649 6.486 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102724126 555021071 /nfs/dbraw/zinc/02/10/71/555021071.db2.gz CEDHVXMBSQRJTQ-IDZRBWSNSA-N -1 1 512.650 6.785 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102727314 555022261 /nfs/dbraw/zinc/02/22/61/555022261.db2.gz KDIYTGADGKAZIX-MOBKVPTQSA-N -1 1 506.605 5.564 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102727314 555022263 /nfs/dbraw/zinc/02/22/63/555022263.db2.gz KDIYTGADGKAZIX-MOBKVPTQSA-N -1 1 506.605 5.564 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102727869 555022483 /nfs/dbraw/zinc/02/24/83/555022483.db2.gz HVLJUGAMUUKFGM-ZHHPLPSFSA-N -1 1 549.446 6.311 50 30 KKEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)c1 ZINC000102727654 555022531 /nfs/dbraw/zinc/02/25/31/555022531.db2.gz BFLOMYUUSDKEJM-MOBKVPTQSA-N -1 1 535.419 6.002 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)c1 ZINC000102727654 555022533 /nfs/dbraw/zinc/02/25/33/555022533.db2.gz BFLOMYUUSDKEJM-MOBKVPTQSA-N -1 1 535.419 6.002 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102729132 555023042 /nfs/dbraw/zinc/02/30/42/555023042.db2.gz RTFMBJQPAHNVRN-MRJHHRETSA-N -1 1 523.408 6.149 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102729769 555023273 /nfs/dbraw/zinc/02/32/73/555023273.db2.gz WTAUAHWCVXPIRZ-ZHHPLPSFSA-N -1 1 549.446 6.256 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102729769 555023274 /nfs/dbraw/zinc/02/32/74/555023274.db2.gz WTAUAHWCVXPIRZ-ZHHPLPSFSA-N -1 1 549.446 6.256 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102732634 555024043 /nfs/dbraw/zinc/02/40/43/555024043.db2.gz KMILJVMZQVRHNO-NXLSWJSLSA-N -1 1 500.576 5.638 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102733063 555024428 /nfs/dbraw/zinc/02/44/28/555024428.db2.gz SZIBHDYGKLMGDO-ZHHPLPSFSA-N -1 1 533.447 6.556 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102733239 555024475 /nfs/dbraw/zinc/02/44/75/555024475.db2.gz WXNFOXCFSFWUFY-CJJGVWJISA-N -1 1 544.629 5.901 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102735337 555025226 /nfs/dbraw/zinc/02/52/26/555025226.db2.gz CUJXEWPWEASCPK-ZHHPLPSFSA-N -1 1 504.995 6.147 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102735337 555025230 /nfs/dbraw/zinc/02/52/30/555025230.db2.gz CUJXEWPWEASCPK-ZHHPLPSFSA-N -1 1 504.995 6.147 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000102735508 555025473 /nfs/dbraw/zinc/02/54/73/555025473.db2.gz SZBRRYZANGIISY-VSFGEHDGSA-N -1 1 602.712 7.442 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102735452 555025567 /nfs/dbraw/zinc/02/55/67/555025567.db2.gz FRAWSLHRNZFFGO-BBHOXHGRSA-N -1 1 516.619 5.727 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102735522 555025584 /nfs/dbraw/zinc/02/55/84/555025584.db2.gz QXCQUOWGXDSOLV-FPRSLYQBSA-N -1 1 580.662 6.183 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102735522 555025586 /nfs/dbraw/zinc/02/55/86/555025586.db2.gz QXCQUOWGXDSOLV-FPRSLYQBSA-N -1 1 580.662 6.183 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735561 555025818 /nfs/dbraw/zinc/02/58/18/555025818.db2.gz MVXYYBMZRJUPNX-VDGASQMCSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735561 555025819 /nfs/dbraw/zinc/02/58/19/555025819.db2.gz MVXYYBMZRJUPNX-VDGASQMCSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735580 555025823 /nfs/dbraw/zinc/02/58/23/555025823.db2.gz CQJMZSADGFEQTO-GBIFRDBCSA-N -1 1 595.076 7.692 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735580 555025825 /nfs/dbraw/zinc/02/58/25/555025825.db2.gz CQJMZSADGFEQTO-GBIFRDBCSA-N -1 1 595.076 7.692 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736934 555026517 /nfs/dbraw/zinc/02/65/17/555026517.db2.gz FGDSXLUFVPIPLJ-XLNMUAQOSA-N -1 1 547.976 5.808 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102770930 555058540 /nfs/dbraw/zinc/05/85/40/555058540.db2.gz RLIBNWNQZBNIAR-HTUFKCTLSA-N -1 1 545.060 7.023 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102771227 555059739 /nfs/dbraw/zinc/05/97/39/555059739.db2.gz AWOWEVPRKZHZJE-FECHNCLXSA-N -1 1 581.875 6.662 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102771230 555059746 /nfs/dbraw/zinc/05/97/46/555059746.db2.gz AWOWEVPRKZHZJE-XLNMUAQOSA-N -1 1 581.875 6.662 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102771228 555059753 /nfs/dbraw/zinc/05/97/53/555059753.db2.gz AWOWEVPRKZHZJE-YMCWBSDSSA-N -1 1 581.875 6.662 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102771225 555059762 /nfs/dbraw/zinc/05/97/62/555059762.db2.gz AWOWEVPRKZHZJE-KYWXLPDZSA-N -1 1 581.875 6.662 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102771460 555060308 /nfs/dbraw/zinc/06/03/08/555060308.db2.gz OMHTWCZUVRDPNT-CIKQMSCWSA-N -1 1 559.644 5.919 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)s2)cc1 ZINC000102771450 555060427 /nfs/dbraw/zinc/06/04/27/555060427.db2.gz NNQBECOHYBXCFG-IIHDFJPDSA-N -1 1 573.671 6.228 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102771458 555060440 /nfs/dbraw/zinc/06/04/40/555060440.db2.gz OMHTWCZUVRDPNT-SOIUSXPSSA-N -1 1 559.644 5.919 50 30 KKEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H]1c1ccc(Cl)cc1Cl ZINC000102789053 555068483 /nfs/dbraw/zinc/06/84/83/555068483.db2.gz KFQCOHMBQRMZEO-FQEVSTJZSA-N -1 1 606.421 5.567 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000102800111 555072475 /nfs/dbraw/zinc/07/24/75/555072475.db2.gz ZBZISSIWUDRNDW-JBCNATCCSA-N -1 1 511.372 5.370 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000102800111 555072477 /nfs/dbraw/zinc/07/24/77/555072477.db2.gz ZBZISSIWUDRNDW-JBCNATCCSA-N -1 1 511.372 5.370 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102856725 555087963 /nfs/dbraw/zinc/08/79/63/555087963.db2.gz ZRLANRKKPIYIMK-SBXHHDGASA-N -1 1 533.049 6.882 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102857243 555088586 /nfs/dbraw/zinc/08/85/86/555088586.db2.gz GYAGDXOPGFNCFG-UVDRRRQGSA-N -1 1 529.574 5.846 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102860738 555090893 /nfs/dbraw/zinc/09/08/93/555090893.db2.gz HIXFWJHGZHTPQD-MOBKVPTQSA-N -1 1 538.528 5.227 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102861857 555091896 /nfs/dbraw/zinc/09/18/96/555091896.db2.gz MIAJJMMYMMMJHS-AYWGPLOBSA-N -1 1 531.546 5.238 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102863034 555092911 /nfs/dbraw/zinc/09/29/11/555092911.db2.gz MEICGQABHIGMKF-SBXHHDGASA-N -1 1 500.576 5.557 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102863489 555093325 /nfs/dbraw/zinc/09/33/25/555093325.db2.gz IHVUAAVUOFBFDF-IAMBOQNYSA-N -1 1 519.966 6.101 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102863489 555093327 /nfs/dbraw/zinc/09/33/27/555093327.db2.gz IHVUAAVUOFBFDF-IAMBOQNYSA-N -1 1 519.966 6.101 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102864647 555094232 /nfs/dbraw/zinc/09/42/32/555094232.db2.gz INGHHEZUPMHRJC-IAMBOQNYSA-N -1 1 502.548 5.227 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102864647 555094234 /nfs/dbraw/zinc/09/42/34/555094234.db2.gz INGHHEZUPMHRJC-IAMBOQNYSA-N -1 1 502.548 5.227 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102864987 555094426 /nfs/dbraw/zinc/09/44/26/555094426.db2.gz VLGWKRFZQZREIK-AYWGPLOBSA-N -1 1 548.661 5.869 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102864983 555094591 /nfs/dbraw/zinc/09/45/91/555094591.db2.gz VLGWKRFZQZREIK-ZHHPLPSFSA-N -1 1 548.661 5.869 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102865400 555094830 /nfs/dbraw/zinc/09/48/30/555094830.db2.gz AYQCGZJEZLEEAM-HOGKFDNTSA-N -1 1 522.604 5.400 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102866142 555095518 /nfs/dbraw/zinc/09/55/18/555095518.db2.gz UZBHFRMYQROCAF-QBTYMPIYSA-N -1 1 556.640 6.043 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(OC)c2OC)cc1Cl ZINC000102866172 555095563 /nfs/dbraw/zinc/09/55/63/555095563.db2.gz DHUNMJDUVGDAGT-YDJIHCHBSA-N -1 1 514.987 5.065 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102866850 555096087 /nfs/dbraw/zinc/09/60/87/555096087.db2.gz JFNDIMOFRWZJEN-JFTLGNCFSA-N -1 1 528.586 5.269 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102866916 555096404 /nfs/dbraw/zinc/09/64/04/555096404.db2.gz AZDTWPKWAJTXBC-NHFXJNLRSA-N -1 1 508.596 5.453 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102866875 555096410 /nfs/dbraw/zinc/09/64/10/555096410.db2.gz AHEMDIMHMSFVOL-SSELITHESA-N -1 1 542.613 5.653 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102866869 555096472 /nfs/dbraw/zinc/09/64/72/555096472.db2.gz AHEMDIMHMSFVOL-UJWLLDLUSA-N -1 1 542.613 5.653 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000102868204 555097567 /nfs/dbraw/zinc/09/75/67/555097567.db2.gz YFIDOCGIUBQSPN-MOBKVPTQSA-N -1 1 555.052 6.005 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102867982 555097584 /nfs/dbraw/zinc/09/75/84/555097584.db2.gz SSGCWRQENYDSHZ-UUALVTFQSA-N -1 1 558.656 6.291 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000102868471 555097998 /nfs/dbraw/zinc/09/79/98/555097998.db2.gz UXUCTMCKQMZBIH-GMBUILNLSA-N -1 1 607.482 6.031 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000102868471 555098000 /nfs/dbraw/zinc/09/80/00/555098000.db2.gz UXUCTMCKQMZBIH-GMBUILNLSA-N -1 1 607.482 6.031 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102869811 555099553 /nfs/dbraw/zinc/09/95/53/555099553.db2.gz WBBIIJQFWQLFFX-TVXPFAQOSA-N -1 1 603.697 6.318 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102869676 555099572 /nfs/dbraw/zinc/09/95/72/555099572.db2.gz WKBVHZAVEIJZDT-FSISNWKMSA-N -1 1 577.456 6.017 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102870335 555100436 /nfs/dbraw/zinc/10/04/36/555100436.db2.gz ALLZZIQAGJZKAE-DFXXOVSGSA-N -1 1 621.111 6.925 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102870178 555100474 /nfs/dbraw/zinc/10/04/74/555100474.db2.gz XVIZRDQQAZZLMS-QMWVLESOSA-N -1 1 618.711 7.224 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102871302 555101872 /nfs/dbraw/zinc/10/18/72/555101872.db2.gz XJOPMKQSRQCJPX-CIKQMSCWSA-N -1 1 562.644 5.367 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102871302 555101874 /nfs/dbraw/zinc/10/18/74/555101874.db2.gz XJOPMKQSRQCJPX-CIKQMSCWSA-N -1 1 562.644 5.367 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102872754 555103149 /nfs/dbraw/zinc/10/31/49/555103149.db2.gz XPBLJQYQKAZHAE-NXLSWJSLSA-N -1 1 534.565 5.478 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102873286 555103694 /nfs/dbraw/zinc/10/36/94/555103694.db2.gz LKYVNJIAFDSEGD-ZHHPLPSFSA-N -1 1 551.020 5.910 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102873286 555103697 /nfs/dbraw/zinc/10/36/97/555103697.db2.gz LKYVNJIAFDSEGD-ZHHPLPSFSA-N -1 1 551.020 5.910 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000102874778 555104900 /nfs/dbraw/zinc/10/49/00/555104900.db2.gz DJPOTYNMWIMMHG-QKJBWNOYSA-N -1 1 517.050 7.316 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000102875191 555105230 /nfs/dbraw/zinc/10/52/30/555105230.db2.gz YNFCWIWTHXVRDG-NHFXJNLRSA-N -1 1 513.384 5.148 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102876775 555106653 /nfs/dbraw/zinc/10/66/53/555106653.db2.gz LPTNFCINNYWTFO-ZHHPLPSFSA-N -1 1 504.995 6.283 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102876775 555106656 /nfs/dbraw/zinc/10/66/56/555106656.db2.gz LPTNFCINNYWTFO-ZHHPLPSFSA-N -1 1 504.995 6.283 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102879026 555108113 /nfs/dbraw/zinc/10/81/13/555108113.db2.gz YADCUVYPBSLMSZ-HOGKFDNTSA-N -1 1 552.630 5.409 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102879147 555108396 /nfs/dbraw/zinc/10/83/96/555108396.db2.gz POTPGKDNMWKDKM-AYWGPLOBSA-N -1 1 516.575 5.257 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102880015 555108999 /nfs/dbraw/zinc/10/89/99/555108999.db2.gz XXVXMAIWSWJSPK-ZHHPLPSFSA-N -1 1 520.994 5.983 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102881458 555110070 /nfs/dbraw/zinc/11/00/70/555110070.db2.gz CIOLPXJGDCJMBR-AYWGPLOBSA-N -1 1 550.564 5.096 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102882868 555111027 /nfs/dbraw/zinc/11/10/27/555111027.db2.gz NXAULRNGZPRPIC-NXLSWJSLSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102882868 555111029 /nfs/dbraw/zinc/11/10/29/555111029.db2.gz NXAULRNGZPRPIC-NXLSWJSLSA-N -1 1 546.601 5.347 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102883137 555111271 /nfs/dbraw/zinc/11/12/71/555111271.db2.gz JHZFMQZQKOCJDZ-ZHHPLPSFSA-N -1 1 536.993 5.602 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102883605 555112130 /nfs/dbraw/zinc/11/21/30/555112130.db2.gz XQEZSZIYNQWNBL-JBCNATCCSA-N -1 1 529.376 6.377 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102883736 555112270 /nfs/dbraw/zinc/11/22/70/555112270.db2.gz MEORUSPHMAHIQN-MOBKVPTQSA-N -1 1 535.965 5.883 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000102884233 555112857 /nfs/dbraw/zinc/11/28/57/555112857.db2.gz AADVPSXFZKGIRT-WREUJOMVSA-N -1 1 618.711 7.142 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102884399 555113168 /nfs/dbraw/zinc/11/31/68/555113168.db2.gz OTXXBHSWGZPQHC-SLPYKNDMSA-N -1 1 600.693 6.498 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102884510 555113567 /nfs/dbraw/zinc/11/35/67/555113567.db2.gz YIKQTLLLXBSNNU-MIOXIQPJSA-N -1 1 600.693 6.662 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102884510 555113570 /nfs/dbraw/zinc/11/35/70/555113570.db2.gz YIKQTLLLXBSNNU-MIOXIQPJSA-N -1 1 600.693 6.662 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102884633 555113726 /nfs/dbraw/zinc/11/37/26/555113726.db2.gz NSPVVVDCIJVAGD-CZNAVJSXSA-N -1 1 556.640 6.000 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102884617 555113802 /nfs/dbraw/zinc/11/38/02/555113802.db2.gz YFWOYGQNZBQIRY-ANCNPBKRSA-N -1 1 563.031 5.917 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102884617 555113805 /nfs/dbraw/zinc/11/38/05/555113805.db2.gz YFWOYGQNZBQIRY-ANCNPBKRSA-N -1 1 563.031 5.917 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000102884624 555113858 /nfs/dbraw/zinc/11/38/58/555113858.db2.gz DBHLQGAQTNWJOV-NSOCNUKWSA-N -1 1 620.724 6.011 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000102884624 555113859 /nfs/dbraw/zinc/11/38/59/555113859.db2.gz DBHLQGAQTNWJOV-NSOCNUKWSA-N -1 1 620.724 6.011 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccs2)s1 ZINC000102884621 555113897 /nfs/dbraw/zinc/11/38/97/555113897.db2.gz VYJGSBGMONSYPA-HOGKFDNTSA-N -1 1 503.605 5.422 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102885767 555116137 /nfs/dbraw/zinc/11/61/37/555116137.db2.gz SZFDJMDUYRACEC-ZHHPLPSFSA-N -1 1 565.445 6.011 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102885764 555116147 /nfs/dbraw/zinc/11/61/47/555116147.db2.gz SZFDJMDUYRACEC-AYWGPLOBSA-N -1 1 565.445 6.011 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000102886681 555117340 /nfs/dbraw/zinc/11/73/40/555117340.db2.gz CKYDGXHMBNNJFI-WRPQUVRJSA-N -1 1 513.575 5.040 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000102886681 555117341 /nfs/dbraw/zinc/11/73/41/555117341.db2.gz CKYDGXHMBNNJFI-WRPQUVRJSA-N -1 1 513.575 5.040 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102887067 555117827 /nfs/dbraw/zinc/11/78/27/555117827.db2.gz JZJGRYSKRWGPNW-IZSGBISHSA-N -1 1 590.657 7.047 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102887142 555118149 /nfs/dbraw/zinc/11/81/49/555118149.db2.gz NYLLOEADLPERFC-AMKIGSDESA-N -1 1 603.697 6.318 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102887266 555118640 /nfs/dbraw/zinc/11/86/40/555118640.db2.gz CZDWUDHVZCYRSN-AYWGPLOBSA-N -1 1 518.978 5.656 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102887266 555118644 /nfs/dbraw/zinc/11/86/44/555118644.db2.gz CZDWUDHVZCYRSN-AYWGPLOBSA-N -1 1 518.978 5.656 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102887215 555118668 /nfs/dbraw/zinc/11/86/68/555118668.db2.gz 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CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000102887792 555120218 /nfs/dbraw/zinc/12/02/18/555120218.db2.gz NBDGZFWZCKJWQA-UUALVTFQSA-N -1 1 582.678 6.450 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102888688 555122123 /nfs/dbraw/zinc/12/21/23/555122123.db2.gz WRHWXEJMMNPUDF-ZDZPXDOOSA-N -1 1 588.638 5.280 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102888688 555122126 /nfs/dbraw/zinc/12/21/26/555122126.db2.gz WRHWXEJMMNPUDF-ZDZPXDOOSA-N -1 1 588.638 5.280 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102888789 555122211 /nfs/dbraw/zinc/12/22/11/555122211.db2.gz HUUQWLZHHRYXKK-IKZPYDRGSA-N -1 1 575.086 7.078 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102888789 555122215 /nfs/dbraw/zinc/12/22/15/555122215.db2.gz HUUQWLZHHRYXKK-IKZPYDRGSA-N -1 1 575.086 7.078 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102889271 555123173 /nfs/dbraw/zinc/12/31/73/555123173.db2.gz MHUWGQHKFKZRAO-ANCNPBKRSA-N -1 1 563.031 6.004 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102889271 555123174 /nfs/dbraw/zinc/12/31/74/555123174.db2.gz MHUWGQHKFKZRAO-ANCNPBKRSA-N -1 1 563.031 6.004 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102889385 555123465 /nfs/dbraw/zinc/12/34/65/555123465.db2.gz TXISKOCCAGBZAZ-GROYHEBESA-N -1 1 503.363 5.171 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102889307 555123486 /nfs/dbraw/zinc/12/34/86/555123486.db2.gz RCMYYDQKANRILW-FWOIGAHVSA-N -1 1 576.602 5.411 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102890128 555125057 /nfs/dbraw/zinc/12/50/57/555125057.db2.gz WVUJLQSISKMJIO-WKUSSTJHSA-N -1 1 568.695 6.942 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(Br)cc3s2)cc1 ZINC000102890282 555125287 /nfs/dbraw/zinc/12/52/87/555125287.db2.gz XNSCGMOJARMWEI-MRJHHRETSA-N -1 1 521.392 5.694 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(Br)cc3s2)cc1 ZINC000102890282 555125289 /nfs/dbraw/zinc/12/52/89/555125289.db2.gz XNSCGMOJARMWEI-MRJHHRETSA-N -1 1 521.392 5.694 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102890424 555125512 /nfs/dbraw/zinc/12/55/12/555125512.db2.gz AYNPCPBFCQURER-VSFGEHDGSA-N -1 1 626.775 7.686 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102890352 555125625 /nfs/dbraw/zinc/12/56/25/555125625.db2.gz DSHCOBGEDNIMMA-NXLSWJSLSA-N -1 1 593.455 5.855 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102891642 555127414 /nfs/dbraw/zinc/12/74/14/555127414.db2.gz KNSZFCXTNBZHRW-RFAFYKRUSA-N -1 1 542.613 5.659 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102892715 555129038 /nfs/dbraw/zinc/12/90/38/555129038.db2.gz YXHABXSFOQDFLG-GMBUILNLSA-N -1 1 544.560 5.172 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102893112 555129901 /nfs/dbraw/zinc/12/99/01/555129901.db2.gz WNAFSJGAXLMZIV-IOUQRVAPSA-N -1 1 590.698 6.147 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102893112 555129905 /nfs/dbraw/zinc/12/99/05/555129905.db2.gz WNAFSJGAXLMZIV-IOUQRVAPSA-N -1 1 590.698 6.147 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102893395 555130821 /nfs/dbraw/zinc/13/08/21/555130821.db2.gz KBJRXXREVJWEGP-ROBPHKHBSA-N -1 1 618.708 5.932 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102893395 555130824 /nfs/dbraw/zinc/13/08/24/555130824.db2.gz KBJRXXREVJWEGP-ROBPHKHBSA-N -1 1 618.708 5.932 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102894571 555132453 /nfs/dbraw/zinc/13/24/53/555132453.db2.gz OJGCSHQZMQWPKO-XCSSDTEYSA-N -1 1 585.707 6.179 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102894922 555133157 /nfs/dbraw/zinc/13/31/57/555133157.db2.gz KEJLCTOIFWLGBW-GAPOMRBKSA-N -1 1 542.613 5.709 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102894924 555133245 /nfs/dbraw/zinc/13/32/45/555133245.db2.gz KEJLCTOIFWLGBW-DHJMZRGKSA-N -1 1 542.613 5.709 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102895009 555133585 /nfs/dbraw/zinc/13/35/85/555133585.db2.gz FEPCSFCJEGRKRB-UUALVTFQSA-N -1 1 607.084 6.535 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102895423 555134431 /nfs/dbraw/zinc/13/44/31/555134431.db2.gz FQQGDAFKVHBLNE-ROBPHKHBSA-N -1 1 620.724 6.156 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102895878 555135285 /nfs/dbraw/zinc/13/52/85/555135285.db2.gz NOPDVBNUHHAJPZ-CZNAVJSXSA-N -1 1 560.628 5.656 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896161 555135677 /nfs/dbraw/zinc/13/56/77/555135677.db2.gz AWBHLLMJZTUOKZ-YZUJGMDRSA-N -1 1 614.720 6.832 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896161 555135680 /nfs/dbraw/zinc/13/56/80/555135680.db2.gz AWBHLLMJZTUOKZ-YZUJGMDRSA-N -1 1 614.720 6.832 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102897063 555137181 /nfs/dbraw/zinc/13/71/81/555137181.db2.gz ZHSFQIIDEAFQJI-MWCANZRFSA-N -1 1 571.680 5.789 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896911 555137195 /nfs/dbraw/zinc/13/71/95/555137195.db2.gz SDZPHNYHAHRVTA-WGGXKBPPSA-N -1 1 616.692 6.280 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102897277 555137602 /nfs/dbraw/zinc/13/76/02/555137602.db2.gz JOTNUOQTBSJQTD-NXLSWJSLSA-N -1 1 578.643 5.061 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000102899337 555139079 /nfs/dbraw/zinc/13/90/79/555139079.db2.gz YPBOISFCJDBTFU-RFRSNRLQSA-N -1 1 590.657 7.103 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102899749 555139475 /nfs/dbraw/zinc/13/94/75/555139475.db2.gz WAIVTKKLHZDKHX-CJJGVWJISA-N -1 1 622.696 5.603 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102928246 555153613 /nfs/dbraw/zinc/15/36/13/555153613.db2.gz VNTQTRXAAIXOAQ-AYWGPLOBSA-N -1 1 520.538 5.088 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102929315 555155076 /nfs/dbraw/zinc/15/50/76/555155076.db2.gz UVBZQBPLRATORX-ZHHPLPSFSA-N -1 1 520.994 5.983 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102929864 555156226 /nfs/dbraw/zinc/15/62/26/555156226.db2.gz FTUMCWGDCNYJDC-SBXHHDGASA-N -1 1 528.586 5.416 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102929864 555156228 /nfs/dbraw/zinc/15/62/28/555156228.db2.gz FTUMCWGDCNYJDC-SBXHHDGASA-N -1 1 528.586 5.416 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102930846 555158014 /nfs/dbraw/zinc/15/80/14/555158014.db2.gz ZJLSAINQNGEGIU-RKKARLDVSA-N -1 1 506.898 5.051 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102931541 555159159 /nfs/dbraw/zinc/15/91/59/555159159.db2.gz PLANNKKPWJPESB-MRJHHRETSA-N -1 1 505.508 5.131 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000103928950 571370075 /nfs/dbraw/zinc/37/00/75/571370075.db2.gz MMRBKJIBNCKXCD-ZHHPLPSFSA-N -1 1 548.661 5.869 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000103929014 571370106 /nfs/dbraw/zinc/37/01/06/571370106.db2.gz VMUUTVRLRWITNF-NHFXJNLRSA-N -1 1 561.443 5.878 50 30 KKEAMM Cc1ccc(Nc2nc(N=NCc3cc(I)cc(I)c3[O-])nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000150350218 571461760 /nfs/dbraw/zinc/46/17/60/571461760.db2.gz QTERUPQFIDWWNY-KKMKTNMSSA-N -1 1 722.285 6.245 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000150391956 571474306 /nfs/dbraw/zinc/47/43/06/571474306.db2.gz DLKSEEIAABETHR-CJJGVWJISA-N -1 1 647.547 6.904 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000150422218 571488223 /nfs/dbraw/zinc/48/82/23/571488223.db2.gz VYDIZMCIRGAMGG-QMMFTLRZSA-N -1 1 667.740 6.946 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000150424447 571489207 /nfs/dbraw/zinc/48/92/07/571489207.db2.gz ALNMPYLJCQPDIK-VEZPTTSMSA-N -1 1 708.258 7.705 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150426551 571490917 /nfs/dbraw/zinc/49/09/17/571490917.db2.gz GLFTVGYGNRKUDZ-JFTLGNCFSA-N -1 1 668.580 6.874 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150426663 571490987 /nfs/dbraw/zinc/49/09/87/571490987.db2.gz YOZWDEBXMQWRAT-DFXXOVSGSA-N -1 1 651.722 6.168 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000150427658 571491730 /nfs/dbraw/zinc/49/17/30/571491730.db2.gz QSUZWZDAXVEFJU-MIOXIQPJSA-N -1 1 642.730 6.549 50 30 KKEAMM CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000150431425 571493710 /nfs/dbraw/zinc/49/37/10/571493710.db2.gz WWVUDFZEXNEXHX-GDLZYMKVSA-N -1 1 650.794 7.558 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150432751 571494381 /nfs/dbraw/zinc/49/43/81/571494381.db2.gz WHMAPQRSNPEHTO-AREMUKBSSA-N -1 1 638.739 6.252 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000150435110 571495234 /nfs/dbraw/zinc/49/52/34/571495234.db2.gz BLRVCSUIXHTBPP-NDEPHWFRSA-N -1 1 627.694 7.992 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000150435527 571495425 /nfs/dbraw/zinc/49/54/25/571495425.db2.gz LOSQQCCTQRVVIX-HTDBSKDNSA-N -1 1 709.821 7.897 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000150435465 571495556 /nfs/dbraw/zinc/49/55/56/571495556.db2.gz WCLVVDIDEIZFQI-MFWFGDGVSA-N -1 1 705.858 8.066 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150435761 571495782 /nfs/dbraw/zinc/49/57/82/571495782.db2.gz IJMKAPJDDWCSKR-ZWEIEUJTSA-N -1 1 648.737 7.288 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000150435677 571495811 /nfs/dbraw/zinc/49/58/11/571495811.db2.gz HVHKVIAFIOCFPO-RBHLQMETSA-N -1 1 648.737 7.232 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000150435777 571495870 /nfs/dbraw/zinc/49/58/70/571495870.db2.gz LWLVQFIHHWNNKH-RJIUIVJKSA-N -1 1 707.830 7.514 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000150438527 571497104 /nfs/dbraw/zinc/49/71/04/571497104.db2.gz JMDYYXMNXJJJTR-GDLZYMKVSA-N -1 1 692.844 8.216 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000150439908 571497687 /nfs/dbraw/zinc/49/76/87/571497687.db2.gz VYFRXGUGTUNNRV-DNPZSINUSA-N -1 1 726.276 8.411 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000150440072 571497818 /nfs/dbraw/zinc/49/78/18/571497818.db2.gz IXWKXDUJSMOLAL-JOZOHXTNSA-N -1 1 709.821 7.897 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000150440078 571497884 /nfs/dbraw/zinc/49/78/84/571497884.db2.gz UYEXYXJSTSWRPN-KFLIVHAJSA-N -1 1 711.793 7.345 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150445391 571500355 /nfs/dbraw/zinc/50/03/55/571500355.db2.gz YYLBGXYSIQNAHO-DFXXOVSGSA-N -1 1 658.729 6.168 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150445477 571500362 /nfs/dbraw/zinc/50/03/62/571500362.db2.gz OTHZNQOVQVMABW-DDLSXHCZSA-N -1 1 635.767 7.332 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150445477 571500363 /nfs/dbraw/zinc/50/03/63/571500363.db2.gz OTHZNQOVQVMABW-DDLSXHCZSA-N -1 1 635.767 7.332 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150445735 571500655 /nfs/dbraw/zinc/50/06/55/571500655.db2.gz QXFMDUZJAZNDKG-LOOKCOSASA-N -1 1 631.751 7.098 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000150447008 571501153 /nfs/dbraw/zinc/50/11/53/571501153.db2.gz NKFKFDCYWHCXMT-RUZDIDTESA-N -1 1 638.123 6.618 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000150447238 571501301 /nfs/dbraw/zinc/50/13/01/571501301.db2.gz GQVBCVKBRZEWRI-XMMPIXPASA-N -1 1 642.067 5.338 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150451026 571502682 /nfs/dbraw/zinc/50/26/82/571502682.db2.gz ZCRUSCGXIHJYEY-AHPONGEQSA-N -1 1 646.721 7.544 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457079 571504706 /nfs/dbraw/zinc/50/47/06/571504706.db2.gz LWZQMYQLJRPHKJ-LHKMDIPOSA-N -1 1 659.761 6.883 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457709 571505011 /nfs/dbraw/zinc/50/50/11/571505011.db2.gz MKHIVYJSBDUFCO-VGZNNGDKSA-N -1 1 692.259 8.011 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000150460620 571506070 /nfs/dbraw/zinc/50/60/70/571506070.db2.gz JKLBPGVAZJASOH-QOISPNJLSA-N -1 1 641.815 7.513 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150460647 571506084 /nfs/dbraw/zinc/50/60/84/571506084.db2.gz LXHVFFQYHQIHKY-KARVHLFVSA-N -1 1 707.874 8.511 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150461442 571506310 /nfs/dbraw/zinc/50/63/10/571506310.db2.gz NWBXBFHSXWCVNY-DZTJFIFISA-N -1 1 631.751 7.098 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150461239 571506356 /nfs/dbraw/zinc/50/63/56/571506356.db2.gz DDNMCDZVBBTUFJ-RIEKNRFYSA-N -1 1 633.795 8.057 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150462768 571506702 /nfs/dbraw/zinc/50/67/02/571506702.db2.gz RXELSXPDPPZQLN-RIEKNRFYSA-N -1 1 682.223 8.013 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150462750 571506767 /nfs/dbraw/zinc/50/67/67/571506767.db2.gz MBJLCGGBLNTLAV-RIEKNRFYSA-N -1 1 706.286 8.401 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463641 571507225 /nfs/dbraw/zinc/50/72/25/571507225.db2.gz JURGPKJLMVEWAT-NSOCNUKWSA-N -1 1 634.179 7.222 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463644 571507269 /nfs/dbraw/zinc/50/72/69/571507269.db2.gz JURGPKJLMVEWAT-ROBPHKHBSA-N -1 1 634.179 7.222 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000150463727 571507574 /nfs/dbraw/zinc/50/75/74/571507574.db2.gz PLCQYOAYRFJKNB-VEZPTTSMSA-N -1 1 636.770 7.606 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150466107 571507872 /nfs/dbraw/zinc/50/78/72/571507872.db2.gz LBDPJTIUJPUCTP-JNYBUSFRSA-N -1 1 666.752 6.722 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150466107 571507875 /nfs/dbraw/zinc/50/78/75/571507875.db2.gz LBDPJTIUJPUCTP-JNYBUSFRSA-N -1 1 666.752 6.722 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150465557 571507918 /nfs/dbraw/zinc/50/79/18/571507918.db2.gz LSQFNIMMUNAZDD-JNYBUSFRSA-N -1 1 706.286 8.401 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150465545 571507925 /nfs/dbraw/zinc/50/79/25/571507925.db2.gz LSQFNIMMUNAZDD-RIEKNRFYSA-N -1 1 706.286 8.401 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150468000 571508252 /nfs/dbraw/zinc/50/82/52/571508252.db2.gz XAOSUQCKQWYDON-KFLIVHAJSA-N -1 1 679.820 7.950 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150469606 571508861 /nfs/dbraw/zinc/50/88/61/571508861.db2.gz ZOWUBCWHELYFQW-IKZPYDRGSA-N -1 1 652.625 8.210 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150469606 571508862 /nfs/dbraw/zinc/50/88/62/571508862.db2.gz ZOWUBCWHELYFQW-IKZPYDRGSA-N -1 1 652.625 8.210 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150471581 571509501 /nfs/dbraw/zinc/50/95/01/571509501.db2.gz VETUPAJPKBPDAA-TXTDGAROSA-N -1 1 664.205 7.306 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150471838 571509690 /nfs/dbraw/zinc/50/96/90/571509690.db2.gz POCQPKNZSQCEOR-VEZPTTSMSA-N -1 1 708.258 7.849 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150472464 571510042 /nfs/dbraw/zinc/51/00/42/571510042.db2.gz DEXMIHRCJXSOCU-ONQGDUAMSA-N -1 1 650.178 7.060 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150472919 571510161 /nfs/dbraw/zinc/51/01/61/571510161.db2.gz OWWMOXSWGKUWEZ-UUALVTFQSA-N -1 1 633.723 6.546 50 30 KKEAMM Cc1ccc(NC=C2C(=O)C(=O)C(C(C)C)c3cc(C)c(-c4c(C)cc5c(c4O)C(=CNc4ccc(C)c(C)c4)C(=O)C(=O)C5C(C)C)c([O-])c32)cc1C ZINC000150473952 571510398 /nfs/dbraw/zinc/51/03/98/571510398.db2.gz LHXHQVQUMQFBOY-NBDJWBGESA-N -1 1 724.898 10.537 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150474500 571510534 /nfs/dbraw/zinc/51/05/34/571510534.db2.gz RIFRTGGQCDRODE-VEZPTTSMSA-N -1 1 691.803 7.335 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150475678 571510678 /nfs/dbraw/zinc/51/06/78/571510678.db2.gz WCWFRLJDUFKFJF-DFXXOVSGSA-N -1 1 663.749 6.555 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150475096 571510710 /nfs/dbraw/zinc/51/07/10/571510710.db2.gz KWDAQVVVVWFOET-DFXXOVSGSA-N -1 1 645.759 6.415 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150481369 571512532 /nfs/dbraw/zinc/51/25/32/571512532.db2.gz IKCPSXMSZSRKNV-IKZPYDRGSA-N -1 1 668.624 7.876 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150483087 571513845 /nfs/dbraw/zinc/51/38/45/571513845.db2.gz GCMDYJPZUKJBDF-VEZPTTSMSA-N -1 1 742.703 8.502 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000150486612 571516600 /nfs/dbraw/zinc/51/66/00/571516600.db2.gz IIGAALXFVCEBDG-MIOXIQPJSA-N -1 1 643.787 7.105 50 30 KKEAMM CCOc1cc(C=Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252614409 572268531 /nfs/dbraw/zinc/26/85/31/572268531.db2.gz JIVKQYLWNNBOQS-UHFFFAOYSA-N -1 1 556.556 7.427 50 30 KKEAMM CC(C)(c1ccc(N=Cc2cc(Br)cc(Br)c2[O-])cc1)c1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1 ZINC000252617746 572268953 /nfs/dbraw/zinc/26/89/53/572268953.db2.gz KZGFCBNQHCKMRJ-UHFFFAOYSA-N -1 1 750.123 9.975 50 30 KKEAMM Cc1ccc2oc(-c3cc(N=Cc4cc(Br)c(O)c(Br)c4[O-])ccc3Cl)nc2c1 ZINC000252624132 572270097 /nfs/dbraw/zinc/27/00/97/572270097.db2.gz PHERLOYLBGDWEJ-UHFFFAOYSA-N -1 1 536.607 7.143 50 30 KKEAMM O=C(Oc1ccc(C=Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)cc1)c1ccc(I)cc1 ZINC000252626002 572270551 /nfs/dbraw/zinc/27/05/51/572270551.db2.gz QUAKBWSSFPVANF-UHFFFAOYSA-N -1 1 560.347 6.775 50 30 KKEAMM CCc1ccc2oc(-c3cccc(N=Cc4cc(Cc5ccccc5)cc(Br)c4[O-])c3)nc2c1 ZINC000252626762 572270628 /nfs/dbraw/zinc/27/06/28/572270628.db2.gz RFCOAAPFGRITSY-UHFFFAOYSA-N -1 1 511.419 7.867 50 30 KKEAMM COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c(Br)c(Br)c1[O-] ZINC000252628857 572271022 /nfs/dbraw/zinc/27/10/22/572271022.db2.gz SZMDEBCBDFUOEH-WZHFLWTNSA-N -1 1 560.267 6.734 50 30 KKEAMM COc1ccc(-c2cc(-c3ccc(F)cc3O)[nH]c2/N=C2\N=C(c3ccc(F)cc3[O-])C=C2c2ccc(OC)cc2)cc1 ZINC000685944580 1070944289 /nfs/dbraw/zinc/94/42/89/1070944289.db2.gz OJKNCNWYNHJLSN-RSHGFABKSA-N -1 1 577.587 7.672 50 30 KKEAMM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)[n-]n1C(C)C)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000824603016 1071284688 /nfs/dbraw/zinc/28/46/88/1071284688.db2.gz USQVQWFHGOATIB-SABYYCHDSA-N -1 1 610.063 5.292 50 30 KKEAMM C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccc(OC)c(O)c4)oc-3c21 ZINC000217874543 1071292934 /nfs/dbraw/zinc/29/29/34/1071292934.db2.gz CXSDZJAIUFOBNK-GOSISDBHSA-N -1 1 500.503 5.276 50 30 biogenic KKEAMM COc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3c(C)nn(Cc4ccc(C)cc4)c3C)c([N+](=O)[O-])c2)cc1 ZINC000254513922 1072860963 /nfs/dbraw/zinc/86/09/63/1072860963.db2.gz NWMZWLGUIZJSJP-UHFFFAOYSA-N -1 1 548.625 5.020 50 30 KKEAMM Cc1ccc([N-]S(=O)(=O)c2ccc(N=NC(C)CCc3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)c(C)c1 ZINC000254617418 1072867709 /nfs/dbraw/zinc/86/77/09/1072867709.db2.gz RYDQTQWPWVXEEB-UHFFFAOYSA-N -1 1 510.572 5.162 50 30 KKEAMM COc1ccc2cc(C(C)N=Nc3ccc(S(=O)(=O)Nc4ccccc4C(=O)[O-])cc3[N+](=O)[O-])ccc2c1 ZINC000254769070 1072878538 /nfs/dbraw/zinc/87/85/38/1072878538.db2.gz HTKFUDZBVHKDAR-UHFFFAOYSA-N -1 1 534.550 5.092 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(N(C)C)cc2)nc1C ZINC000000702946 551529781 /nfs/dbraw/zinc/52/97/81/551529781.db2.gz YYQWJUGVTGCZIH-JOCHJYFZSA-N -1 1 501.564 5.249 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000000702932 551529855 /nfs/dbraw/zinc/52/98/55/551529855.db2.gz QMQFVLSPXSPSLS-HXUWFJFHSA-N -1 1 527.385 6.490 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000000703137 551530763 /nfs/dbraw/zinc/53/07/63/551530763.db2.gz PZLLSQDSCDPDGB-XMMPIXPASA-N -1 1 514.534 6.363 50 30 KKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001035428 551598541 /nfs/dbraw/zinc/59/85/41/551598541.db2.gz CSCWVRGQKLMHMC-OAQYLSRUSA-N -1 1 508.043 5.925 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccncc2)cc1 ZINC000001268781 551634399 /nfs/dbraw/zinc/63/43/99/551634399.db2.gz ONZSTRMVESGJJF-WKRVVKTRSA-N -1 1 523.633 6.145 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001321713 551641782 /nfs/dbraw/zinc/64/17/82/551641782.db2.gz KDEJRUYPPHGUQM-WKRVVKTRSA-N -1 1 554.599 5.247 50 30 biogenic KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001446892 551674266 /nfs/dbraw/zinc/67/42/66/551674266.db2.gz JFKKVWKRAIPTOI-DEOSSOPVSA-N -1 1 546.601 5.422 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000001450212 551675174 /nfs/dbraw/zinc/67/51/74/551675174.db2.gz ZZLNEZNJEGZHQZ-HXUWFJFHSA-N -1 1 525.380 5.833 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000001450345 551675329 /nfs/dbraw/zinc/67/53/29/551675329.db2.gz OERCUOUEMVJCEF-XMMPIXPASA-N -1 1 528.586 5.491 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000001451421 551676054 /nfs/dbraw/zinc/67/60/54/551676054.db2.gz JKLJUPQRECJPLS-AREMUKBSSA-N -1 1 544.629 6.030 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001451686 551676361 /nfs/dbraw/zinc/67/63/61/551676361.db2.gz XADQUDKOVRVWSH-DEOSSOPVSA-N -1 1 564.591 5.643 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001451684 551676411 /nfs/dbraw/zinc/67/64/11/551676411.db2.gz QJLWBUDECCDTNM-DEOSSOPVSA-N -1 1 534.565 5.634 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000001451972 551676444 /nfs/dbraw/zinc/67/64/44/551676444.db2.gz WIYCXKMBRPSIAF-FQEVSTJZSA-N -1 1 525.380 5.833 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000001451973 551676476 /nfs/dbraw/zinc/67/64/76/551676476.db2.gz WIYCXKMBRPSIAF-HXUWFJFHSA-N -1 1 525.380 5.833 50 30 KKEAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccs2)cc1 ZINC000001457556 551677053 /nfs/dbraw/zinc/67/70/53/551677053.db2.gz MLQHAYFWNWAGKS-SONOPUAISA-N -1 1 516.619 5.831 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000001479907 551681267 /nfs/dbraw/zinc/68/12/67/551681267.db2.gz SNIQVJVQMGPYOZ-DEOSSOPVSA-N -1 1 544.585 5.273 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001480131 551681439 /nfs/dbraw/zinc/68/14/39/551681439.db2.gz XVUMZUWTPORCHH-XMMPIXPASA-N -1 1 532.574 5.114 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001480131 551681442 /nfs/dbraw/zinc/68/14/42/551681442.db2.gz XVUMZUWTPORCHH-XMMPIXPASA-N -1 1 532.574 5.114 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)o1 ZINC000001479960 551681560 /nfs/dbraw/zinc/68/15/60/551681560.db2.gz DEFINGCPYAFRPV-OAQYLSRUSA-N -1 1 523.408 6.360 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001480841 551682328 /nfs/dbraw/zinc/68/23/28/551682328.db2.gz QJKCYBDBLHNVRH-XMMPIXPASA-N -1 1 548.592 5.861 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001480841 551682330 /nfs/dbraw/zinc/68/23/30/551682330.db2.gz QJKCYBDBLHNVRH-XMMPIXPASA-N -1 1 548.592 5.861 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001480874 551682384 /nfs/dbraw/zinc/68/23/84/551682384.db2.gz CCODETKKUHIECG-DEOSSOPVSA-N -1 1 534.565 5.634 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482295 551682736 /nfs/dbraw/zinc/68/27/36/551682736.db2.gz ADLCVEBPCULLPK-XMMPIXPASA-N -1 1 530.602 5.722 50 30 KKEAMM CC1(C)SC(=S)N(/N=C/c2c(O)ccc3ccccc32)[C@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002266714 552085391 /nfs/dbraw/zinc/08/53/91/552085391.db2.gz UQUSFDNWGMJVLL-HTHFWCIQSA-N -1 1 535.478 6.548 50 30 KKEAMM CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)cc(Br)c2[O-])cc1 ZINC000002266048 552085398 /nfs/dbraw/zinc/08/53/98/552085398.db2.gz IYQBQAHNBXOZQL-LSHDLFTRSA-N -1 1 510.255 6.018 50 30 KKEAMM Cc1cc(C)nc(N=C([N-]S(=O)(=O)c2c(C)c(Cl)c(C)nc2Cl)NCc2ccccc2Cl)n1 ZINC000003669834 552410904 /nfs/dbraw/zinc/41/09/04/552410904.db2.gz WQMUIQQYYZNRFO-UHFFFAOYSA-N -1 1 527.865 5.012 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000003979674 552424434 /nfs/dbraw/zinc/42/44/34/552424434.db2.gz NMAPYGWAJXLQLW-HHHXNRCGSA-N -1 1 538.625 6.378 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000003979674 552424435 /nfs/dbraw/zinc/42/44/35/552424435.db2.gz NMAPYGWAJXLQLW-HHHXNRCGSA-N -1 1 538.625 6.378 50 30 KKEAMM CCCC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)Nc2cccc(C#N)c2)c([O-])c1 ZINC000004016063 552427039 /nfs/dbraw/zinc/42/70/39/552427039.db2.gz WFZMHTNXSRJPOE-JGCGQSQUSA-N -1 1 598.788 8.859 50 30 KKEAMM O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)c1c(=O)[n-]c(SCc3cccc([N+](=O)[O-])c3)nc1N2 ZINC000004793708 552485519 /nfs/dbraw/zinc/48/55/19/552485519.db2.gz BCDWTAMXNYJAIV-IBGZPJMESA-N -1 1 539.411 5.297 50 30 KKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793749 552485617 /nfs/dbraw/zinc/48/56/17/552485617.db2.gz FFWHPRQGTBZSDE-OAQYLSRUSA-N -1 1 518.595 5.592 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000005355186 552498618 /nfs/dbraw/zinc/49/86/18/552498618.db2.gz XMASRHZDIGOMCJ-QHCPKHFHSA-N -1 1 566.632 5.135 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355435 552498682 /nfs/dbraw/zinc/49/86/82/552498682.db2.gz KOPJVESHNJQPNM-VWLOTQADSA-N -1 1 576.671 6.073 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000005355629 552498940 /nfs/dbraw/zinc/49/89/40/552498940.db2.gz ZFIFLOYWKRSBTQ-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000005355629 552498942 /nfs/dbraw/zinc/49/89/42/552498942.db2.gz ZFIFLOYWKRSBTQ-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355891 552499068 /nfs/dbraw/zinc/49/90/68/552499068.db2.gz UHNPQBGQBUFRRV-JOCHJYFZSA-N -1 1 520.607 5.508 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355891 552499070 /nfs/dbraw/zinc/49/90/70/552499070.db2.gz UHNPQBGQBUFRRV-JOCHJYFZSA-N -1 1 520.607 5.508 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000005357045 552499198 /nfs/dbraw/zinc/49/91/98/552499198.db2.gz IAICEXZNVAXQLI-XMMPIXPASA-N -1 1 578.643 5.302 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000005919148 552512294 /nfs/dbraw/zinc/51/22/94/552512294.db2.gz IXMZWLOGYMLAOV-XMMPIXPASA-N -1 1 564.660 5.907 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000005919080 552512483 /nfs/dbraw/zinc/51/24/83/552512483.db2.gz SIMDAZOLCCXQCK-DEOSSOPVSA-N -1 1 546.645 5.983 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000005919080 552512485 /nfs/dbraw/zinc/51/24/85/552512485.db2.gz SIMDAZOLCCXQCK-DEOSSOPVSA-N -1 1 546.645 5.983 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1C ZINC000005919788 552512634 /nfs/dbraw/zinc/51/26/34/552512634.db2.gz BHPGRFBIUKQASP-QFIPXVFZSA-N -1 1 536.581 5.423 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000005927768 552513064 /nfs/dbraw/zinc/51/30/64/552513064.db2.gz QGTNYPHTZGXBSP-VWLOTQADSA-N -1 1 560.672 6.408 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000005927666 552513072 /nfs/dbraw/zinc/51/30/72/552513072.db2.gz JJCWGDOGMGWAOV-XMMPIXPASA-N -1 1 548.661 6.242 50 30 KKEAMM 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/nfs/dbraw/zinc/12/04/31/553120431.db2.gz CDKLQMZWJMLQDO-NRFANRHFSA-N -1 1 521.392 5.850 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000008744166 553133973 /nfs/dbraw/zinc/13/39/73/553133973.db2.gz QOMICXQFMDFZTH-QHCPKHFHSA-N -1 1 504.564 5.642 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000008816757 553152068 /nfs/dbraw/zinc/15/20/68/553152068.db2.gz UMNFBHAMYHPTFO-NRFANRHFSA-N -1 1 506.605 5.775 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000008817821 553153118 /nfs/dbraw/zinc/15/31/18/553153118.db2.gz GTUFXHOWUDRJAJ-NRFANRHFSA-N -1 1 506.580 5.118 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000008817821 553153120 /nfs/dbraw/zinc/15/31/20/553153120.db2.gz GTUFXHOWUDRJAJ-NRFANRHFSA-N -1 1 506.580 5.118 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)cc1C ZINC000008827729 553156709 /nfs/dbraw/zinc/15/67/09/553156709.db2.gz FIAGTFMLYRGFCU-XMMPIXPASA-N -1 1 502.567 6.152 50 30 KKEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000008827815 553156893 /nfs/dbraw/zinc/15/68/93/553156893.db2.gz PHBHYFJOQGIJNE-JOCHJYFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000008827815 553156896 /nfs/dbraw/zinc/15/68/96/553156896.db2.gz PHBHYFJOQGIJNE-JOCHJYFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000008827816 553156968 /nfs/dbraw/zinc/15/69/68/553156968.db2.gz PHBHYFJOQGIJNE-QFIPXVFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000008827816 553156969 /nfs/dbraw/zinc/15/69/69/553156969.db2.gz PHBHYFJOQGIJNE-QFIPXVFZSA-N -1 1 501.520 5.304 50 30 KKEAMM [O-]c1ccc(Cl)cc1/C=N/c1nc(-c2ccc(Cl)cc2)cn1/N=C/c1ccc(Cl)cc1Cl ZINC000008856881 553167744 /nfs/dbraw/zinc/16/77/44/553167744.db2.gz XBBABBKWETXBQY-VBNCLUCLSA-N -1 1 504.204 7.502 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008894188 553177501 /nfs/dbraw/zinc/17/75/01/553177501.db2.gz BZWBXBPTOBMTNV-HSZRJFAPSA-N -1 1 515.547 5.558 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008894188 553177503 /nfs/dbraw/zinc/17/75/03/553177503.db2.gz BZWBXBPTOBMTNV-HSZRJFAPSA-N -1 1 515.547 5.558 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000008894966 553178149 /nfs/dbraw/zinc/17/81/49/553178149.db2.gz BXFUDEQXPIFYEQ-DEOSSOPVSA-N -1 1 519.022 6.666 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008900126 553181133 /nfs/dbraw/zinc/18/11/33/553181133.db2.gz CNEMXBFCHMHMFC-QHCPKHFHSA-N -1 1 502.592 6.368 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008900126 553181136 /nfs/dbraw/zinc/18/11/36/553181136.db2.gz CNEMXBFCHMHMFC-QHCPKHFHSA-N -1 1 502.592 6.368 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008904791 553183711 /nfs/dbraw/zinc/18/37/11/553183711.db2.gz ZFRWCHNKHGKXSV-HSZRJFAPSA-N -1 1 504.539 5.626 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000008905342 553183746 /nfs/dbraw/zinc/18/37/46/553183746.db2.gz ZOIOQNRUGJSLKE-QFIPXVFZSA-N -1 1 506.605 5.775 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008914185 553185761 /nfs/dbraw/zinc/18/57/61/553185761.db2.gz XCESBQWECVJYBT-VWLOTQADSA-N -1 1 514.603 5.967 50 30 KKEAMM C=CCc1ccc(OCCOc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)c(OC)c1 ZINC000008915972 553186561 /nfs/dbraw/zinc/18/65/61/553186561.db2.gz CUVQJROASJMLDI-MOSHPQCFSA-N -1 1 506.443 5.133 50 30 KKEAMM CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008951399 553193529 /nfs/dbraw/zinc/19/35/29/553193529.db2.gz PZGBJFVDUONDMV-HPMPDSITSA-N -1 1 515.513 6.411 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008973649 553195275 /nfs/dbraw/zinc/19/52/75/553195275.db2.gz NDVSPDWYBRXREQ-DEOSSOPVSA-N -1 1 502.567 6.316 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008973649 553195278 /nfs/dbraw/zinc/19/52/78/553195278.db2.gz NDVSPDWYBRXREQ-DEOSSOPVSA-N -1 1 502.567 6.316 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008973858 553195441 /nfs/dbraw/zinc/19/54/41/553195441.db2.gz NHIZNYAIWCGHPF-JOCHJYFZSA-N -1 1 501.520 5.386 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000008973788 553195518 /nfs/dbraw/zinc/19/55/18/553195518.db2.gz ONCLJUSJTICOIZ-XMMPIXPASA-N -1 1 518.566 6.016 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008974033 553195726 /nfs/dbraw/zinc/19/57/26/553195726.db2.gz IVFVURYYCMLERU-DEOSSOPVSA-N -1 1 519.022 6.748 50 30 KKEAMM C=CCc1ccc(OCCOc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2OCC)c(OC)c1 ZINC000008984241 553196264 /nfs/dbraw/zinc/19/62/64/553196264.db2.gz HMGPOJGNFRKVDG-KGENOOAVSA-N -1 1 506.045 5.422 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000008996495 553197169 /nfs/dbraw/zinc/19/71/69/553197169.db2.gz KTFDEUHAUAKHAJ-HSZRJFAPSA-N -1 1 504.539 5.495 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000008996495 553197171 /nfs/dbraw/zinc/19/71/71/553197171.db2.gz KTFDEUHAUAKHAJ-HSZRJFAPSA-N -1 1 504.539 5.495 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000008996400 553197183 /nfs/dbraw/zinc/19/71/83/553197183.db2.gz SRZBFVQEZVOOGX-JOCHJYFZSA-N -1 1 520.563 5.260 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000008996884 553197427 /nfs/dbraw/zinc/19/74/27/553197427.db2.gz HYNKNKVRGWVTCC-QHCPKHFHSA-N -1 1 504.995 6.358 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)ccc2OC)c1 ZINC000008996661 553197481 /nfs/dbraw/zinc/19/74/81/553197481.db2.gz CJVKOFGOSGUZRM-DEOSSOPVSA-N -1 1 516.575 5.413 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000008997033 553197722 /nfs/dbraw/zinc/19/77/22/553197722.db2.gz BNHAIOBVIIXEPA-DEOSSOPVSA-N -1 1 500.576 5.659 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000009008302 553198835 /nfs/dbraw/zinc/19/88/35/553198835.db2.gz QGSXKBBLJNKNDD-OAQYLSRUSA-N -1 1 506.580 5.037 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009043473 553202872 /nfs/dbraw/zinc/20/28/72/553202872.db2.gz NWOMWZGDDXRFMX-QFIPXVFZSA-N -1 1 520.607 5.508 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009043473 553202873 /nfs/dbraw/zinc/20/28/73/553202873.db2.gz NWOMWZGDDXRFMX-QFIPXVFZSA-N -1 1 520.607 5.508 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009043705 553202926 /nfs/dbraw/zinc/20/29/26/553202926.db2.gz ACGHNNZNXWBNSY-OAQYLSRUSA-N -1 1 506.580 5.118 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000009043705 553202927 /nfs/dbraw/zinc/20/29/27/553202927.db2.gz ACGHNNZNXWBNSY-OAQYLSRUSA-N -1 1 506.580 5.118 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009046471 553204049 /nfs/dbraw/zinc/20/40/49/553204049.db2.gz XAHUHFDEURZQDV-HSZRJFAPSA-N -1 1 515.547 5.613 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009067287 553206430 /nfs/dbraw/zinc/20/64/30/553206430.db2.gz UIKMQHMIKDCUPA-HXUWFJFHSA-N -1 1 525.026 5.972 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009067287 553206431 /nfs/dbraw/zinc/20/64/31/553206431.db2.gz UIKMQHMIKDCUPA-HXUWFJFHSA-N -1 1 525.026 5.972 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009070428 553207024 /nfs/dbraw/zinc/20/70/24/553207024.db2.gz QVEBURRQPHXAFU-JOCHJYFZSA-N -1 1 506.536 5.088 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000009086249 553208276 /nfs/dbraw/zinc/20/82/76/553208276.db2.gz JCQPFSYLDNEHMP-QFIPXVFZSA-N -1 1 517.887 6.159 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000009110536 553210010 /nfs/dbraw/zinc/21/00/10/553210010.db2.gz XRIZGAXMNHLBEE-HXUWFJFHSA-N -1 1 502.832 6.050 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000009123532 553212345 /nfs/dbraw/zinc/21/23/45/553212345.db2.gz JQULZTSBYZYPQM-QFIPXVFZSA-N -1 1 503.511 5.743 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009123761 553212588 /nfs/dbraw/zinc/21/25/88/553212588.db2.gz FJWHJFQSLUIBSO-RUZDIDTESA-N -1 1 516.594 6.740 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000009124419 553212854 /nfs/dbraw/zinc/21/28/54/553212854.db2.gz BNKTYIZDSIBFQE-DMZKTXOQSA-N -1 1 504.589 5.473 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009124399 553212862 /nfs/dbraw/zinc/21/28/62/553212862.db2.gz NCJOJARWCHXDDD-JBEBIEQOSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009124399 553212863 /nfs/dbraw/zinc/21/28/63/553212863.db2.gz NCJOJARWCHXDDD-JBEBIEQOSA-N -1 1 516.550 5.550 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009135643 553213432 /nfs/dbraw/zinc/21/34/32/553213432.db2.gz AQEGTNHDCMRSMR-DEOSSOPVSA-N -1 1 500.576 5.877 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000009160756 553215606 /nfs/dbraw/zinc/21/56/06/553215606.db2.gz UUOHTRFLHDMZFW-MHZLTWQESA-N -1 1 510.546 6.347 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009186809 553217899 /nfs/dbraw/zinc/21/78/99/553217899.db2.gz YLSVJLTYAQARPM-DEOSSOPVSA-N -1 1 518.591 6.168 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccnc1)c1ccc(F)cc1 ZINC000009209491 553220245 /nfs/dbraw/zinc/22/02/45/553220245.db2.gz PFBFYOSZGYUSEO-FQEVSTJZSA-N -1 1 504.568 5.147 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009234112 553224769 /nfs/dbraw/zinc/22/47/69/553224769.db2.gz JTXMYGZLJVJTGN-NRFANRHFSA-N -1 1 508.577 5.167 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000009234508 553224908 /nfs/dbraw/zinc/22/49/08/553224908.db2.gz BSBGAGJEKSAPKA-OAHLLOKOSA-N -1 1 509.392 5.389 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2OC)cc1 ZINC000009234314 553224991 /nfs/dbraw/zinc/22/49/91/553224991.db2.gz NXRCHPFVROCBDH-VWLOTQADSA-N -1 1 514.603 6.103 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009240615 553226174 /nfs/dbraw/zinc/22/61/74/553226174.db2.gz RQYFQOORJHTBID-NRFANRHFSA-N -1 1 508.577 5.167 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009240802 553226185 /nfs/dbraw/zinc/22/61/85/553226185.db2.gz QPPRYJRCVXHTNP-QHCPKHFHSA-N -1 1 520.994 6.058 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009240802 553226186 /nfs/dbraw/zinc/22/61/86/553226186.db2.gz QPPRYJRCVXHTNP-QHCPKHFHSA-N -1 1 520.994 6.058 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009240846 553226327 /nfs/dbraw/zinc/22/63/27/553226327.db2.gz PSNHAGJHCQUAGN-XMMPIXPASA-N -1 1 500.576 5.713 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000009243707 553226876 /nfs/dbraw/zinc/22/68/76/553226876.db2.gz BYTKEMAZOVDQJD-MZNJEOGPSA-N -1 1 504.608 5.818 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009244318 553227043 /nfs/dbraw/zinc/22/70/43/553227043.db2.gz KMDGGLDZOZWADX-VWLOTQADSA-N -1 1 514.603 6.049 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009244139 553227099 /nfs/dbraw/zinc/22/70/99/553227099.db2.gz DJKFJSZJWQBRRF-HXUWFJFHSA-N -1 1 508.571 5.458 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009244139 553227101 /nfs/dbraw/zinc/22/71/01/553227101.db2.gz DJKFJSZJWQBRRF-HXUWFJFHSA-N -1 1 508.571 5.458 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000009271410 553230805 /nfs/dbraw/zinc/23/08/05/553230805.db2.gz WMSWXAILMOKEEY-HSZRJFAPSA-N -1 1 502.548 5.105 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009271512 553231075 /nfs/dbraw/zinc/23/10/75/553231075.db2.gz HCYBKTWHDVAOAH-QFIPXVFZSA-N -1 1 520.607 5.461 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000009271632 553231341 /nfs/dbraw/zinc/23/13/41/553231341.db2.gz IVSYAGHANLVPPI-HXUWFJFHSA-N -1 1 513.413 5.704 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009273706 553232220 /nfs/dbraw/zinc/23/22/20/553232220.db2.gz UDEMTDICGLMLOO-DEOSSOPVSA-N -1 1 516.575 5.495 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009280166 553232782 /nfs/dbraw/zinc/23/27/82/553232782.db2.gz ABTBBOOURYHACK-QFIPXVFZSA-N -1 1 508.958 6.270 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009280180 553233050 /nfs/dbraw/zinc/23/30/50/553233050.db2.gz QZWWASUOQJYBOH-DEOSSOPVSA-N -1 1 518.566 6.016 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000009292581 553235128 /nfs/dbraw/zinc/23/51/28/553235128.db2.gz SERRJOYAMJLVNS-LFPIHBKWSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000009292581 553235129 /nfs/dbraw/zinc/23/51/29/553235129.db2.gz SERRJOYAMJLVNS-LFPIHBKWSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000009292583 553235158 /nfs/dbraw/zinc/23/51/58/553235158.db2.gz SERRJOYAMJLVNS-BSEYFRJRSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000009292583 553235159 /nfs/dbraw/zinc/23/51/59/553235159.db2.gz 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RVJIVVOVNMYQLQ-JOCHJYFZSA-N -1 1 520.607 5.427 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000013548583 553469966 /nfs/dbraw/zinc/46/99/66/553469966.db2.gz KGYOAFFMLAKHEC-DEOSSOPVSA-N -1 1 500.620 6.841 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(O)c(OC)c2)c1 ZINC000013550142 553470102 /nfs/dbraw/zinc/47/01/02/553470102.db2.gz SLCJGXUKUYFWIR-DEOSSOPVSA-N -1 1 516.575 5.419 50 30 KKEAMM Cc1ccc(SC=C([O-])NC(=Nc2nc(C)cc(C)n2)NCCc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000014671534 553518959 /nfs/dbraw/zinc/51/89/59/553518959.db2.gz FTOAMBXMCJVDJG-UHFFFAOYSA-N -1 1 507.063 5.456 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000016701032 553574780 /nfs/dbraw/zinc/57/47/80/553574780.db2.gz WUIUQXBVCZQHKB-OAQYLSRUSA-N -1 1 522.554 5.033 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016729866 553575950 /nfs/dbraw/zinc/57/59/50/553575950.db2.gz KJYYSLAXXOKQOM-HSZRJFAPSA-N -1 1 505.640 6.106 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccccc2F)nc1C ZINC000016730398 553576529 /nfs/dbraw/zinc/57/65/29/553576529.db2.gz ALOOPPQKFMMITO-FQEVSTJZSA-N -1 1 510.518 5.164 50 30 KKEAMM COc1cccc2cc(C([O-])=C3C(=O)C(=O)N(c4nc(C)c(C(C)=O)s4)[C@@H]3c3ccc(C)cc3)oc21 ZINC000016742175 553580134 /nfs/dbraw/zinc/58/01/34/553580134.db2.gz GEIGJCKABBLXKG-OAQYLSRUSA-N -1 1 502.548 5.500 50 30 KKEAMM COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nc(C)c(C(C)=O)s4)[C@@H]3c3ccc(C)cc3)oc21 ZINC000016742175 553580137 /nfs/dbraw/zinc/58/01/37/553580137.db2.gz GEIGJCKABBLXKG-OAQYLSRUSA-N -1 1 502.548 5.500 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000016805431 553582864 /nfs/dbraw/zinc/58/28/64/553582864.db2.gz AZYAVCLMOAJJQI-GOSISDBHSA-N -1 1 500.935 5.122 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000016805527 553582961 /nfs/dbraw/zinc/58/29/61/553582961.db2.gz YGFOVXFMUWQLDA-QFIPXVFZSA-N -1 1 522.598 5.982 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000016805527 553582964 /nfs/dbraw/zinc/58/29/64/553582964.db2.gz YGFOVXFMUWQLDA-QFIPXVFZSA-N -1 1 522.598 5.982 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000016805512 553583026 /nfs/dbraw/zinc/58/30/26/553583026.db2.gz XVEWMIFIMNHMQW-NRFANRHFSA-N -1 1 506.555 5.333 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000016807378 553583414 /nfs/dbraw/zinc/58/34/14/553583414.db2.gz DXRZUGNFOFOZCH-AREMUKBSSA-N -1 1 527.646 6.660 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc1OC ZINC000016959802 553585578 /nfs/dbraw/zinc/58/55/78/553585578.db2.gz BNMVRVLRDWJNJR-NRFANRHFSA-N -1 1 510.015 5.297 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c1[C@H]2c1ccc(F)cc1 ZINC000017242286 553590888 /nfs/dbraw/zinc/59/08/88/553590888.db2.gz VPNRYUBQMKABNP-FQEVSTJZSA-N -1 1 506.559 5.722 50 30 KKEAMM COc1ccc2[nH]cc(CCNC(=Nc3nc(C)cc(C)n3)NC([O-])=CSc3ccc(Cl)cc3)c2c1 ZINC000018223141 553610776 /nfs/dbraw/zinc/61/07/76/553610776.db2.gz LPLQBXZLOBNLSJ-UHFFFAOYSA-N -1 1 523.062 5.156 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000020101171 553687140 /nfs/dbraw/zinc/68/71/40/553687140.db2.gz DTAIJNJOQYLBEA-HSZRJFAPSA-N -1 1 514.416 5.796 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000096022102 553719646 /nfs/dbraw/zinc/71/96/46/553719646.db2.gz WZPRDWMTJSFJHO-XMMPIXPASA-N -1 1 560.672 6.192 50 30 KKEAMM CC(C)(C)c1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(C(C)(C)C)c1O ZINC000097947952 553790013 /nfs/dbraw/zinc/79/00/13/553790013.db2.gz PNNVCVLIIPERJT-GDLZYMKVSA-N -1 1 546.708 6.995 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000097951687 553810603 /nfs/dbraw/zinc/81/06/03/553810603.db2.gz RNWAFVXLEFPUEV-QFIPXVFZSA-N -1 1 540.797 6.062 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097951799 553811471 /nfs/dbraw/zinc/81/14/71/553811471.db2.gz KUXLOLRLRNEDQJ-QFIPXVFZSA-N -1 1 522.604 5.557 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097951780 553811521 /nfs/dbraw/zinc/81/15/21/553811521.db2.gz FKBIRFWHBOCPGF-QFIPXVFZSA-N -1 1 537.410 6.598 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097951840 553811783 /nfs/dbraw/zinc/81/17/83/553811783.db2.gz HUYHSAPZWPPJMG-VWLOTQADSA-N -1 1 532.593 6.324 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097951840 553811785 /nfs/dbraw/zinc/81/17/85/553811785.db2.gz HUYHSAPZWPPJMG-VWLOTQADSA-N -1 1 532.593 6.324 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952194 553813851 /nfs/dbraw/zinc/81/38/51/553813851.db2.gz DWPCHPRUQJAFJB-HHHXNRCGSA-N -1 1 540.641 6.605 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952195 553813857 /nfs/dbraw/zinc/81/38/57/553813857.db2.gz DWPCHPRUQJAFJB-MHZLTWQESA-N -1 1 540.641 6.605 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952251 553814109 /nfs/dbraw/zinc/81/41/09/553814109.db2.gz XXUJPEIJDDMEMV-MHZLTWQESA-N -1 1 542.657 6.829 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000097952220 553814121 /nfs/dbraw/zinc/81/41/21/553814121.db2.gz PZACVEUFLPZCKS-RUZDIDTESA-N -1 1 530.602 5.667 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952229 553814199 /nfs/dbraw/zinc/81/41/99/553814199.db2.gz VBBXCKHMRUVKPI-SANMLTNESA-N -1 1 526.614 6.215 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000097952281 553814403 /nfs/dbraw/zinc/81/44/03/553814403.db2.gz ODTFGXBFZRAKGI-RUZDIDTESA-N -1 1 533.049 7.082 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000097952281 553814405 /nfs/dbraw/zinc/81/44/05/553814405.db2.gz ODTFGXBFZRAKGI-RUZDIDTESA-N -1 1 533.049 7.082 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097952519 553816283 /nfs/dbraw/zinc/81/62/83/553816283.db2.gz XKBOLMMSDLSLTR-FQEVSTJZSA-N -1 1 525.449 6.466 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097952571 553816699 /nfs/dbraw/zinc/81/66/99/553816699.db2.gz XVDSUYLHSCENFV-QHCPKHFHSA-N -1 1 549.446 6.413 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097952571 553816700 /nfs/dbraw/zinc/81/67/00/553816700.db2.gz XVDSUYLHSCENFV-QHCPKHFHSA-N -1 1 549.446 6.413 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097953007 553818491 /nfs/dbraw/zinc/81/84/91/553818491.db2.gz QGFHJXVWMHBNAI-VWLOTQADSA-N -1 1 528.586 5.421 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000097954985 553827171 /nfs/dbraw/zinc/82/71/71/553827171.db2.gz DEUXHZJIKRCGGA-DEOSSOPVSA-N -1 1 548.661 6.207 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000097954985 553827173 /nfs/dbraw/zinc/82/71/73/553827173.db2.gz DEUXHZJIKRCGGA-DEOSSOPVSA-N -1 1 548.661 6.207 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097955012 553827477 /nfs/dbraw/zinc/82/74/77/553827477.db2.gz JPMUENKNBUIAFD-LFPIHBKWSA-N -1 1 543.557 5.319 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955018 553827500 /nfs/dbraw/zinc/82/75/00/553827500.db2.gz LACSRIVUSLOSCQ-HPGBDJQBSA-N -1 1 588.657 6.729 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955018 553827501 /nfs/dbraw/zinc/82/75/01/553827501.db2.gz LACSRIVUSLOSCQ-HPGBDJQBSA-N -1 1 588.657 6.729 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955031 553827525 /nfs/dbraw/zinc/82/75/25/553827525.db2.gz BFIQYJCVKFNWGX-QTEAWJPNSA-N -1 1 616.711 7.509 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955031 553827527 /nfs/dbraw/zinc/82/75/27/553827527.db2.gz BFIQYJCVKFNWGX-QTEAWJPNSA-N -1 1 616.711 7.509 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097955045 553827940 /nfs/dbraw/zinc/82/79/40/553827940.db2.gz IEGORPQARUCHAZ-SSEXGKCCSA-N -1 1 668.724 6.326 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097955065 553827985 /nfs/dbraw/zinc/82/79/85/553827985.db2.gz CVIVALUQPFKQKY-RUZDIDTESA-N -1 1 606.653 5.146 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097955070 553828361 /nfs/dbraw/zinc/82/83/61/553828361.db2.gz YSFDQBBREMBCPF-OZAJXLCCSA-N -1 1 623.481 5.888 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000097955073 553828433 /nfs/dbraw/zinc/82/84/33/553828433.db2.gz YFNVHVSNWPDBPD-AKJBCIBTSA-N -1 1 542.613 5.810 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000097955100 553828746 /nfs/dbraw/zinc/82/87/46/553828746.db2.gz TZWIOFFRPCDVQH-NPMABZOXSA-N -1 1 537.424 6.709 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000097955102 553828751 /nfs/dbraw/zinc/82/87/51/553828751.db2.gz WGCVCFRTSUQHMQ-OQRWROFFSA-N -1 1 572.639 5.906 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097955173 553829482 /nfs/dbraw/zinc/82/94/82/553829482.db2.gz KQPYGYLAGMSVCU-VOIUYBSRSA-N -1 1 560.628 5.299 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097955173 553829485 /nfs/dbraw/zinc/82/94/85/553829485.db2.gz KQPYGYLAGMSVCU-VOIUYBSRSA-N -1 1 560.628 5.299 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955254 553830324 /nfs/dbraw/zinc/83/03/24/553830324.db2.gz FNMAQXFMRKZTMM-MQNRADLISA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955254 553830328 /nfs/dbraw/zinc/83/03/28/553830328.db2.gz FNMAQXFMRKZTMM-MQNRADLISA-N -1 1 547.032 6.455 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955583 553831582 /nfs/dbraw/zinc/83/15/82/553831582.db2.gz BMTLFIBQJUPEDI-XRHLQHRESA-N -1 1 538.625 6.276 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(O)cc2)s1 ZINC000027529800 553831621 /nfs/dbraw/zinc/83/16/21/553831621.db2.gz SRKMRNJDRDZIAM-DEOSSOPVSA-N -1 1 513.575 5.222 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097955604 553832009 /nfs/dbraw/zinc/83/20/09/553832009.db2.gz HINZALNEPYMKJS-QMTYFTJSSA-N -1 1 542.613 5.810 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000097955653 553832423 /nfs/dbraw/zinc/83/24/23/553832423.db2.gz NHZNUWPSSODBAE-LMKMVOKYSA-N -1 1 541.585 5.928 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000097955701 553833136 /nfs/dbraw/zinc/83/31/36/553833136.db2.gz UYOVYQNSPYFGNZ-LMKMVOKYSA-N -1 1 531.033 6.673 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955735 553833638 /nfs/dbraw/zinc/83/36/38/553833638.db2.gz VLSDSOWSMUFISA-AFJIDDCJSA-N -1 1 568.695 7.198 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000097955812 553834129 /nfs/dbraw/zinc/83/41/29/553834129.db2.gz FXYQDBRJQREDIP-ZLOXQWCVSA-N -1 1 547.976 5.964 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000097955811 553834324 /nfs/dbraw/zinc/83/43/24/553834324.db2.gz FXYQDBRJQREDIP-ZAMGYDSWSA-N -1 1 547.976 5.964 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000097956272 553837325 /nfs/dbraw/zinc/83/73/25/553837325.db2.gz OKSDWNLDRDSHEN-XMMPIXPASA-N -1 1 532.021 6.170 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097956534 553839432 /nfs/dbraw/zinc/83/94/32/553839432.db2.gz HATVPPTZTQFWCZ-DLUDVSRJSA-N -1 1 544.585 5.125 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097956534 553839433 /nfs/dbraw/zinc/83/94/33/553839433.db2.gz HATVPPTZTQFWCZ-DLUDVSRJSA-N -1 1 544.585 5.125 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097956846 553842658 /nfs/dbraw/zinc/84/26/58/553842658.db2.gz SPAOKHAKLBCRAE-HSZRJFAPSA-N -1 1 548.661 6.026 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000097956879 553842984 /nfs/dbraw/zinc/84/29/84/553842984.db2.gz KOTKKWBOEHDFQG-MUUNZHRXSA-N -1 1 594.689 6.773 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097966812 553910728 /nfs/dbraw/zinc/91/07/28/553910728.db2.gz AKIYGPRAKYAXMI-QFIPXVFZSA-N -1 1 553.409 6.380 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000097966887 553911576 /nfs/dbraw/zinc/91/15/76/553911576.db2.gz NMZIUOXAAOTMEZ-QFIPXVFZSA-N -1 1 555.052 6.160 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000097967106 553913828 /nfs/dbraw/zinc/91/38/28/553913828.db2.gz SBCXRRNKZMSILS-LJQANCHMSA-N -1 1 557.422 5.101 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000097967105 553913922 /nfs/dbraw/zinc/91/39/22/553913922.db2.gz SBCXRRNKZMSILS-IBGZPJMESA-N -1 1 557.422 5.101 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097967161 553914332 /nfs/dbraw/zinc/91/43/32/553914332.db2.gz UCENGCFIEIWUDP-MHZLTWQESA-N -1 1 614.676 6.013 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097967222 553915290 /nfs/dbraw/zinc/91/52/90/553915290.db2.gz WWMOEEXRCVSEEM-SANMLTNESA-N -1 1 600.649 5.623 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097967274 553916407 /nfs/dbraw/zinc/91/64/07/553916407.db2.gz GHOPCFOADZDUFM-KEEVHDRGSA-N -1 1 598.721 7.207 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967345 553917137 /nfs/dbraw/zinc/91/71/37/553917137.db2.gz DFEOEXJTMFPHGM-LGGPFLRQSA-N -1 1 627.788 7.424 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967347 553917235 /nfs/dbraw/zinc/91/72/35/553917235.db2.gz DFEOEXJTMFPHGM-PBBNMVCDSA-N -1 1 627.788 7.424 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097967353 553917260 /nfs/dbraw/zinc/91/72/60/553917260.db2.gz QLFOLMPTJOGJJF-LJAQVGFWSA-N -1 1 611.075 7.083 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097967379 553917680 /nfs/dbraw/zinc/91/76/80/553917680.db2.gz WLCAPYHJBBGDRB-WYOOIXGGSA-N -1 1 677.848 8.659 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967438 553918472 /nfs/dbraw/zinc/91/84/72/553918472.db2.gz MDEUDPYMMFEUJI-SLQAJWMNSA-N -1 1 582.678 6.675 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000097967455 553918918 /nfs/dbraw/zinc/91/89/18/553918918.db2.gz JRKIGLPJKGMXEQ-GHRAFVERSA-N -1 1 602.712 7.598 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000097967524 553919608 /nfs/dbraw/zinc/91/96/08/553919608.db2.gz SQCGHJQVHXKBIN-AREMUKBSSA-N -1 1 586.641 6.438 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967533 553919694 /nfs/dbraw/zinc/91/96/94/553919694.db2.gz CTGKVTOMPLIJOC-CBZJRKILSA-N -1 1 590.698 6.338 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967533 553919697 /nfs/dbraw/zinc/91/96/97/553919697.db2.gz CTGKVTOMPLIJOC-CBZJRKILSA-N -1 1 590.698 6.338 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000097967520 553919859 /nfs/dbraw/zinc/91/98/59/553919859.db2.gz UPIFVRZCAYIMPN-BHNGRWRESA-N -1 1 721.901 8.914 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967625 553920953 /nfs/dbraw/zinc/92/09/53/553920953.db2.gz VMZVETOSLLRHKT-DXPJPUQTSA-N -1 1 561.059 6.845 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967625 553920956 /nfs/dbraw/zinc/92/09/56/553920956.db2.gz VMZVETOSLLRHKT-DXPJPUQTSA-N -1 1 561.059 6.845 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967623 553921032 /nfs/dbraw/zinc/92/10/32/553921032.db2.gz VMZVETOSLLRHKT-QMTYFTJSSA-N -1 1 561.059 6.845 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967623 553921037 /nfs/dbraw/zinc/92/10/37/553921037.db2.gz VMZVETOSLLRHKT-QMTYFTJSSA-N -1 1 561.059 6.845 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967612 553921058 /nfs/dbraw/zinc/92/10/58/553921058.db2.gz SGPLLRQOKWLXMN-CBZJRKILSA-N -1 1 554.624 5.976 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097967614 553921087 /nfs/dbraw/zinc/92/10/87/553921087.db2.gz VTYJILDFDRBGCA-LJAQVGFWSA-N -1 1 616.692 6.437 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000097967647 553921349 /nfs/dbraw/zinc/92/13/49/553921349.db2.gz ZCDPOBMWERKMFB-MHZLTWQESA-N -1 1 596.661 6.170 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097967670 553921423 /nfs/dbraw/zinc/92/14/23/553921423.db2.gz GNFQORWHTZHRIM-IZHWHUGBSA-N -1 1 561.457 6.474 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097967654 553921466 /nfs/dbraw/zinc/92/14/66/553921466.db2.gz LZRYSKVQLKYAJP-WXTAPIANSA-N -1 1 585.707 6.254 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097967649 553921496 /nfs/dbraw/zinc/92/14/96/553921496.db2.gz JPNQZRSZEZYKBF-CLYVBNDRSA-N -1 1 554.624 5.837 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097967649 553921499 /nfs/dbraw/zinc/92/14/99/553921499.db2.gz JPNQZRSZEZYKBF-CLYVBNDRSA-N -1 1 554.624 5.837 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097967764 553922788 /nfs/dbraw/zinc/92/27/88/553922788.db2.gz QWTKHTQEXANXAI-ADXZGYQBSA-N -1 1 640.714 6.322 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097967764 553922791 /nfs/dbraw/zinc/92/27/91/553922791.db2.gz QWTKHTQEXANXAI-ADXZGYQBSA-N -1 1 640.714 6.322 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967751 553922836 /nfs/dbraw/zinc/92/28/36/553922836.db2.gz HNNMPCKKTLHDPD-WRHNGFHOSA-N -1 1 568.651 6.366 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097967809 553923590 /nfs/dbraw/zinc/92/35/90/553923590.db2.gz XMVWXBCFYBTIFF-KEEVHDRGSA-N -1 1 675.804 7.653 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097967858 553923904 /nfs/dbraw/zinc/92/39/04/553923904.db2.gz USAFZBKKCNZUCZ-NDEPHWFRSA-N -1 1 629.760 6.809 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967852 553924023 /nfs/dbraw/zinc/92/40/23/553924023.db2.gz VUOHDBJGJHSMNN-LBEKAKSKSA-N -1 1 712.677 8.431 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097967875 553924612 /nfs/dbraw/zinc/92/46/12/553924612.db2.gz PJVNFSLGBYOTMJ-YRVHBCJASA-N -1 1 578.621 7.334 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097967875 553924614 /nfs/dbraw/zinc/92/46/14/553924614.db2.gz PJVNFSLGBYOTMJ-YRVHBCJASA-N -1 1 578.621 7.334 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097967911 553924892 /nfs/dbraw/zinc/92/48/92/553924892.db2.gz MUKSVNQJAXTHKC-HSZRJFAPSA-N -1 1 561.616 5.524 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967921 553924916 /nfs/dbraw/zinc/92/49/16/553924916.db2.gz DABRFPDAMTVZST-HHHXNRCGSA-N -1 1 606.697 6.176 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967901 553924956 /nfs/dbraw/zinc/92/49/56/553924956.db2.gz CSKQGMBJQACUMI-JGCGQSQUSA-N -1 1 762.693 8.669 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097967905 553924970 /nfs/dbraw/zinc/92/49/70/553924970.db2.gz OPKIBQHXQNMZKE-JGCGQSQUSA-N -1 1 679.820 8.107 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097967920 553924982 /nfs/dbraw/zinc/92/49/82/553924982.db2.gz QGEUBPINKKCXJR-QHCPKHFHSA-N -1 1 612.516 6.691 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967928 553925238 /nfs/dbraw/zinc/92/52/38/553925238.db2.gz MLRNZJPIISMKME-GDLZYMKVSA-N -1 1 694.231 7.616 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967946 553925327 /nfs/dbraw/zinc/92/53/27/553925327.db2.gz INNULSKXRJOIHE-PMERELPUSA-N -1 1 708.258 8.006 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097967931 553925350 /nfs/dbraw/zinc/92/53/50/553925350.db2.gz XZKKJLVXNREWMC-UMSFTDKQSA-N -1 1 699.810 8.117 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967933 553925451 /nfs/dbraw/zinc/92/54/51/553925451.db2.gz VIIZTXBUECPLDR-SANMLTNESA-N -1 1 634.135 6.603 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097967984 553926102 /nfs/dbraw/zinc/92/61/02/553926102.db2.gz TZAWULTVEYQWLQ-NDEPHWFRSA-N -1 1 664.205 7.607 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000097968042 553926600 /nfs/dbraw/zinc/92/66/00/553926600.db2.gz QGCRIZAFTMFGDU-SSEXGKCCSA-N -1 1 673.813 7.208 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097968022 553926652 /nfs/dbraw/zinc/92/66/52/553926652.db2.gz LZIYXHLXQALPHM-PMERELPUSA-N -1 1 649.750 6.964 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968071 553926986 /nfs/dbraw/zinc/92/69/86/553926986.db2.gz JBFUHULSNCKJHE-GEFUHLBYSA-N -1 1 740.731 9.211 50 30 KKEAMM COc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1[O-] ZINC000033353784 553927046 /nfs/dbraw/zinc/92/70/46/553927046.db2.gz VVOWUEMHDHOZEJ-IBYKIAQLSA-N -1 1 553.500 7.792 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968088 553927454 /nfs/dbraw/zinc/92/74/54/553927454.db2.gz CXOKLTNIJWSDPI-XBBWARJSSA-N -1 1 696.678 8.668 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000097968125 553927861 /nfs/dbraw/zinc/92/78/61/553927861.db2.gz OIBOWBWCADIUFP-QHCPKHFHSA-N -1 1 577.615 5.229 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968155 553928323 /nfs/dbraw/zinc/92/83/23/553928323.db2.gz ZZCKGSFVKCACHG-NDEPHWFRSA-N -1 1 647.750 7.093 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968229 553929182 /nfs/dbraw/zinc/92/91/82/553929182.db2.gz SKHLCEVCIHEOGY-CRYYWNKWSA-N -1 1 668.624 8.032 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097968211 553929191 /nfs/dbraw/zinc/92/91/91/553929191.db2.gz LVKRGTVEFNVLEI-QHCPKHFHSA-N -1 1 579.606 5.663 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968246 553929625 /nfs/dbraw/zinc/92/96/25/553929625.db2.gz HSSNVYQIVZIREF-GDLZYMKVSA-N -1 1 677.776 7.101 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968253 553929658 /nfs/dbraw/zinc/92/96/58/553929658.db2.gz CLDHMVNPAOCHKK-VWLOTQADSA-N -1 1 656.569 7.090 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968269 553929906 /nfs/dbraw/zinc/92/99/06/553929906.db2.gz ZXIHEYVDYYIKBU-HHHXNRCGSA-N -1 1 572.639 6.038 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968269 553929909 /nfs/dbraw/zinc/92/99/09/553929909.db2.gz ZXIHEYVDYYIKBU-HHHXNRCGSA-N -1 1 572.639 6.038 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968336 553930754 /nfs/dbraw/zinc/93/07/54/553930754.db2.gz SNGGSHYCESCDAU-BSEYFRJRSA-N -1 1 644.989 7.897 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097968325 553930770 /nfs/dbraw/zinc/93/07/70/553930770.db2.gz UOROABJWCLFQMF-HSZRJFAPSA-N -1 1 579.606 5.663 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097968326 553930781 /nfs/dbraw/zinc/93/07/81/553930781.db2.gz UOROABJWCLFQMF-QHCPKHFHSA-N -1 1 579.606 5.663 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968359 553931429 /nfs/dbraw/zinc/93/14/29/553931429.db2.gz ADZCMIUICHMHCQ-MUUNZHRXSA-N -1 1 629.760 6.872 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097968409 553931997 /nfs/dbraw/zinc/93/19/97/553931997.db2.gz IRGHKHAFJWDBIW-DEOSSOPVSA-N -1 1 642.542 6.700 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097968405 553932006 /nfs/dbraw/zinc/93/20/06/553932006.db2.gz OGOFCOBMSZPQBC-PMERELPUSA-N -1 1 667.740 7.103 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000097968420 553932334 /nfs/dbraw/zinc/93/23/34/553932334.db2.gz KOIGESPLGCVLLV-SFDCACGMSA-N -1 1 611.445 6.018 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968428 553932552 /nfs/dbraw/zinc/93/25/52/553932552.db2.gz YYZRVLLJEAUDTB-GDLZYMKVSA-N -1 1 643.787 7.262 50 30 KKEAMM COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c(Br)c(Br)c1[O-] ZINC000033355502 553934981 /nfs/dbraw/zinc/93/49/81/553934981.db2.gz GXHRZGPZEQZYCF-FRNBCAGESA-N -1 1 566.315 6.863 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097969096 553936672 /nfs/dbraw/zinc/93/66/72/553936672.db2.gz YOPXNCLAIFERHT-HSZRJFAPSA-N -1 1 548.661 6.026 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969124 553936883 /nfs/dbraw/zinc/93/68/83/553936883.db2.gz VWHFSYNIMIFKAS-JCOAXYOVSA-N -1 1 682.223 8.169 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000097969150 553936951 /nfs/dbraw/zinc/93/69/51/553936951.db2.gz JWGUPNCLQCIZSQ-MUUNZHRXSA-N -1 1 594.689 6.773 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097969135 553937033 /nfs/dbraw/zinc/93/70/33/553937033.db2.gz DJXHQYVHANNUIN-OYLFLEFRSA-N -1 1 594.089 6.729 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097969170 553937385 /nfs/dbraw/zinc/93/73/85/553937385.db2.gz IRKSMRLZNNHUNP-JRPXNJEYSA-N -1 1 657.814 7.433 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097969169 553937396 /nfs/dbraw/zinc/93/73/96/553937396.db2.gz IRKSMRLZNNHUNP-URAOTHONSA-N -1 1 657.814 7.433 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097969184 553937839 /nfs/dbraw/zinc/93/78/39/553937839.db2.gz SOYJOHFNSKEMJZ-CBZJRKILSA-N -1 1 556.640 6.200 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969237 553938308 /nfs/dbraw/zinc/93/83/08/553938308.db2.gz DQYIJPVUNOQTFJ-IVCQMTBJSA-N -1 1 634.135 6.377 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969234 553938412 /nfs/dbraw/zinc/93/84/12/553938412.db2.gz DQYIJPVUNOQTFJ-CPJLOUKISA-N -1 1 634.135 6.377 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969246 553938702 /nfs/dbraw/zinc/93/87/02/553938702.db2.gz SBZJIAGMQCPIMT-WHLCRQNOSA-N -1 1 631.751 7.255 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097969250 553938807 /nfs/dbraw/zinc/93/88/07/553938807.db2.gz ZBUKCLLNIIMZIB-UPCLLVRISA-N -1 1 576.099 6.590 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097969319 553939595 /nfs/dbraw/zinc/93/95/95/553939595.db2.gz YUAOKSKFRFCXMM-LBEKAKSKSA-N -1 1 600.693 6.599 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969382 553940365 /nfs/dbraw/zinc/94/03/65/553940365.db2.gz ADUIMXAYCUMVKC-SSEXGKCCSA-N -1 1 614.720 7.045 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097969552 553942266 /nfs/dbraw/zinc/94/22/66/553942266.db2.gz WKSKMCOHIDHKRF-HSZRJFAPSA-N -1 1 566.632 5.135 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097969575 553942467 /nfs/dbraw/zinc/94/24/67/553942467.db2.gz VSJXUWWXBUDXBC-GYCJOSAFSA-N -1 1 559.644 6.076 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969582 553942586 /nfs/dbraw/zinc/94/25/86/553942586.db2.gz VNRUWBAMHCCOSQ-KCEHZKJRSA-N -1 1 626.775 7.987 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969636 553943340 /nfs/dbraw/zinc/94/33/40/553943340.db2.gz ACJNYJQJTNARRZ-HWRSSNJWSA-N -1 1 563.031 6.073 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969636 553943343 /nfs/dbraw/zinc/94/33/43/553943343.db2.gz ACJNYJQJTNARRZ-HWRSSNJWSA-N -1 1 563.031 6.073 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097969633 553943523 /nfs/dbraw/zinc/94/35/23/553943523.db2.gz WXXOOPIWBHINHL-MHZLTWQESA-N -1 1 556.640 6.373 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097969710 553943694 /nfs/dbraw/zinc/94/36/94/553943694.db2.gz ANPATNMQLKMQGC-KTBRYMIGSA-N -1 1 618.711 7.299 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097969670 553943718 /nfs/dbraw/zinc/94/37/18/553943718.db2.gz RDABOWVQNHDTEO-CRICUBBOSA-N -1 1 576.671 5.913 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097969670 553943719 /nfs/dbraw/zinc/94/37/19/553943719.db2.gz RDABOWVQNHDTEO-CRICUBBOSA-N -1 1 576.671 5.913 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097969708 553943821 /nfs/dbraw/zinc/94/38/21/553943821.db2.gz ANPATNMQLKMQGC-MNAQKMTRSA-N -1 1 618.711 7.299 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969744 553944186 /nfs/dbraw/zinc/94/41/86/553944186.db2.gz IMAQYRVABKJIHF-HZAQMHFWSA-N -1 1 609.103 7.635 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969744 553944190 /nfs/dbraw/zinc/94/41/90/553944190.db2.gz IMAQYRVABKJIHF-HZAQMHFWSA-N -1 1 609.103 7.635 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969769 553944477 /nfs/dbraw/zinc/94/44/77/553944477.db2.gz YCAFPLUGKBCWRC-PMERELPUSA-N -1 1 606.656 6.438 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969769 553944481 /nfs/dbraw/zinc/94/44/81/553944481.db2.gz YCAFPLUGKBCWRC-PMERELPUSA-N -1 1 606.656 6.438 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969754 553944761 /nfs/dbraw/zinc/94/47/61/553944761.db2.gz ZRFJLQRLQWVIBJ-ROTAYESASA-N -1 1 588.685 7.290 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969793 553944876 /nfs/dbraw/zinc/94/48/76/553944876.db2.gz GBKLGWICEKKVEJ-PMERELPUSA-N -1 1 630.719 6.827 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969793 553944877 /nfs/dbraw/zinc/94/48/77/553944877.db2.gz GBKLGWICEKKVEJ-PMERELPUSA-N -1 1 630.719 6.827 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097969786 553944991 /nfs/dbraw/zinc/94/49/91/553944991.db2.gz QBRQTJXJXWANIU-GRMGDBHTSA-N -1 1 646.765 7.997 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969831 553945592 /nfs/dbraw/zinc/94/55/92/553945592.db2.gz DXDSHLHFSQDNSQ-DNOBIOAJSA-N -1 1 617.724 6.865 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097969850 553945925 /nfs/dbraw/zinc/94/59/25/553945925.db2.gz PZDCVIWSIFGELU-WWOZWPLTSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097969850 553945927 /nfs/dbraw/zinc/94/59/27/553945927.db2.gz PZDCVIWSIFGELU-WWOZWPLTSA-N -1 1 614.720 6.989 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969859 553945972 /nfs/dbraw/zinc/94/59/72/553945972.db2.gz HMFOROSSGMGAEQ-VKGTZQKMSA-N -1 1 629.760 6.734 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969932 553947370 /nfs/dbraw/zinc/94/73/70/553947370.db2.gz ZAXUHVPMBSINAN-MRDQGFSESA-N -1 1 554.624 5.806 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969959 553947436 /nfs/dbraw/zinc/94/74/36/553947436.db2.gz MVASUSTXHAGVKS-ACSYHNTCSA-N -1 1 643.787 7.124 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970019 553948217 /nfs/dbraw/zinc/94/82/17/553948217.db2.gz LIORHOOMLOGPNK-XDBZFTIUSA-N -1 1 589.113 7.625 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970019 553948219 /nfs/dbraw/zinc/94/82/19/553948219.db2.gz LIORHOOMLOGPNK-XDBZFTIUSA-N -1 1 589.113 7.625 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000097969999 553948240 /nfs/dbraw/zinc/94/82/40/553948240.db2.gz PBSJQHLTLPOXDS-GHRAFVERSA-N -1 1 602.712 7.598 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000097970005 553948258 /nfs/dbraw/zinc/94/82/58/553948258.db2.gz KQJRBKGRWIEQPM-VOIUYBSRSA-N -1 1 560.628 5.299 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000097970005 553948260 /nfs/dbraw/zinc/94/82/60/553948260.db2.gz KQJRBKGRWIEQPM-VOIUYBSRSA-N -1 1 560.628 5.299 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970045 553948508 /nfs/dbraw/zinc/94/85/08/553948508.db2.gz IJEYLKQMARZSCU-SLQAJWMNSA-N -1 1 584.694 6.899 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970123 553949907 /nfs/dbraw/zinc/94/99/07/553949907.db2.gz DEDRDSFMKAOMOW-PPHZAIPVSA-N -1 1 599.734 6.644 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970150 553950519 /nfs/dbraw/zinc/95/05/19/553950519.db2.gz MTKXQTKARLKASV-XDBZFTIUSA-N -1 1 647.750 6.873 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097970193 553950778 /nfs/dbraw/zinc/95/07/78/553950778.db2.gz OHNHVGRDRMNJPG-UKPGIYTDSA-N -1 1 689.831 8.044 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970186 553950899 /nfs/dbraw/zinc/95/08/99/553950899.db2.gz SYQFAILTFXIMJH-SONOPUAISA-N -1 1 584.694 6.980 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970199 553950929 /nfs/dbraw/zinc/95/09/29/553950929.db2.gz UQNYJGMXKNFWLD-UKPGIYTDSA-N -1 1 689.831 8.044 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970305 553952537 /nfs/dbraw/zinc/95/25/37/553952537.db2.gz OHNPKJGVLJIHBL-PUAOIOHZSA-N -1 1 617.680 5.862 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970316 553952570 /nfs/dbraw/zinc/95/25/70/553952570.db2.gz PIXNNCFZLJJBGW-XFSFLGPDSA-N -1 1 618.711 7.380 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097970336 553952898 /nfs/dbraw/zinc/95/28/98/553952898.db2.gz QZVFJGIRBUQFFQ-XDBZFTIUSA-N -1 1 554.668 6.925 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097970367 553953283 /nfs/dbraw/zinc/95/32/83/553953283.db2.gz QLOUPHCQQPCBHU-DEOSSOPVSA-N -1 1 639.480 5.726 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970365 553953325 /nfs/dbraw/zinc/95/33/25/553953325.db2.gz YBMLNDVEDOUVEM-XRHLQHRESA-N -1 1 615.708 6.641 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970418 553953636 /nfs/dbraw/zinc/95/36/36/553953636.db2.gz XUDSBENVHAIAHX-WHEQGISXSA-N -1 1 641.496 5.377 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000097970424 553953745 /nfs/dbraw/zinc/95/37/45/553953745.db2.gz FBPLCFWUZIQWGS-HWRSSNJWSA-N -1 1 593.057 6.082 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097970410 553953779 /nfs/dbraw/zinc/95/37/79/553953779.db2.gz HAJDEQSOOLOFLJ-HHHXNRCGSA-N -1 1 588.638 5.656 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097970410 553953782 /nfs/dbraw/zinc/95/37/82/553953782.db2.gz HAJDEQSOOLOFLJ-HHHXNRCGSA-N -1 1 588.638 5.656 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970448 553954085 /nfs/dbraw/zinc/95/40/85/553954085.db2.gz KBNPZYBIQRYOMH-JIYROHSKSA-N -1 1 685.868 8.213 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000097970439 553954136 /nfs/dbraw/zinc/95/41/36/553954136.db2.gz IOAKEVYSVCTVOI-RCDICMHDSA-N -1 1 551.020 5.554 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097970472 553954448 /nfs/dbraw/zinc/95/44/48/553954448.db2.gz IBOQZXDXKMPDEA-DNOBIOAJSA-N -1 1 618.180 7.714 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097970472 553954450 /nfs/dbraw/zinc/95/44/50/553954450.db2.gz IBOQZXDXKMPDEA-DNOBIOAJSA-N -1 1 618.180 7.714 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970468 553954474 /nfs/dbraw/zinc/95/44/74/553954474.db2.gz NKQAKJWBUKCAST-JYRCXFKTSA-N -1 1 603.096 7.020 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970468 553954479 /nfs/dbraw/zinc/95/44/79/553954479.db2.gz NKQAKJWBUKCAST-JYRCXFKTSA-N -1 1 603.096 7.020 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970508 553954887 /nfs/dbraw/zinc/95/48/87/553954887.db2.gz IDCTYBZKGWSICG-YHAMSUFESA-N -1 1 561.059 6.845 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970508 553954888 /nfs/dbraw/zinc/95/48/88/553954888.db2.gz IDCTYBZKGWSICG-YHAMSUFESA-N -1 1 561.059 6.845 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000097970495 553955005 /nfs/dbraw/zinc/95/50/05/553955005.db2.gz LAEUMNBBMDOXOM-JYRCXFKTSA-N -1 1 586.666 6.209 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000097970495 553955008 /nfs/dbraw/zinc/95/50/08/553955008.db2.gz LAEUMNBBMDOXOM-JYRCXFKTSA-N -1 1 586.666 6.209 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000097970494 553955027 /nfs/dbraw/zinc/95/50/27/553955027.db2.gz LAEUMNBBMDOXOM-HPGBDJQBSA-N -1 1 586.666 6.209 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000097970494 553955032 /nfs/dbraw/zinc/95/50/32/553955032.db2.gz LAEUMNBBMDOXOM-HPGBDJQBSA-N -1 1 586.666 6.209 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097970538 553955631 /nfs/dbraw/zinc/95/56/31/553955631.db2.gz LVHQGMSWFNPGNZ-JWIGPWBQSA-N -1 1 572.639 5.819 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970562 553955952 /nfs/dbraw/zinc/95/59/52/553955952.db2.gz GZRSESOBCJBNCF-JCOAXYOVSA-N -1 1 706.286 8.558 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970593 553956327 /nfs/dbraw/zinc/95/63/27/553956327.db2.gz LKRAGZFDSDNDEA-BGOLNKOXSA-N -1 1 612.748 7.597 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970649 553957159 /nfs/dbraw/zinc/95/71/59/553957159.db2.gz FPQWFEQPZUUKFO-OLILMLBXSA-N -1 1 645.778 7.645 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970647 553957197 /nfs/dbraw/zinc/95/71/97/553957197.db2.gz FPQWFEQPZUUKFO-WRONEBCDSA-N -1 1 645.778 7.645 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970763 553958247 /nfs/dbraw/zinc/95/82/47/553958247.db2.gz BGJCALJOSRDVQH-XBBWARJSSA-N -1 1 676.216 7.554 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097970742 553958362 /nfs/dbraw/zinc/95/83/62/553958362.db2.gz NFVATYSAUKUBCP-QHCPKHFHSA-N -1 1 579.428 5.622 50 30 KKEAMM CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1 ZINC000097972058 553965577 /nfs/dbraw/zinc/96/55/77/553965577.db2.gz HKRRMINZERPOCO-HSZRJFAPSA-N -1 1 528.601 7.052 50 30 biogenic KKEAMM COC(=O)[C@@]([N-]c1nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2s1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000097999889 554046821 /nfs/dbraw/zinc/04/68/21/554046821.db2.gz FWNHESCTZLKJBR-SFHVURJKSA-N -1 1 644.299 6.189 50 30 KKEAMM CNc1nc(N=NCc2cc(I)cc(I)c2[O-])nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000098000403 554050869 /nfs/dbraw/zinc/05/08/69/554050869.db2.gz NPLIYKFXMOXMTD-ZNLRHDTNSA-N -1 1 655.160 5.037 50 30 KKEAMM CNc1nc(=NN=Cc2cc(I)cc(I)c2[O-])nc(Nc2cccc(C(F)(F)F)c2)[nH]1 ZINC000098000403 554050872 /nfs/dbraw/zinc/05/08/72/554050872.db2.gz NPLIYKFXMOXMTD-ZNLRHDTNSA-N -1 1 655.160 5.037 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000098046321 554137993 /nfs/dbraw/zinc/13/79/93/554137993.db2.gz DUCIHIXAEGZUFJ-XMMPIXPASA-N -1 1 544.629 5.759 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000098046472 554139272 /nfs/dbraw/zinc/13/92/72/554139272.db2.gz DGSGJVJWOITAGE-RUZDIDTESA-N -1 1 593.677 7.070 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046460 554139420 /nfs/dbraw/zinc/13/94/20/554139420.db2.gz GSESHEBZKQTTCF-RUZDIDTESA-N -1 1 661.032 8.752 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000098046468 554139449 /nfs/dbraw/zinc/13/94/49/554139449.db2.gz BRPXKFOPPZRBOH-RUZDIDTESA-N -1 1 610.132 7.585 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046477 554139462 /nfs/dbraw/zinc/13/94/62/554139462.db2.gz PJRXDMCHOQGXSN-NDEPHWFRSA-N -1 1 634.223 8.569 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046461 554139479 /nfs/dbraw/zinc/13/94/79/554139479.db2.gz GSESHEBZKQTTCF-VWLOTQADSA-N -1 1 661.032 8.752 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046502 554139878 /nfs/dbraw/zinc/13/98/78/554139878.db2.gz RDTJIOIAHWASKN-HSZRJFAPSA-N -1 1 626.087 6.201 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098046518 554140139 /nfs/dbraw/zinc/14/01/39/554140139.db2.gz WYUSOUTZSYHQBY-HHHXNRCGSA-N -1 1 641.702 6.701 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000098046590 554141254 /nfs/dbraw/zinc/14/12/54/554141254.db2.gz OYDSQAHPEVTXLJ-JOCHJYFZSA-N -1 1 525.051 6.973 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000098046614 554141572 /nfs/dbraw/zinc/14/15/72/554141572.db2.gz YABPZOCMJCSTOO-AREMUKBSSA-N -1 1 577.058 6.683 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000098046610 554141680 /nfs/dbraw/zinc/14/16/80/554141680.db2.gz PSQARSYRQYYXFZ-RUZDIDTESA-N -1 1 561.059 6.801 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098046660 554141970 /nfs/dbraw/zinc/14/19/70/554141970.db2.gz BKZJNMFXCPNIIW-NRFANRHFSA-N -1 1 551.577 5.108 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000098046709 554142773 /nfs/dbraw/zinc/14/27/73/554142773.db2.gz WWKZJINWBZLDOU-HSZRJFAPSA-N -1 1 577.615 5.664 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1cccnc1)c1ccccc1 ZINC000098046841 554144221 /nfs/dbraw/zinc/14/42/21/554144221.db2.gz MLMHKXOYPYJJHZ-FQEVSTJZSA-N -1 1 521.023 5.662 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047236 554147953 /nfs/dbraw/zinc/14/79/53/554147953.db2.gz JKHVVQXWTISFGP-PMERELPUSA-N -1 1 639.774 8.393 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccco2)cc1F ZINC000098047263 554148295 /nfs/dbraw/zinc/14/82/95/554148295.db2.gz HWVCZUMFYDRSII-XMMPIXPASA-N -1 1 573.627 6.507 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047345 554149601 /nfs/dbraw/zinc/14/96/01/554149601.db2.gz DTPKKQCATXYQOT-NDEPHWFRSA-N -1 1 631.795 8.229 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047345 554149603 /nfs/dbraw/zinc/14/96/03/554149603.db2.gz DTPKKQCATXYQOT-NDEPHWFRSA-N -1 1 631.795 8.229 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047387 554149999 /nfs/dbraw/zinc/14/99/99/554149999.db2.gz JXPCWJMFPKAQNJ-QHCPKHFHSA-N -1 1 567.664 5.649 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000098047375 554150066 /nfs/dbraw/zinc/15/00/66/554150066.db2.gz CWPQKJZIKPFBJR-HKBQPEDESA-N -1 1 649.794 8.585 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccnc2)cc1 ZINC000098047371 554150094 /nfs/dbraw/zinc/15/00/94/554150094.db2.gz OGRGTXCZMUMUGJ-DEOSSOPVSA-N -1 1 558.685 6.187 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000098047389 554150153 /nfs/dbraw/zinc/15/01/53/554150153.db2.gz FYBVNYSRUDRWQU-QFIPXVFZSA-N -1 1 631.494 7.276 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098047395 554150588 /nfs/dbraw/zinc/15/05/88/554150588.db2.gz SHWUVZWMEWCZRM-DEOSSOPVSA-N -1 1 596.105 7.113 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047435 554150940 /nfs/dbraw/zinc/15/09/40/554150940.db2.gz HSEDCKQSNYZDQV-MHZLTWQESA-N -1 1 606.741 7.015 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000098047427 554150971 /nfs/dbraw/zinc/15/09/71/554150971.db2.gz OADQZZKAYRLKLA-PMERELPUSA-N -1 1 661.821 8.500 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OC ZINC000098047476 554151352 /nfs/dbraw/zinc/15/13/52/554151352.db2.gz GSXOEHICQPRRHP-GDLZYMKVSA-N -1 1 678.232 8.019 50 30 KKEAMM CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000098047454 554151520 /nfs/dbraw/zinc/15/15/20/554151520.db2.gz FBZIBTFUBNXPCM-MGBGTMOVSA-N -1 1 701.911 9.068 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047507 554151736 /nfs/dbraw/zinc/15/17/36/554151736.db2.gz WTXAZXBVUUBPSW-WJOKGBTCSA-N -1 1 654.785 7.805 50 30 KKEAMM CCCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC ZINC000098047497 554151915 /nfs/dbraw/zinc/15/19/15/554151915.db2.gz NBSXFIGFUSKVPV-JGCGQSQUSA-N -1 1 692.875 8.584 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047486 554151920 /nfs/dbraw/zinc/15/19/20/554151920.db2.gz PBUITCZRCMXHQR-NDEPHWFRSA-N -1 1 650.222 8.234 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047483 554151923 /nfs/dbraw/zinc/15/19/23/554151923.db2.gz CDJKJDVELALLOC-HHHXNRCGSA-N -1 1 629.760 6.887 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047528 554152152 /nfs/dbraw/zinc/15/21/52/554152152.db2.gz OFXCZIGOWHBDKZ-SSEXGKCCSA-N -1 1 664.821 7.804 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000098047521 554152299 /nfs/dbraw/zinc/15/22/99/554152299.db2.gz VMDRZXPFPRNLKW-VWLOTQADSA-N -1 1 592.670 5.773 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047551 554152597 /nfs/dbraw/zinc/15/25/97/554152597.db2.gz MZTQKQQZAQQZRY-XMMPIXPASA-N -1 1 593.658 6.134 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047594 554153109 /nfs/dbraw/zinc/15/31/09/554153109.db2.gz SVHBUKYXBLDGHG-SANMLTNESA-N -1 1 616.721 7.009 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047610 554153446 /nfs/dbraw/zinc/15/34/46/554153446.db2.gz OAEUFPLORWPBJC-SANMLTNESA-N -1 1 616.721 7.009 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047628 554153493 /nfs/dbraw/zinc/15/34/93/554153493.db2.gz UFRQAYFGHVMZRK-HKBQPEDESA-N -1 1 691.847 8.509 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccccc2F)cc1 ZINC000098047614 554153530 /nfs/dbraw/zinc/15/35/30/554153530.db2.gz FOCQYMYLNIKFEL-VWLOTQADSA-N -1 1 593.677 7.070 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000098047608 554153573 /nfs/dbraw/zinc/15/35/73/554153573.db2.gz VHLMYHHSQSQALX-PMERELPUSA-N -1 1 657.814 7.674 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047602 554153680 /nfs/dbraw/zinc/15/36/80/554153680.db2.gz FXPKIFNQBLOIJL-VWLOTQADSA-N -1 1 637.139 7.354 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000098047645 554153916 /nfs/dbraw/zinc/15/39/16/554153916.db2.gz LSLAHSNYEOXPAK-RUZDIDTESA-N -1 1 610.132 7.585 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000098047662 554154375 /nfs/dbraw/zinc/15/43/75/554154375.db2.gz PBBXXUPRHCKDOF-VWLOTQADSA-N -1 1 610.132 7.585 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)C)cc2)cc1F ZINC000098047706 554154899 /nfs/dbraw/zinc/15/48/99/554154899.db2.gz JQHJBZHTIVELQH-LJAQVGFWSA-N -1 1 625.747 8.038 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047736 554155321 /nfs/dbraw/zinc/15/53/21/554155321.db2.gz XLKVBCMLPBEELP-MHZLTWQESA-N -1 1 613.692 6.923 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047740 554155376 /nfs/dbraw/zinc/15/53/76/554155376.db2.gz KSNLTBZYVNLWNU-LJAQVGFWSA-N -1 1 641.746 7.621 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047751 554155441 /nfs/dbraw/zinc/15/54/41/554155441.db2.gz LDCNYZBTKXQTRM-MUUNZHRXSA-N -1 1 595.721 7.776 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000098047729 554155505 /nfs/dbraw/zinc/15/55/05/554155505.db2.gz VPCBQHBXQZNIPZ-GDLZYMKVSA-N -1 1 639.774 8.212 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047767 554155822 /nfs/dbraw/zinc/15/58/22/554155822.db2.gz BPGJXYOAAPHCCM-MUUNZHRXSA-N -1 1 653.738 6.570 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047839 554156758 /nfs/dbraw/zinc/15/67/58/554156758.db2.gz YAUOAKWJPBXHIK-WJOKGBTCSA-N -1 1 653.801 8.783 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccs2)nc1C ZINC000098048011 554158370 /nfs/dbraw/zinc/15/83/70/554158370.db2.gz DZSWCNPWKYVLBV-DEOSSOPVSA-N -1 1 544.654 6.386 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000098047986 554158381 /nfs/dbraw/zinc/15/83/81/554158381.db2.gz WJVDFKQPGOFNKY-IZHWHUGBSA-N -1 1 530.602 5.325 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048041 554158836 /nfs/dbraw/zinc/15/88/36/554158836.db2.gz MTZASBOPPMJIGY-AKJBCIBTSA-N -1 1 544.604 6.331 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048041 554158838 /nfs/dbraw/zinc/15/88/38/554158838.db2.gz MTZASBOPPMJIGY-AKJBCIBTSA-N -1 1 544.604 6.331 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1O ZINC000098048031 554158907 /nfs/dbraw/zinc/15/89/07/554158907.db2.gz LDIYODTUFLGRMW-HWRSSNJWSA-N -1 1 546.576 5.646 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1O ZINC000098048031 554158909 /nfs/dbraw/zinc/15/89/09/554158909.db2.gz LDIYODTUFLGRMW-HWRSSNJWSA-N -1 1 546.576 5.646 50 30 KKEAMM CCCCCCCCCCCCOc1ccccc1NC(=O)CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000098050364 554173893 /nfs/dbraw/zinc/17/38/93/554173893.db2.gz ZEWUKCGETBXGFS-UHFFFAOYSA-N -1 1 518.698 7.556 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000053291787 554331838 /nfs/dbraw/zinc/33/18/38/554331838.db2.gz HNOGCPYGXXLIBB-SANMLTNESA-N -1 1 574.611 5.353 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000053291787 554331843 /nfs/dbraw/zinc/33/18/43/554331843.db2.gz HNOGCPYGXXLIBB-SANMLTNESA-N -1 1 574.611 5.353 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000053291626 554332122 /nfs/dbraw/zinc/33/21/22/554332122.db2.gz OZLYJYQEWULCCQ-NRFANRHFSA-N -1 1 522.941 5.658 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000053292072 554332441 /nfs/dbraw/zinc/33/24/41/554332441.db2.gz KDRXPXFOQQFQJF-XMMPIXPASA-N -1 1 529.574 6.003 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053305765 554332775 /nfs/dbraw/zinc/33/27/75/554332775.db2.gz ROQXADAWBRXORX-NRFANRHFSA-N -1 1 529.401 6.686 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053306033 554333068 /nfs/dbraw/zinc/33/30/68/554333068.db2.gz HOBSWOPKKAONSB-JMQGSBJISA-N -1 1 568.695 7.099 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053306591 554333946 /nfs/dbraw/zinc/33/39/46/554333946.db2.gz QPYRHDIMAVDPLN-FQEVSTJZSA-N -1 1 561.443 6.035 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053306528 554334057 /nfs/dbraw/zinc/33/40/57/554334057.db2.gz GHCCEYULCOYILE-QFIPXVFZSA-N -1 1 551.418 5.859 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053306651 554334277 /nfs/dbraw/zinc/33/42/77/554334277.db2.gz QFHZIBIAMOAKLM-OAQYLSRUSA-N -1 1 523.383 6.289 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000053306634 554334468 /nfs/dbraw/zinc/33/44/68/554334468.db2.gz ZKBUUTKCEJIAQT-FQEVSTJZSA-N -1 1 525.449 6.520 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000053306634 554334466 /nfs/dbraw/zinc/33/44/66/554334466.db2.gz ZKBUUTKCEJIAQT-FQEVSTJZSA-N -1 1 525.449 6.520 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000053307322 554335037 /nfs/dbraw/zinc/33/50/37/554335037.db2.gz UEWVPLYATWSAPW-JOCHJYFZSA-N -1 1 519.966 6.258 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053308164 554335590 /nfs/dbraw/zinc/33/55/90/554335590.db2.gz OZFJBWPVRNXWCW-OAQYLSRUSA-N -1 1 523.383 6.289 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000053319110 554335945 /nfs/dbraw/zinc/33/59/45/554335945.db2.gz FHOPAFLEIUHOSK-KEEVHDRGSA-N -1 1 574.658 7.503 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053319112 554336002 /nfs/dbraw/zinc/33/60/02/554336002.db2.gz DIXSSDSCIGFTNR-NRFANRHFSA-N -1 1 573.454 6.201 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000053319276 554337000 /nfs/dbraw/zinc/33/70/00/554337000.db2.gz GPKIBOUVZHBJKU-HXUWFJFHSA-N -1 1 526.343 5.426 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000053319348 554337331 /nfs/dbraw/zinc/33/73/31/554337331.db2.gz IBYSMJGJRJAVLP-OAQYLSRUSA-N -1 1 551.577 5.025 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053319316 554337339 /nfs/dbraw/zinc/33/73/39/554337339.db2.gz SZOMMJMIHKBFGV-QFIPXVFZSA-N -1 1 553.865 7.112 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(Cl)c2)s1 ZINC000053319402 554337936 /nfs/dbraw/zinc/33/79/36/554337936.db2.gz AZWCBJGTELRWDP-DEOSSOPVSA-N -1 1 532.021 6.170 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000053332628 554338933 /nfs/dbraw/zinc/33/89/33/554338933.db2.gz CKBLOMPTIFNWSX-QFIPXVFZSA-N -1 1 583.847 6.266 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053332483 554338968 /nfs/dbraw/zinc/33/89/68/554338968.db2.gz LWHIMLHRXMWUTF-AREMUKBSSA-N -1 1 588.638 5.493 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000053333460 554339318 /nfs/dbraw/zinc/33/93/18/554339318.db2.gz ACJNYJQJTNARRZ-SXBQZSJRSA-N -1 1 563.031 6.073 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000053333460 554339321 /nfs/dbraw/zinc/33/93/21/554339321.db2.gz ACJNYJQJTNARRZ-SXBQZSJRSA-N -1 1 563.031 6.073 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000053333655 554339664 /nfs/dbraw/zinc/33/96/64/554339664.db2.gz GEMYNIOBWZXKIL-SANMLTNESA-N -1 1 544.629 6.030 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000053334030 554339706 /nfs/dbraw/zinc/33/97/06/554339706.db2.gz HAAWHQBQZDKXIF-HHHXNRCGSA-N -1 1 588.638 5.656 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000053333693 554339750 /nfs/dbraw/zinc/33/97/50/554339750.db2.gz XLCWGWZAAIEWAZ-SHACYNPGSA-N -1 1 533.005 6.065 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053333720 554339821 /nfs/dbraw/zinc/33/98/21/554339821.db2.gz XIKOBSVLTLOWBK-QUGAMOGWSA-N -1 1 526.614 6.110 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000053335042 554340689 /nfs/dbraw/zinc/34/06/89/554340689.db2.gz AYUWVGXCSDHLBK-LJAQVGFWSA-N -1 1 584.694 6.892 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000053335047 554340775 /nfs/dbraw/zinc/34/07/75/554340775.db2.gz AYUWVGXCSDHLBK-GDLZYMKVSA-N -1 1 584.694 6.892 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000053339178 554342995 /nfs/dbraw/zinc/34/29/95/554342995.db2.gz HPEWCLFGJKCYFK-AREMUKBSSA-N -1 1 544.629 6.058 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000053339175 554343312 /nfs/dbraw/zinc/34/33/12/554343312.db2.gz HPEWCLFGJKCYFK-SANMLTNESA-N -1 1 544.629 6.058 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000053339435 554343590 /nfs/dbraw/zinc/34/35/90/554343590.db2.gz SPIQTOOXWNGUBA-NDEPHWFRSA-N -1 1 586.666 6.265 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053340150 554343807 /nfs/dbraw/zinc/34/38/07/554343807.db2.gz RQGZFDXKYQFYSC-XMMPIXPASA-N -1 1 593.455 6.012 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000100439711 554393391 /nfs/dbraw/zinc/39/33/91/554393391.db2.gz KRLFDPVMZRCLBS-NHFXJNLRSA-N -1 1 531.175 5.977 50 30 KKEAMM O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])c1)c1ccc(Cl)cc1Cl ZINC000100457731 554397272 /nfs/dbraw/zinc/39/72/72/554397272.db2.gz YXHUYRRFJIBZIH-VWJSQJICSA-N -1 1 588.716 8.709 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000100674838 554443243 /nfs/dbraw/zinc/44/32/43/554443243.db2.gz CYUSCEGYAVXRII-XMMPIXPASA-N -1 1 617.551 7.533 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000100674841 554443279 /nfs/dbraw/zinc/44/32/79/554443279.db2.gz CYUSCEGYAVXRII-DEOSSOPVSA-N -1 1 617.551 7.533 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000100677220 554444276 /nfs/dbraw/zinc/44/42/76/554444276.db2.gz KNLQZTPNQHSPAT-GOSISDBHSA-N -1 1 545.386 5.231 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000100677296 554444624 /nfs/dbraw/zinc/44/46/24/554444624.db2.gz WHHCKOUJDOSJIP-XMMPIXPASA-N -1 1 580.659 5.607 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000100677314 554444633 /nfs/dbraw/zinc/44/46/33/554444633.db2.gz QUVIUIJPRNAAHF-HSZRJFAPSA-N -1 1 550.633 5.599 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100677288 554444743 /nfs/dbraw/zinc/44/47/43/554444743.db2.gz YCFSLPJJEAMVOS-HHHXNRCGSA-N -1 1 606.741 7.159 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000100677692 554444758 /nfs/dbraw/zinc/44/47/58/554444758.db2.gz FEYBIMZYGRDZPL-DEOSSOPVSA-N -1 1 558.587 6.261 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCC=C)cc2)nc1C ZINC000100680021 554445975 /nfs/dbraw/zinc/44/59/75/554445975.db2.gz SSEGVPCWDHCFGX-AREMUKBSSA-N -1 1 588.682 6.321 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000100680040 554446110 /nfs/dbraw/zinc/44/61/10/554446110.db2.gz RNPZETDORCFWDO-RUZDIDTESA-N -1 1 592.670 5.773 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000100680261 554446154 /nfs/dbraw/zinc/44/61/54/554446154.db2.gz MNYDDVNGEBQEQH-QHCPKHFHSA-N -1 1 534.634 5.762 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000100680261 554446159 /nfs/dbraw/zinc/44/61/59/554446159.db2.gz MNYDDVNGEBQEQH-QHCPKHFHSA-N -1 1 534.634 5.762 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000100680338 554446456 /nfs/dbraw/zinc/44/64/56/554446456.db2.gz YVHQXGPNUXSLDG-SANMLTNESA-N -1 1 606.697 6.163 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000100680397 554446702 /nfs/dbraw/zinc/44/67/02/554446702.db2.gz UCVDXBWRNDVTLI-DEOSSOPVSA-N -1 1 562.644 5.765 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000100681061 554447146 /nfs/dbraw/zinc/44/71/46/554447146.db2.gz FSMFLUVKEULLDW-NRFANRHFSA-N -1 1 585.476 5.962 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000100681118 554447238 /nfs/dbraw/zinc/44/72/38/554447238.db2.gz JQWULEAHJXJTIP-QFIPXVFZSA-N -1 1 536.606 5.209 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100681451 554447857 /nfs/dbraw/zinc/44/78/57/554447857.db2.gz VKGDIZSETHGCGZ-HXUWFJFHSA-N -1 1 561.418 6.332 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000100736789 554461256 /nfs/dbraw/zinc/46/12/56/554461256.db2.gz CQYZKEDBUOVUKB-QFIPXVFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000100736789 554461261 /nfs/dbraw/zinc/46/12/61/554461261.db2.gz CQYZKEDBUOVUKB-QFIPXVFZSA-N -1 1 536.606 5.127 50 30 KKEAMM Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000100868536 554497109 /nfs/dbraw/zinc/49/71/09/554497109.db2.gz FGGXAUKILYLZIU-AREMUKBSSA-N -1 1 624.615 8.660 50 30 KKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069810 554574274 /nfs/dbraw/zinc/57/42/74/554574274.db2.gz YJHVONARFVQHAW-MOBKVPTQSA-N -1 1 525.786 5.687 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069928 554574606 /nfs/dbraw/zinc/57/46/06/554574606.db2.gz NVTOBINSSBYJKF-WOOAAIBNSA-N -1 1 514.173 5.233 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000101072855 554576475 /nfs/dbraw/zinc/57/64/75/554576475.db2.gz QQPQCVBIGSNWQX-HOGKFDNTSA-N -1 1 583.847 6.110 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072993 554576577 /nfs/dbraw/zinc/57/65/77/554576577.db2.gz VZCHOAMYBRERII-HFEWCJDKSA-N -1 1 519.420 6.302 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000101100217 554587161 /nfs/dbraw/zinc/58/71/61/554587161.db2.gz QXRLGRPRXXSOIQ-YDJIHCHBSA-N -1 1 527.346 5.963 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000101276747 554702943 /nfs/dbraw/zinc/70/29/43/554702943.db2.gz BADIEQIZDFLCOX-ONQGDUAMSA-N -1 1 596.661 6.530 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276815 554703116 /nfs/dbraw/zinc/70/31/16/554703116.db2.gz MMAKXGFXONHFFK-VXJPNWOUSA-N -1 1 622.699 6.323 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276815 554703119 /nfs/dbraw/zinc/70/31/19/554703119.db2.gz MMAKXGFXONHFFK-VXJPNWOUSA-N -1 1 622.699 6.323 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276793 554703199 /nfs/dbraw/zinc/70/31/99/554703199.db2.gz BGIIRRBXPGSAHO-JVJOXMINSA-N -1 1 616.692 5.708 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276793 554703202 /nfs/dbraw/zinc/70/32/02/554703202.db2.gz BGIIRRBXPGSAHO-JVJOXMINSA-N -1 1 616.692 5.708 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276837 554703546 /nfs/dbraw/zinc/70/35/46/554703546.db2.gz LVURCVKOGLSEJK-CJJGVWJISA-N -1 1 604.681 5.617 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000101277300 554703569 /nfs/dbraw/zinc/70/35/69/554703569.db2.gz OUDMSEHDFGOIQX-DFXXOVSGSA-N -1 1 626.687 6.022 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000101277458 554703918 /nfs/dbraw/zinc/70/39/18/554703918.db2.gz LTVQCKQQTOJEKK-WNQPQFFOSA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000101277458 554703920 /nfs/dbraw/zinc/70/39/20/554703920.db2.gz LTVQCKQQTOJEKK-WNQPQFFOSA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277732 554704186 /nfs/dbraw/zinc/70/41/86/554704186.db2.gz RLGDCJMKYZHUEJ-MWCANZRFSA-N -1 1 558.656 5.867 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000101277940 554704210 /nfs/dbraw/zinc/70/42/10/554704210.db2.gz GYSLBCUTRVVMTG-ONQGDUAMSA-N -1 1 598.652 6.447 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000101277898 554704217 /nfs/dbraw/zinc/70/42/17/554704217.db2.gz LNXHSGZEHYJOAG-JBCNATCCSA-N -1 1 539.009 5.391 50 30 KKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101286460 554705972 /nfs/dbraw/zinc/70/59/72/554705972.db2.gz PHLDVGHSEGDDID-JOCHJYFZSA-N -1 1 548.621 5.188 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101293979 554710264 /nfs/dbraw/zinc/71/02/64/554710264.db2.gz QAGIMRTVJNGESB-SBXHHDGASA-N -1 1 500.551 5.935 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101293979 554710265 /nfs/dbraw/zinc/71/02/65/554710265.db2.gz QAGIMRTVJNGESB-SBXHHDGASA-N -1 1 500.551 5.935 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101293852 554710332 /nfs/dbraw/zinc/71/03/32/554710332.db2.gz JCSAGJQFPOLGRT-CZNAVJSXSA-N -1 1 526.614 6.113 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294237 554711015 /nfs/dbraw/zinc/71/10/15/554711015.db2.gz MPHZLDYCWXABLD-UJWLLDLUSA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294237 554711018 /nfs/dbraw/zinc/71/10/18/554711018.db2.gz MPHZLDYCWXABLD-UJWLLDLUSA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000101310272 554717278 /nfs/dbraw/zinc/71/72/78/554717278.db2.gz UAKRJNWZHAOXPN-JDSQIOQSSA-N -1 1 603.096 6.863 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000101310272 554717280 /nfs/dbraw/zinc/71/72/80/554717280.db2.gz UAKRJNWZHAOXPN-JDSQIOQSSA-N -1 1 603.096 6.863 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000101310256 554717295 /nfs/dbraw/zinc/71/72/95/554717295.db2.gz JJASZBMSRDAAFW-LHKMDIPOSA-N -1 1 582.678 6.518 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000101310282 554717604 /nfs/dbraw/zinc/71/76/04/554717604.db2.gz QXKFCTJBIICVGU-JDSQIOQSSA-N -1 1 586.641 6.349 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000101310282 554717606 /nfs/dbraw/zinc/71/76/06/554717606.db2.gz QXKFCTJBIICVGU-JDSQIOQSSA-N -1 1 586.641 6.349 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310301 554717664 /nfs/dbraw/zinc/71/76/64/554717664.db2.gz UYDCIPAVGVGJBP-VDGASQMCSA-N -1 1 612.704 6.608 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000101310421 554717937 /nfs/dbraw/zinc/71/79/37/554717937.db2.gz JGKATELTAKIPPK-DFXXOVSGSA-N -1 1 584.650 5.966 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000101316982 554724359 /nfs/dbraw/zinc/72/43/59/554724359.db2.gz ICTCBLMTKNFPHE-CZNAVJSXSA-N -1 1 617.680 5.932 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000101316979 554724394 /nfs/dbraw/zinc/72/43/94/554724394.db2.gz ICTCBLMTKNFPHE-CJJGVWJISA-N -1 1 617.680 5.932 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000101353993 554738972 /nfs/dbraw/zinc/73/89/72/554738972.db2.gz OGHXRBKLOUSPDW-SGANQWHYSA-N -1 1 557.584 5.710 50 30 KKEAMM CC(=O)/C(=N\[N-]c1ccccc1[N+](=O)[O-])Sc1nnc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 ZINC000101400596 554760112 /nfs/dbraw/zinc/76/01/12/554760112.db2.gz OBYQGSDIJNSBRN-XPXRSFDGSA-N -1 1 570.675 6.909 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000102076521 554874624 /nfs/dbraw/zinc/87/46/24/554874624.db2.gz OBFLSFPLBSAUBE-VAGBDARLSA-N -1 1 504.608 5.518 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000102486871 554938532 /nfs/dbraw/zinc/93/85/32/554938532.db2.gz BDGISKPRXCUTLU-MRJHHRETSA-N -1 1 511.372 5.370 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000102486871 554938533 /nfs/dbraw/zinc/93/85/33/554938533.db2.gz BDGISKPRXCUTLU-MRJHHRETSA-N -1 1 511.372 5.370 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000102491258 554939335 /nfs/dbraw/zinc/93/93/35/554939335.db2.gz LZMDRPOVRVWVMT-GHNGSUTGSA-N -1 1 500.935 5.047 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102493941 554939955 /nfs/dbraw/zinc/93/99/55/554939955.db2.gz YFMMPSDCJLXJSE-AYWGPLOBSA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102498305 554941499 /nfs/dbraw/zinc/94/14/99/554941499.db2.gz VSRCKFPLXJIWEU-NHFXJNLRSA-N -1 1 541.448 6.145 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102498295 554941504 /nfs/dbraw/zinc/94/15/04/554941504.db2.gz VSRCKFPLXJIWEU-YDJIHCHBSA-N -1 1 541.448 6.145 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102499900 554942467 /nfs/dbraw/zinc/94/24/67/554942467.db2.gz OODUPCFWYINKJW-ZHHPLPSFSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102499900 554942468 /nfs/dbraw/zinc/94/24/68/554942468.db2.gz OODUPCFWYINKJW-ZHHPLPSFSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102501725 554943362 /nfs/dbraw/zinc/94/33/62/554943362.db2.gz WJKPQBCGTCRNEG-SBXHHDGASA-N -1 1 516.575 5.257 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102508119 554945183 /nfs/dbraw/zinc/94/51/83/554945183.db2.gz KZIOSIHDEGXMNA-IUKMQXEJSA-N -1 1 530.602 5.647 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102508676 554945641 /nfs/dbraw/zinc/94/56/41/554945641.db2.gz LJVZTBNQUKWDMJ-NXLSWJSLSA-N -1 1 516.575 5.257 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102513911 554947235 /nfs/dbraw/zinc/94/72/35/554947235.db2.gz ZBYOHNMGZZENJM-JBCNATCCSA-N -1 1 508.577 5.010 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102519069 554949065 /nfs/dbraw/zinc/94/90/65/554949065.db2.gz ONOGOGKPMIJYFT-MRJHHRETSA-N -1 1 555.837 6.347 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102524414 554951204 /nfs/dbraw/zinc/95/12/04/554951204.db2.gz FYMLMCAZJKFKBA-NPJIAGGLSA-N -1 1 570.623 5.974 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102524414 554951206 /nfs/dbraw/zinc/95/12/06/554951206.db2.gz FYMLMCAZJKFKBA-NPJIAGGLSA-N -1 1 570.623 5.974 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102525769 554951923 /nfs/dbraw/zinc/95/19/23/554951923.db2.gz LTKAENCPUTVORT-LFVOPCPISA-N -1 1 501.416 6.599 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102528069 554952842 /nfs/dbraw/zinc/95/28/42/554952842.db2.gz ZDXCHCNXIAKOEM-NPJIAGGLSA-N -1 1 514.603 6.028 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102529192 554953105 /nfs/dbraw/zinc/95/31/05/554953105.db2.gz AQADGKGACMKFLG-NXLSWJSLSA-N -1 1 516.619 6.520 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102530400 554953683 /nfs/dbraw/zinc/95/36/83/554953683.db2.gz ZOFDVIFIUIWMMJ-ZZIWUOEGSA-N -1 1 519.022 6.592 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102532899 554954692 /nfs/dbraw/zinc/95/46/92/554954692.db2.gz USKBAAOPQFIFLB-ZZIWUOEGSA-N -1 1 502.567 6.077 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102537302 554956233 /nfs/dbraw/zinc/95/62/33/554956233.db2.gz NEZJZKSWDLJSFR-ZHHPLPSFSA-N -1 1 520.994 5.983 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102539309 554956865 /nfs/dbraw/zinc/95/68/65/554956865.db2.gz JPQKMYXDRMIGMI-NXLSWJSLSA-N -1 1 544.585 5.117 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102539400 554956990 /nfs/dbraw/zinc/95/69/90/554956990.db2.gz SOAYPZBZCUOISZ-ZHHPLPSFSA-N -1 1 531.546 5.238 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102541343 554957561 /nfs/dbraw/zinc/95/75/61/554957561.db2.gz QARIVOAGAJVOST-ZHHPLPSFSA-N -1 1 515.547 5.538 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102541343 554957563 /nfs/dbraw/zinc/95/75/63/554957563.db2.gz QARIVOAGAJVOST-ZHHPLPSFSA-N -1 1 515.547 5.538 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102542556 554957846 /nfs/dbraw/zinc/95/78/46/554957846.db2.gz WJGPUHIIRWHQDX-SBXHHDGASA-N -1 1 516.594 6.368 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000102545037 554958699 /nfs/dbraw/zinc/95/86/99/554958699.db2.gz FLIHKECCZYLUMX-YDJIHCHBSA-N -1 1 531.175 5.977 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102546311 554959384 /nfs/dbraw/zinc/95/93/84/554959384.db2.gz AHXVBZSVSUTKQN-WGGXKBPPSA-N -1 1 576.630 6.795 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102547424 554959999 /nfs/dbraw/zinc/95/99/99/554959999.db2.gz RJKCVNMZHSTGMX-QKJBWNOYSA-N -1 1 556.596 5.097 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102548980 554960777 /nfs/dbraw/zinc/96/07/77/554960777.db2.gz IPAUEBUFQPGGIC-FECHNCLXSA-N -1 1 565.420 6.148 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102549523 554961138 /nfs/dbraw/zinc/96/11/38/554961138.db2.gz VINNVDSSNVRWHP-WGGXKBPPSA-N -1 1 611.075 6.926 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102550693 554961696 /nfs/dbraw/zinc/96/16/96/554961696.db2.gz BGVFESSXRRYENF-RFAFYKRUSA-N -1 1 542.613 5.572 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102550622 554961743 /nfs/dbraw/zinc/96/17/43/554961743.db2.gz JVKAKSHLHFEMRQ-NXLSWJSLSA-N -1 1 527.558 5.565 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102551076 554961969 /nfs/dbraw/zinc/96/19/69/554961969.db2.gz FDSQAZKSSCLRKZ-NPJIAGGLSA-N -1 1 544.585 5.101 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102551076 554961973 /nfs/dbraw/zinc/96/19/73/554961973.db2.gz FDSQAZKSSCLRKZ-NPJIAGGLSA-N -1 1 544.585 5.101 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102552243 554962451 /nfs/dbraw/zinc/96/24/51/554962451.db2.gz ZWCLHYBCRLNAIR-ZORLYMSLSA-N -1 1 620.683 6.672 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102552243 554962453 /nfs/dbraw/zinc/96/24/53/554962453.db2.gz ZWCLHYBCRLNAIR-ZORLYMSLSA-N -1 1 620.683 6.672 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102551888 554962470 /nfs/dbraw/zinc/96/24/70/554962470.db2.gz LNHZPCFIJGPVSW-DZTJFIFISA-N -1 1 554.668 6.733 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000102553860 554963438 /nfs/dbraw/zinc/96/34/38/554963438.db2.gz QNMGGBKRSFNCRR-DZSUXXLQSA-N -1 1 518.616 5.706 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102554993 554963804 /nfs/dbraw/zinc/96/38/04/554963804.db2.gz PLMMJNOPBRXDEX-XTUFCYCQSA-N -1 1 570.667 6.434 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102555434 554964019 /nfs/dbraw/zinc/96/40/19/554964019.db2.gz DWCMJODTUSFBCY-DDLSXHCZSA-N -1 1 574.658 7.347 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000102560600 554967964 /nfs/dbraw/zinc/96/79/64/554967964.db2.gz ZHRRITAEDLOUBC-ORMNNRERSA-N -1 1 622.674 6.973 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000102560600 554967968 /nfs/dbraw/zinc/96/79/68/554967968.db2.gz ZHRRITAEDLOUBC-ORMNNRERSA-N -1 1 622.674 6.973 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102561067 554968044 /nfs/dbraw/zinc/96/80/44/554968044.db2.gz BNMMBKYWTOHHDV-JUQULXIISA-N -1 1 586.666 5.889 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102563541 554969132 /nfs/dbraw/zinc/96/91/32/554969132.db2.gz YXEUHKLEMZFMIR-CJJGVWJISA-N -1 1 558.612 5.410 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102564579 554969508 /nfs/dbraw/zinc/96/95/08/554969508.db2.gz PJNJRJMWNLPGHS-GBIFRDBCSA-N -1 1 619.139 7.333 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102564579 554969511 /nfs/dbraw/zinc/96/95/11/554969511.db2.gz PJNJRJMWNLPGHS-GBIFRDBCSA-N -1 1 619.139 7.333 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102572648 554971019 /nfs/dbraw/zinc/97/10/19/554971019.db2.gz JIGOREQASHXBHH-SBXHHDGASA-N -1 1 591.642 5.376 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102587649 554973600 /nfs/dbraw/zinc/97/36/00/554973600.db2.gz VNRCCDVYPQAPMW-CZNAVJSXSA-N -1 1 619.696 6.156 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000102588997 554973845 /nfs/dbraw/zinc/97/38/45/554973845.db2.gz MJECKADPLYITDS-GOBYDPEUSA-N -1 1 504.608 5.662 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102596382 554977052 /nfs/dbraw/zinc/97/70/52/554977052.db2.gz YMBNXRGZZOZVNI-SBXHHDGASA-N -1 1 608.097 5.890 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102597680 554977078 /nfs/dbraw/zinc/97/70/78/554977078.db2.gz VDVWQKUZTPBCGH-CJJGVWJISA-N -1 1 603.697 6.490 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000102606122 554978694 /nfs/dbraw/zinc/97/86/94/554978694.db2.gz VQCABXWELQQNRA-CPJLOUKISA-N -1 1 549.649 5.386 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606098 554978700 /nfs/dbraw/zinc/97/87/00/554978700.db2.gz USXVVIXRXQXFSV-LMKMVOKYSA-N -1 1 549.649 5.530 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606098 554978703 /nfs/dbraw/zinc/97/87/03/554978703.db2.gz USXVVIXRXQXFSV-LMKMVOKYSA-N -1 1 549.649 5.530 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000102606082 554978750 /nfs/dbraw/zinc/97/87/50/554978750.db2.gz MDOXMGKFDWYYDC-OYLFLEFRSA-N -1 1 535.622 5.140 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606144 554979068 /nfs/dbraw/zinc/97/90/68/554979068.db2.gz LXCINZNOEVGMHD-MRDQGFSESA-N -1 1 563.676 5.921 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606144 554979071 /nfs/dbraw/zinc/97/90/71/554979071.db2.gz LXCINZNOEVGMHD-MRDQGFSESA-N -1 1 563.676 5.921 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102620989 554986766 /nfs/dbraw/zinc/98/67/66/554986766.db2.gz BWSBEXMACLPHON-CZNAVJSXSA-N -1 1 620.152 7.005 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102624707 554988017 /nfs/dbraw/zinc/98/80/17/554988017.db2.gz JHQYXTFUCUPEGS-FPRSLYQBSA-N -1 1 609.704 7.072 50 30 KKEAMM CCCCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000102629780 554989125 /nfs/dbraw/zinc/98/91/25/554989125.db2.gz JANFEGIUMUNSPB-UHFFFAOYSA-N -1 1 583.596 7.881 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102651016 554995887 /nfs/dbraw/zinc/99/58/87/554995887.db2.gz PJNOVRZOJRHLLL-ONQGDUAMSA-N -1 1 614.676 5.856 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102651016 554995891 /nfs/dbraw/zinc/99/58/91/554995891.db2.gz PJNOVRZOJRHLLL-ONQGDUAMSA-N -1 1 614.676 5.856 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102651346 554995975 /nfs/dbraw/zinc/99/59/75/554995975.db2.gz OHLUARWFYYYBDU-CGKJMNDRSA-N -1 1 556.596 5.041 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102651346 554995977 /nfs/dbraw/zinc/99/59/77/554995977.db2.gz OHLUARWFYYYBDU-CGKJMNDRSA-N -1 1 556.596 5.041 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000102651914 554996138 /nfs/dbraw/zinc/99/61/38/554996138.db2.gz BTXSXCSASFVQMM-JRPVAJNPSA-N -1 1 528.586 5.350 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102651455 554996207 /nfs/dbraw/zinc/99/62/07/554996207.db2.gz ISIDYMRBXQAAAD-TXTDGAROSA-N -1 1 602.665 5.890 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102651455 554996210 /nfs/dbraw/zinc/99/62/10/554996210.db2.gz ISIDYMRBXQAAAD-TXTDGAROSA-N -1 1 602.665 5.890 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102652017 554996462 /nfs/dbraw/zinc/99/64/62/554996462.db2.gz BGVFESSXRRYENF-SSELITHESA-N -1 1 542.613 5.572 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102652233 554996543 /nfs/dbraw/zinc/99/65/43/554996543.db2.gz GBZCFLCEYJTHQB-SSELITHESA-N -1 1 526.614 5.817 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102652984 554996836 /nfs/dbraw/zinc/99/68/36/554996836.db2.gz WONYJSPSLHICTQ-OTQMSCLFSA-N -1 1 599.690 5.567 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102653288 554997160 /nfs/dbraw/zinc/99/71/60/554997160.db2.gz MFIOCYLUGPBFDX-VDGASQMCSA-N -1 1 614.720 6.832 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000102653625 554997178 /nfs/dbraw/zinc/99/71/78/554997178.db2.gz MGJDGFUTNMBWDF-ZZIWUOEGSA-N -1 1 514.559 5.016 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102653278 554997204 /nfs/dbraw/zinc/99/72/04/554997204.db2.gz UVZJCMZPIMCJNB-BBHOXHGRSA-N -1 1 561.457 6.317 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102653940 554997509 /nfs/dbraw/zinc/99/75/09/554997509.db2.gz BSCJSQIBGKIKJB-LQRKZSIOSA-N -1 1 588.657 6.573 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102653940 554997511 /nfs/dbraw/zinc/99/75/11/554997511.db2.gz BSCJSQIBGKIKJB-LQRKZSIOSA-N -1 1 588.657 6.573 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102654057 554997807 /nfs/dbraw/zinc/99/78/07/554997807.db2.gz OBDJIKCBQWKQNK-ZHHPLPSFSA-N -1 1 579.428 5.465 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102654867 554998059 /nfs/dbraw/zinc/99/80/59/554998059.db2.gz ITVQGEYQNUMPBG-PLWHFILJSA-N -1 1 585.707 6.097 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102656169 554999105 /nfs/dbraw/zinc/99/91/05/554999105.db2.gz HAHPEXHKRBPKDI-SMOAUKQDSA-N -1 1 628.747 7.222 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102657900 554999583 /nfs/dbraw/zinc/99/95/83/554999583.db2.gz AVHYVSJRHSXRKN-BGLRTBKGSA-N -1 1 574.630 6.183 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102657900 554999584 /nfs/dbraw/zinc/99/95/84/554999584.db2.gz AVHYVSJRHSXRKN-BGLRTBKGSA-N -1 1 574.630 6.183 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102660273 555000178 /nfs/dbraw/zinc/00/01/78/555000178.db2.gz RKHMZLNNNWTEFP-HALAOQOWSA-N -1 1 594.089 6.573 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102663316 555001241 /nfs/dbraw/zinc/00/12/41/555001241.db2.gz KAPDSUHUCHCXDB-AMKIGSDESA-N -1 1 539.613 5.375 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102663316 555001242 /nfs/dbraw/zinc/00/12/42/555001242.db2.gz KAPDSUHUCHCXDB-AMKIGSDESA-N -1 1 539.613 5.375 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000102667636 555001951 /nfs/dbraw/zinc/00/19/51/555001951.db2.gz DKXXGKSFOXWGCC-LFVOPCPISA-N -1 1 514.719 5.032 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102671879 555002655 /nfs/dbraw/zinc/00/26/55/555002655.db2.gz FQDRLVDWJCSRNM-CJJGVWJISA-N -1 1 542.613 5.826 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102675399 555003797 /nfs/dbraw/zinc/00/37/97/555003797.db2.gz QXAIZQWVOSSERS-HALAOQOWSA-N -1 1 594.089 6.573 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000102694123 555009548 /nfs/dbraw/zinc/00/95/48/555009548.db2.gz BCTWYBKXENCARJ-COUQNMRISA-N -1 1 515.547 5.456 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102694901 555010131 /nfs/dbraw/zinc/01/01/31/555010131.db2.gz GDLVRPWBXQBPCI-SBXHHDGASA-N -1 1 500.576 5.557 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2OC)cc1C ZINC000102703830 555013726 /nfs/dbraw/zinc/01/37/26/555013726.db2.gz PEGWPKVDVWBSOC-NXLSWJSLSA-N -1 1 500.576 5.557 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102705193 555014356 /nfs/dbraw/zinc/01/43/56/555014356.db2.gz KTHWANXJBSLOAC-NPJIAGGLSA-N -1 1 530.602 5.647 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102706140 555014549 /nfs/dbraw/zinc/01/45/49/555014549.db2.gz KKOHCGAXQOCPFV-DHJMZRGKSA-N -1 1 528.630 6.337 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102705916 555014683 /nfs/dbraw/zinc/01/46/83/555014683.db2.gz PTIWNDBRCYGKPT-JBCNATCCSA-N -1 1 506.605 5.564 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102705916 555014685 /nfs/dbraw/zinc/01/46/85/555014685.db2.gz PTIWNDBRCYGKPT-JBCNATCCSA-N -1 1 506.605 5.564 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000102706472 555015063 /nfs/dbraw/zinc/01/50/63/555015063.db2.gz AFQHFMXQWASFCF-BUANBSPESA-N -1 1 515.547 5.456 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102710385 555016414 /nfs/dbraw/zinc/01/64/14/555016414.db2.gz JKOPZSSXKXJOAY-IUKMQXEJSA-N -1 1 544.629 5.819 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102712474 555016956 /nfs/dbraw/zinc/01/69/56/555016956.db2.gz UGIYHJJUTUSNAH-SBXHHDGASA-N -1 1 535.021 6.156 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102712474 555016958 /nfs/dbraw/zinc/01/69/58/555016958.db2.gz UGIYHJJUTUSNAH-SBXHHDGASA-N -1 1 535.021 6.156 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102714680 555018302 /nfs/dbraw/zinc/01/83/02/555018302.db2.gz BJWHODQGDKLQJI-UUALVTFQSA-N -1 1 542.657 6.673 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102715977 555018477 /nfs/dbraw/zinc/01/84/77/555018477.db2.gz GUNMZNGXYWSPOT-HOGKFDNTSA-N -1 1 537.410 6.387 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102716618 555018964 /nfs/dbraw/zinc/01/89/64/555018964.db2.gz FYPDQXKAIRRFSC-IUKMQXEJSA-N -1 1 514.603 5.892 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102717787 555019318 /nfs/dbraw/zinc/01/93/18/555019318.db2.gz LUFYCUVMUWGTMX-CJJGVWJISA-N -1 1 528.630 6.282 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102722574 555020398 /nfs/dbraw/zinc/02/03/98/555020398.db2.gz SWGCEHWJSRNVME-HOGKFDNTSA-N -1 1 537.410 6.387 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102729595 555023325 /nfs/dbraw/zinc/02/33/25/555023325.db2.gz CNEWTBKKDQSXID-ZHHPLPSFSA-N -1 1 504.633 6.335 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102731179 555023781 /nfs/dbraw/zinc/02/37/81/555023781.db2.gz RFZCYXWEBPUVJR-SBXHHDGASA-N -1 1 516.575 5.257 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102732640 555024142 /nfs/dbraw/zinc/02/41/42/555024142.db2.gz ZFWYMDAVBKPKCH-NPJIAGGLSA-N -1 1 531.077 7.436 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102733242 555024308 /nfs/dbraw/zinc/02/43/08/555024308.db2.gz WXNFOXCFSFWUFY-CZNAVJSXSA-N -1 1 544.629 5.901 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102733303 555024367 /nfs/dbraw/zinc/02/43/67/555024367.db2.gz QHVBXNRPSJNWHZ-NXLSWJSLSA-N -1 1 500.576 5.502 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102735450 555025420 /nfs/dbraw/zinc/02/54/20/555025420.db2.gz FRAWSLHRNZFFGO-AIKCTZLLSA-N -1 1 516.619 5.727 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735484 555025511 /nfs/dbraw/zinc/02/55/11/555025511.db2.gz PQDRAEMNTKPHRV-YZUJGMDRSA-N -1 1 609.103 7.478 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735484 555025514 /nfs/dbraw/zinc/02/55/14/555025514.db2.gz PQDRAEMNTKPHRV-YZUJGMDRSA-N -1 1 609.103 7.478 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735494 555025614 /nfs/dbraw/zinc/02/56/14/555025614.db2.gz CEJVYLZAOQIIFB-NXLSVDECSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735494 555025616 /nfs/dbraw/zinc/02/56/16/555025616.db2.gz CEJVYLZAOQIIFB-NXLSVDECSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102735609 555025855 /nfs/dbraw/zinc/02/58/55/555025855.db2.gz AQEXSDXEEVLINK-KYWXLPDZSA-N -1 1 504.514 5.524 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000102736991 555026491 /nfs/dbraw/zinc/02/64/91/555026491.db2.gz GODSRMBHFPUGCQ-FECHNCLXSA-N -1 1 518.978 5.605 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000102736991 555026494 /nfs/dbraw/zinc/02/64/94/555026494.db2.gz GODSRMBHFPUGCQ-FECHNCLXSA-N -1 1 518.978 5.605 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736940 555026544 /nfs/dbraw/zinc/02/65/44/555026544.db2.gz CSORDWJNGNFVGM-YMCWBSDSSA-N -1 1 531.521 5.293 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102770993 555059044 /nfs/dbraw/zinc/05/90/44/555059044.db2.gz TVEJMXCEMCTENZ-NSOCNUKWSA-N -1 1 601.725 7.043 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102770993 555059048 /nfs/dbraw/zinc/05/90/48/555059048.db2.gz TVEJMXCEMCTENZ-NSOCNUKWSA-N -1 1 601.725 7.043 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102770965 555059074 /nfs/dbraw/zinc/05/90/74/555059074.db2.gz FWFREGLYWZXMRU-NSOCNUKWSA-N -1 1 618.180 7.557 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102770965 555059076 /nfs/dbraw/zinc/05/90/76/555059076.db2.gz FWFREGLYWZXMRU-NSOCNUKWSA-N -1 1 618.180 7.557 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102770985 555059097 /nfs/dbraw/zinc/05/90/97/555059097.db2.gz RXJGTPYEQMADRS-NSOCNUKWSA-N -1 1 618.180 7.557 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102770985 555059098 /nfs/dbraw/zinc/05/90/98/555059098.db2.gz RXJGTPYEQMADRS-NSOCNUKWSA-N -1 1 618.180 7.557 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102771051 555059390 /nfs/dbraw/zinc/05/93/90/555059390.db2.gz MBJZNLIDCLIYCQ-BBHOXHGRSA-N -1 1 517.006 6.208 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102771119 555059684 /nfs/dbraw/zinc/05/96/84/555059684.db2.gz IGSAGWVPIMZPNS-KWBQTAPJSA-N -1 1 514.578 6.002 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771283 555060011 /nfs/dbraw/zinc/06/00/11/555060011.db2.gz UHFASTFAGTWKTI-YMCWBSDSSA-N -1 1 520.969 6.039 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccnc3)ccc2O1 ZINC000102771479 555060613 /nfs/dbraw/zinc/06/06/13/555060613.db2.gz CCBGHMPPSNXIIF-LHRXRZTBSA-N -1 1 503.967 5.294 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102856754 555087974 /nfs/dbraw/zinc/08/79/74/555087974.db2.gz MCJKGDYVWPLUEZ-COUQNMRISA-N -1 1 504.995 6.201 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102856888 555088337 /nfs/dbraw/zinc/08/83/37/555088337.db2.gz OVHMBNTWJUZOIV-NXLSWJSLSA-N -1 1 530.602 5.647 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102857412 555088872 /nfs/dbraw/zinc/08/88/72/555088872.db2.gz FYTXPZJUMOYDFS-IUKMQXEJSA-N -1 1 576.627 5.356 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102857412 555088874 /nfs/dbraw/zinc/08/88/74/555088874.db2.gz FYTXPZJUMOYDFS-IUKMQXEJSA-N -1 1 576.627 5.356 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102864136 555093927 /nfs/dbraw/zinc/09/39/27/555093927.db2.gz RYXFTQPWDLOPIF-NPJIAGGLSA-N -1 1 570.623 5.974 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102864136 555093929 /nfs/dbraw/zinc/09/39/29/555093929.db2.gz RYXFTQPWDLOPIF-NPJIAGGLSA-N -1 1 570.623 5.974 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102864459 555094207 /nfs/dbraw/zinc/09/42/07/555094207.db2.gz DUOFRRLJEVBJBO-ZZIWUOEGSA-N -1 1 563.473 6.701 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102867235 555096626 /nfs/dbraw/zinc/09/66/26/555096626.db2.gz KXUKOWRWRPGNAR-LLAWDOGUSA-N -1 1 556.640 6.043 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccccc3F)cc2)c1 ZINC000102867700 555096968 /nfs/dbraw/zinc/09/69/68/555096968.db2.gz CYLVDLXPKPSPMI-NXLSWJSLSA-N -1 1 500.551 5.796 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102867957 555097411 /nfs/dbraw/zinc/09/74/11/555097411.db2.gz FQJIQSAXMSOJLR-WGQAXHKASA-N -1 1 533.005 5.908 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102867957 555097414 /nfs/dbraw/zinc/09/74/14/555097414.db2.gz FQJIQSAXMSOJLR-WGQAXHKASA-N -1 1 533.005 5.908 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000102868219 555097603 /nfs/dbraw/zinc/09/76/03/555097603.db2.gz WGDPEFJPAZPAHW-NPJIAGGLSA-N -1 1 527.602 5.369 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccccc2)nc1C ZINC000102868956 555098199 /nfs/dbraw/zinc/09/81/99/555098199.db2.gz SVQSEUZMTQGZSR-CJJGVWJISA-N -1 1 538.625 6.168 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccccc2)nc1C ZINC000102868956 555098202 /nfs/dbraw/zinc/09/82/02/555098202.db2.gz SVQSEUZMTQGZSR-CJJGVWJISA-N -1 1 538.625 6.168 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102869017 555098208 /nfs/dbraw/zinc/09/82/08/555098208.db2.gz VUGMDOQBIHBHKQ-FPRSLYQBSA-N -1 1 570.667 6.434 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000102869990 555099801 /nfs/dbraw/zinc/09/98/01/555099801.db2.gz UVMKHUYRQJGVOS-AFSDHNFUSA-N -1 1 604.684 6.890 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870044 555100085 /nfs/dbraw/zinc/10/00/85/555100085.db2.gz DINGZXPGZDTWAZ-OGHRCCBNSA-N -1 1 540.597 5.341 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102870507 555100657 /nfs/dbraw/zinc/10/06/57/555100657.db2.gz UHVXCIDVHLRYIN-YJMWBXFMSA-N -1 1 627.788 7.349 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870691 555100939 /nfs/dbraw/zinc/10/09/39/555100939.db2.gz YEOGAGWOQUCRTC-QBCYBHDASA-N -1 1 568.695 7.123 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102874509 555104579 /nfs/dbraw/zinc/10/45/79/555104579.db2.gz HBDCCRXFAPMWQP-WOOAAIBNSA-N -1 1 547.416 5.488 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102874814 555104807 /nfs/dbraw/zinc/10/48/07/555104807.db2.gz BZCRFEHPOSDKTJ-HOGKFDNTSA-N -1 1 535.419 6.002 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102874814 555104808 /nfs/dbraw/zinc/10/48/08/555104808.db2.gz BZCRFEHPOSDKTJ-HOGKFDNTSA-N -1 1 535.419 6.002 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102876784 555106591 /nfs/dbraw/zinc/10/65/91/555106591.db2.gz CUYXTFNSLFHMGL-NXLSWJSLSA-N -1 1 500.576 5.720 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102877477 555106895 /nfs/dbraw/zinc/10/68/95/555106895.db2.gz WGMBQHBFLJNBNP-OBVHCKHUSA-N -1 1 506.605 5.618 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102882332 555110798 /nfs/dbraw/zinc/11/07/98/555110798.db2.gz BEKDGCSYYPRSCE-HFEWCJDKSA-N -1 1 509.414 6.846 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102882332 555110800 /nfs/dbraw/zinc/11/08/00/555110800.db2.gz BEKDGCSYYPRSCE-HFEWCJDKSA-N -1 1 509.414 6.846 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102882863 555111067 /nfs/dbraw/zinc/11/10/67/555111067.db2.gz WSYBYPDDOWEQBK-NXLSWJSLSA-N -1 1 535.021 6.373 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102882780 555111106 /nfs/dbraw/zinc/11/11/06/555111106.db2.gz PTZNZLBNZAIQDZ-AYWGPLOBSA-N -1 1 504.539 5.469 50 30 KKEAMM CCCCCCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000102883684 555112309 /nfs/dbraw/zinc/11/23/09/555112309.db2.gz ZZDSAKVLLFPQPB-HSZRJFAPSA-N -1 1 590.379 8.931 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102883964 555112638 /nfs/dbraw/zinc/11/26/38/555112638.db2.gz MHVXHOIJVWPATE-NPJIAGGLSA-N -1 1 530.602 5.647 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102884397 555113180 /nfs/dbraw/zinc/11/31/80/555113180.db2.gz OTXXBHSWGZPQHC-IQKFOVTFSA-N -1 1 600.693 6.498 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102884343 555113228 /nfs/dbraw/zinc/11/32/28/555113228.db2.gz CDONGKQZFJKPBD-FSDXSRJSSA-N -1 1 606.125 6.442 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102884509 555113434 /nfs/dbraw/zinc/11/34/34/555113434.db2.gz YIKQTLLLXBSNNU-WGGXKBPPSA-N -1 1 600.693 6.662 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102884509 555113436 /nfs/dbraw/zinc/11/34/36/555113436.db2.gz YIKQTLLLXBSNNU-WGGXKBPPSA-N -1 1 600.693 6.662 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102884614 555113851 /nfs/dbraw/zinc/11/38/51/555113851.db2.gz YFWOYGQNZBQIRY-FWOIGAHVSA-N -1 1 563.031 5.917 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102884614 555113853 /nfs/dbraw/zinc/11/38/53/555113853.db2.gz YFWOYGQNZBQIRY-FWOIGAHVSA-N -1 1 563.031 5.917 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102884699 555114172 /nfs/dbraw/zinc/11/41/72/555114172.db2.gz RVAABEGGFIOPMS-IIHDFJPDSA-N -1 1 576.671 5.757 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102884699 555114174 /nfs/dbraw/zinc/11/41/74/555114174.db2.gz RVAABEGGFIOPMS-IIHDFJPDSA-N -1 1 576.671 5.757 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102884800 555114555 /nfs/dbraw/zinc/11/45/55/555114555.db2.gz RVRONKCYPLHIOQ-QBTYMPIYSA-N -1 1 556.640 5.962 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102886063 555116294 /nfs/dbraw/zinc/11/62/94/555116294.db2.gz LRAVKVKLASRJQM-HAQIDCBSSA-N -1 1 591.483 6.407 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102886640 555117289 /nfs/dbraw/zinc/11/72/89/555117289.db2.gz BYFNZARDCCOXRA-UJWLLDLUSA-N -1 1 542.613 5.653 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102887159 555118424 /nfs/dbraw/zinc/11/84/24/555118424.db2.gz IHNBFGHVAILJJJ-BGLRTBKGSA-N -1 1 602.665 5.671 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102887159 555118427 /nfs/dbraw/zinc/11/84/27/555118427.db2.gz IHNBFGHVAILJJJ-BGLRTBKGSA-N -1 1 602.665 5.671 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000102887295 555118803 /nfs/dbraw/zinc/11/88/03/555118803.db2.gz YZPKENIGULFGEA-WNQPQFFOSA-N -1 1 620.152 6.832 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000102887300 555118983 /nfs/dbraw/zinc/11/89/83/555118983.db2.gz YZPKENIGULFGEA-AMKIGSDESA-N -1 1 620.152 6.832 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102887307 555118992 /nfs/dbraw/zinc/11/89/92/555118992.db2.gz BBQMRYCDWAPUOX-FZIYRNTBSA-N -1 1 617.724 6.708 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102887565 555119515 /nfs/dbraw/zinc/11/95/15/555119515.db2.gz BCISEXAPTLXODK-LOTNQUKISA-N -1 1 628.747 7.078 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102887565 555119517 /nfs/dbraw/zinc/11/95/17/555119517.db2.gz BCISEXAPTLXODK-LOTNQUKISA-N -1 1 628.747 7.078 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000102887753 555120166 /nfs/dbraw/zinc/12/01/66/555120166.db2.gz BOLUSANVDUIYRP-VMFRQMAUSA-N -1 1 632.735 6.322 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000102887753 555120168 /nfs/dbraw/zinc/12/01/68/555120168.db2.gz BOLUSANVDUIYRP-VMFRQMAUSA-N -1 1 632.735 6.322 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888179 555120787 /nfs/dbraw/zinc/12/07/87/555120787.db2.gz LUCRLSAIIVDYBP-QMNXYOJKSA-N -1 1 598.721 7.214 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102888065 555120889 /nfs/dbraw/zinc/12/08/89/555120889.db2.gz LQPONVLMFCMRNH-MOBKVPTQSA-N -1 1 522.941 5.486 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102888232 555121109 /nfs/dbraw/zinc/12/11/09/555121109.db2.gz FTRYHJRPKQUPAD-DFXXOVSGSA-N -1 1 586.666 6.190 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102888738 555122203 /nfs/dbraw/zinc/12/22/03/555122203.db2.gz YRQQHAVJLJHLBP-QNIVJUIWSA-N -1 1 546.645 5.783 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102889306 555123536 /nfs/dbraw/zinc/12/35/36/555123536.db2.gz RCMYYDQKANRILW-LXIOPLLASA-N -1 1 576.602 5.411 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102890226 555125222 /nfs/dbraw/zinc/12/52/22/555125222.db2.gz HOXAEDYQXMPAGZ-NXLSWJSLSA-N -1 1 527.558 5.565 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102891188 555126825 /nfs/dbraw/zinc/12/68/25/555126825.db2.gz HCGBABHEXWJFNQ-OGHRCCBNSA-N -1 1 606.125 6.442 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102891278 555126868 /nfs/dbraw/zinc/12/68/68/555126868.db2.gz SJBLOZWZIUCVCX-HOGKFDNTSA-N -1 1 539.396 6.001 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102891089 555126921 /nfs/dbraw/zinc/12/69/21/555126921.db2.gz AIVIMROTDBANQX-XTUFCYCQSA-N -1 1 554.668 6.768 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(Cl)c2)s1 ZINC000102891657 555127495 /nfs/dbraw/zinc/12/74/95/555127495.db2.gz JXCNHQWCRJHISQ-SBXHHDGASA-N -1 1 532.021 6.014 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102893201 555130233 /nfs/dbraw/zinc/13/02/33/555130233.db2.gz POTISKLPGDLMIO-VDGASQMCSA-N -1 1 624.715 6.582 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102893201 555130235 /nfs/dbraw/zinc/13/02/35/555130235.db2.gz POTISKLPGDLMIO-VDGASQMCSA-N -1 1 624.715 6.582 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102893382 555130688 /nfs/dbraw/zinc/13/06/88/555130688.db2.gz JVMCZBMULSOTSG-CJJGVWJISA-N -1 1 604.637 5.118 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000102893378 555130813 /nfs/dbraw/zinc/13/08/13/555130813.db2.gz AKTJLYXQLCEYGW-XCSSDTEYSA-N -1 1 588.682 5.923 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000102893378 555130816 /nfs/dbraw/zinc/13/08/16/555130816.db2.gz AKTJLYXQLCEYGW-XCSSDTEYSA-N -1 1 588.682 5.923 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102893897 555131584 /nfs/dbraw/zinc/13/15/84/555131584.db2.gz GPZUMBYBKUHHCP-NPJIAGGLSA-N -1 1 544.585 5.101 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102893897 555131587 /nfs/dbraw/zinc/13/15/87/555131587.db2.gz GPZUMBYBKUHHCP-NPJIAGGLSA-N -1 1 544.585 5.101 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102893992 555131989 /nfs/dbraw/zinc/13/19/89/555131989.db2.gz KKPWALZUXYAKGA-IUKMQXEJSA-N -1 1 560.628 5.519 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102894259 555132232 /nfs/dbraw/zinc/13/22/32/555132232.db2.gz JREQFQJRWVZUGC-ONQGDUAMSA-N -1 1 570.667 6.390 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102894933 555133226 /nfs/dbraw/zinc/13/32/26/555133226.db2.gz HAKRXRLBKBWRLF-QMNXYOJKSA-N -1 1 598.721 6.988 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102894927 555133261 /nfs/dbraw/zinc/13/32/61/555133261.db2.gz HAKRXRLBKBWRLF-DDLSXHCZSA-N -1 1 598.721 6.988 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102895050 555133488 /nfs/dbraw/zinc/13/34/88/555133488.db2.gz CQPSKRMPVMJZKL-CWMDRHISSA-N -1 1 572.639 5.662 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)nc1C ZINC000102895446 555134390 /nfs/dbraw/zinc/13/43/90/555134390.db2.gz JDLZKCFRKQXHFM-IUKMQXEJSA-N -1 1 539.613 5.563 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102895575 555134741 /nfs/dbraw/zinc/13/47/41/555134741.db2.gz HCJFTVHQOUHVGT-QMMFTLRZSA-N -1 1 614.720 6.970 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102895645 555134977 /nfs/dbraw/zinc/13/49/77/555134977.db2.gz LMQXEFVJGNISHN-HWTUVFLMSA-N -1 1 584.694 6.824 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102897065 555137170 /nfs/dbraw/zinc/13/71/70/555137170.db2.gz ZHSFQIIDEAFQJI-NEMSTITPSA-N -1 1 571.680 5.789 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102897504 555137842 /nfs/dbraw/zinc/13/78/42/555137842.db2.gz QXKVWGXGEMNDAN-AYWGPLOBSA-N -1 1 579.428 5.465 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102898099 555138282 /nfs/dbraw/zinc/13/82/82/555138282.db2.gz RYSHPFHGJJEEDV-LOOKCOSASA-N -1 1 568.651 6.071 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102898099 555138284 /nfs/dbraw/zinc/13/82/84/555138284.db2.gz RYSHPFHGJJEEDV-LOOKCOSASA-N -1 1 568.651 6.071 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000102899336 555139125 /nfs/dbraw/zinc/13/91/25/555139125.db2.gz YPBOISFCJDBTFU-UTDZTPKCSA-N -1 1 590.657 7.103 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102899735 555139307 /nfs/dbraw/zinc/13/93/07/555139307.db2.gz MONFEMFFBKCPMI-SMOAUKQDSA-N -1 1 628.747 7.222 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102899735 555139310 /nfs/dbraw/zinc/13/93/10/555139310.db2.gz MONFEMFFBKCPMI-SMOAUKQDSA-N -1 1 628.747 7.222 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102899737 555139316 /nfs/dbraw/zinc/13/93/16/555139316.db2.gz BNINGGZXPYQADM-XXAHXYPMSA-N -1 1 628.747 7.078 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000102899745 555139333 /nfs/dbraw/zinc/13/93/33/555139333.db2.gz QPRLDBQZBPKYTG-DFXXOVSGSA-N -1 1 596.705 6.704 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000102899747 555139424 /nfs/dbraw/zinc/13/94/24/555139424.db2.gz QPRLDBQZBPKYTG-TXTDGAROSA-N -1 1 596.705 6.704 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1OC ZINC000102925072 555149434 /nfs/dbraw/zinc/14/94/34/555149434.db2.gz PLXCAGJPOADPOF-MOBKVPTQSA-N -1 1 541.398 5.378 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102925824 555150146 /nfs/dbraw/zinc/15/01/46/555150146.db2.gz RCUKABCHTKFLLA-MOBKVPTQSA-N -1 1 520.607 5.305 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102926825 555151503 /nfs/dbraw/zinc/15/15/03/555151503.db2.gz NUQQCOUHJBDLPL-DFXXOVSGSA-N -1 1 628.703 6.246 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102928270 555153474 /nfs/dbraw/zinc/15/34/74/555153474.db2.gz UCXHVGBFWUMFAY-NXLSWJSLSA-N -1 1 500.576 5.638 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102928580 555154201 /nfs/dbraw/zinc/15/42/01/555154201.db2.gz WAPPVURPGKXBEW-SBXHHDGASA-N -1 1 518.566 5.777 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102928580 555154203 /nfs/dbraw/zinc/15/42/03/555154203.db2.gz WAPPVURPGKXBEW-SBXHHDGASA-N -1 1 518.566 5.777 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102930137 555156497 /nfs/dbraw/zinc/15/64/97/555156497.db2.gz PWUDYMRKDCWQGG-HOGKFDNTSA-N -1 1 508.958 6.114 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000102937674 555165675 /nfs/dbraw/zinc/16/56/75/555165675.db2.gz GANGEFSBEGNLFZ-QHCPKHFHSA-N -1 1 612.041 5.329 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000103928911 571369962 /nfs/dbraw/zinc/36/99/62/571369962.db2.gz IXIGOZMKYFEVSS-YDJIHCHBSA-N -1 1 561.443 5.878 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000103929038 571370113 /nfs/dbraw/zinc/37/01/13/571370113.db2.gz GYUDLXVMAZJHKC-CJJGVWJISA-N -1 1 584.650 6.364 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCCC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000106014918 571410281 /nfs/dbraw/zinc/41/02/81/571410281.db2.gz XSNYUNULXNPZAW-XWHIBYANSA-N -1 1 556.703 7.266 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1 ZINC000108448457 571424231 /nfs/dbraw/zinc/42/42/31/571424231.db2.gz QBHFNFLBWWPGKN-NRFANRHFSA-N -1 1 560.599 6.463 50 30 biogenic KKEAMM CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1 ZINC000108448459 571424285 /nfs/dbraw/zinc/42/42/85/571424285.db2.gz QBHFNFLBWWPGKN-OAQYLSRUSA-N -1 1 560.599 6.463 50 30 biogenic KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000150391814 571474103 /nfs/dbraw/zinc/47/41/03/571474103.db2.gz JSTOTQSGCXBOQK-MIOXIQPJSA-N -1 1 640.714 6.412 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150418394 571486539 /nfs/dbraw/zinc/48/65/39/571486539.db2.gz JCTKKPYJMAPTQD-XTUFCYCQSA-N -1 1 647.750 6.717 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000150422217 571488240 /nfs/dbraw/zinc/48/82/40/571488240.db2.gz VVFUEDKKESHPCC-NBXYUPGTSA-N -1 1 689.831 7.743 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000150422222 571488327 /nfs/dbraw/zinc/48/83/27/571488327.db2.gz VVFUEDKKESHPCC-JNYBUSFRSA-N -1 1 689.831 7.743 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000150424588 571489175 /nfs/dbraw/zinc/48/91/75/571489175.db2.gz XJUWVZQRZBIWQF-NBXYUPGTSA-N -1 1 689.831 7.743 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150426543 571490759 /nfs/dbraw/zinc/49/07/59/571490759.db2.gz GLFTVGYGNRKUDZ-JRPVAJNPSA-N -1 1 668.580 6.874 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCCCC)c(OC)c2)nc1C ZINC000150432935 571494260 /nfs/dbraw/zinc/49/42/60/571494260.db2.gz JKPRQEZJPPJMGG-SSEXGKCCSA-N -1 1 662.805 7.724 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCCCC)c(OC)c2)nc1C ZINC000150432941 571494295 /nfs/dbraw/zinc/49/42/95/571494295.db2.gz JKPRQEZJPPJMGG-PMERELPUSA-N -1 1 662.805 7.724 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000150432507 571494347 /nfs/dbraw/zinc/49/43/47/571494347.db2.gz VJCSTSLGBRFYMI-QFIPXVFZSA-N -1 1 627.012 5.229 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000150433283 571494493 /nfs/dbraw/zinc/49/44/93/571494493.db2.gz LAODITYOIOZXIK-QFIPXVFZSA-N -1 1 616.460 5.974 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000150433216 571494557 /nfs/dbraw/zinc/49/45/57/571494557.db2.gz RPRIMFQWZFVAEE-QFIPXVFZSA-N -1 1 616.460 5.974 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000150435020 571495087 /nfs/dbraw/zinc/49/50/87/571495087.db2.gz FPVFTTCDKDOMTH-ZHHPLPSFSA-N -1 1 630.506 6.674 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000150435632 571495429 /nfs/dbraw/zinc/49/54/29/571495429.db2.gz RWRGISZWCFFKKW-DNPZSINUSA-N -1 1 632.738 7.532 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000150435617 571495523 /nfs/dbraw/zinc/49/55/23/571495523.db2.gz RXPCOCGRINZVLD-HWTUVFLMSA-N -1 1 640.714 6.166 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000150435617 571495524 /nfs/dbraw/zinc/49/55/24/571495524.db2.gz RXPCOCGRINZVLD-HWTUVFLMSA-N -1 1 640.714 6.166 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150435433 571495576 /nfs/dbraw/zinc/49/55/76/571495576.db2.gz KMDPUFFMEZVRFZ-WOMAKPEMSA-N -1 1 646.765 7.841 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435699 571495805 /nfs/dbraw/zinc/49/58/05/571495805.db2.gz CVRCQYXBOWAUFY-SPJLHVSVSA-N -1 1 662.764 7.622 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435692 571495838 /nfs/dbraw/zinc/49/58/38/571495838.db2.gz CVRCQYXBOWAUFY-ZTRTVBDWSA-N -1 1 662.764 7.622 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000150435808 571495909 /nfs/dbraw/zinc/49/59/09/571495909.db2.gz CZRCHTXRGJGTMN-TXTDGAROSA-N -1 1 642.686 5.613 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000150442524 571498958 /nfs/dbraw/zinc/49/89/58/571498958.db2.gz MNQKQHMEYBXAKP-HOGKFDNTSA-N -1 1 616.460 5.817 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150445089 571500058 /nfs/dbraw/zinc/50/00/58/571500058.db2.gz YYWQOSSROGXSSI-SMZGYIOJSA-N -1 1 639.129 7.487 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150445196 571500067 /nfs/dbraw/zinc/50/00/67/571500067.db2.gz SFWZOGMPTPFLIR-SZYGQJGOSA-N -1 1 660.748 7.934 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445846 571500625 /nfs/dbraw/zinc/50/06/25/571500625.db2.gz OFZMUGYCGMCRGQ-QJGFIUGVSA-N -1 1 662.233 8.003 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150453840 571503780 /nfs/dbraw/zinc/50/37/80/571503780.db2.gz CODIWSAMCZRTLB-NXLSWJSLSA-N -1 1 639.480 5.569 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000150457799 571504966 /nfs/dbraw/zinc/50/49/66/571504966.db2.gz BQOSLCLEHXRQHI-MIOXIQPJSA-N -1 1 635.138 7.315 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457410 571505068 /nfs/dbraw/zinc/50/50/68/571505068.db2.gz GOTFXUMMRMZYHF-QJGFIUGVSA-N -1 1 641.771 6.744 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150457915 571505186 /nfs/dbraw/zinc/50/51/86/571505186.db2.gz OYVLFCJSEYMCOG-NBXYUPGTSA-N -1 1 665.768 7.498 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150458493 571505532 /nfs/dbraw/zinc/50/55/32/571505532.db2.gz NCJXTFSZHJPPNU-HUVRIODYSA-N -1 1 677.848 8.502 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150459439 571505705 /nfs/dbraw/zinc/50/57/05/571505705.db2.gz MGBFBEXJEZOLBN-CFQDGGCTSA-N -1 1 672.759 8.100 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150460308 571505894 /nfs/dbraw/zinc/50/58/94/571505894.db2.gz PSQUSMYICFTOTI-UZGIXAGNSA-N -1 1 692.259 8.011 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150460574 571506040 /nfs/dbraw/zinc/50/60/40/571506040.db2.gz OGZWQOFRWNQHLP-NBXYUPGTSA-N -1 1 689.831 7.887 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150460658 571506092 /nfs/dbraw/zinc/50/60/92/571506092.db2.gz IEOXKJNPQFGQCR-VEZPTTSMSA-N -1 1 641.101 6.935 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150460450 571506115 /nfs/dbraw/zinc/50/61/15/571506115.db2.gz ALQKXVGNBJDBLA-LHKMDIPOSA-N -1 1 661.777 7.107 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150461051 571506332 /nfs/dbraw/zinc/50/63/32/571506332.db2.gz DYYSCCKMEOSIMP-JNYBUSFRSA-N -1 1 649.794 7.722 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150462852 571506708 /nfs/dbraw/zinc/50/67/08/571506708.db2.gz GDOOMUPVZBWQEQ-LCWNDPLPSA-N -1 1 634.710 6.842 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150462852 571506709 /nfs/dbraw/zinc/50/67/09/571506709.db2.gz GDOOMUPVZBWQEQ-LCWNDPLPSA-N -1 1 634.710 6.842 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150462767 571506774 /nfs/dbraw/zinc/50/67/74/571506774.db2.gz RXELSXPDPPZQLN-NNZNMFTDSA-N -1 1 682.223 8.013 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150463874 571507438 /nfs/dbraw/zinc/50/74/38/571507438.db2.gz GHIQIZFTIAXKMO-RWMNMRIUSA-N -1 1 657.814 7.358 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150463850 571507477 /nfs/dbraw/zinc/50/74/77/571507477.db2.gz FWSCFIOLGYGWHX-QCRSBAEDSA-N -1 1 693.847 8.121 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150466099 571507940 /nfs/dbraw/zinc/50/79/40/571507940.db2.gz LBDPJTIUJPUCTP-NNZNMFTDSA-N -1 1 666.752 6.722 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150466099 571507941 /nfs/dbraw/zinc/50/79/41/571507941.db2.gz LBDPJTIUJPUCTP-NNZNMFTDSA-N -1 1 666.752 6.722 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150466148 571507947 /nfs/dbraw/zinc/50/79/47/571507947.db2.gz MXAJRSUWDWHJCK-VXJPNWOUSA-N -1 1 645.778 7.488 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150469949 571508986 /nfs/dbraw/zinc/50/89/86/571508986.db2.gz KQNDPJWQAGXGHK-WGGXKBPPSA-N -1 1 694.231 7.459 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150471597 571509727 /nfs/dbraw/zinc/50/97/27/571509727.db2.gz ZBTBGLGJEGZDSE-GRBPGWBESA-N -1 1 710.661 8.050 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150475148 571510690 /nfs/dbraw/zinc/51/06/90/571510690.db2.gz VANUDINXPKNXCS-MIOXIQPJSA-N -1 1 657.770 6.500 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150475100 571510733 /nfs/dbraw/zinc/51/07/33/571510733.db2.gz KWDAQVVVVWFOET-TXTDGAROSA-N -1 1 645.759 6.415 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150476326 571510849 /nfs/dbraw/zinc/51/08/49/571510849.db2.gz HSXAVPDVGAGPRN-LHKMDIPOSA-N -1 1 696.678 8.512 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150475835 571510866 /nfs/dbraw/zinc/51/08/66/571510866.db2.gz LAOGLNRQSDBICE-LOTNQUKISA-N -1 1 740.731 9.055 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150476833 571511084 /nfs/dbraw/zinc/51/10/84/571511084.db2.gz RFWJPSNBOKFQGD-TXTDGAROSA-N -1 1 664.205 7.306 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150480663 571512105 /nfs/dbraw/zinc/51/21/05/571512105.db2.gz ISIQXNWITAGHAT-TXTDGAROSA-N -1 1 698.650 7.960 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150481693 571512801 /nfs/dbraw/zinc/51/28/01/571512801.db2.gz KLRNWIFWGCGFSE-SBXHHDGASA-N -1 1 642.542 6.543 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000150484877 571515386 /nfs/dbraw/zinc/51/53/86/571515386.db2.gz GKZPVEVDUNHMNT-GMBUILNLSA-N -1 1 644.989 7.740 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150486357 571516359 /nfs/dbraw/zinc/51/63/59/571516359.db2.gz WGGTVAGDGFMINY-IZSGBISHSA-N -1 1 726.704 8.665 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150488567 571516832 /nfs/dbraw/zinc/51/68/32/571516832.db2.gz HYLRRDGDSNMCPX-CJJGVWJISA-N -1 1 636.151 6.670 50 30 KKEAMM Cc1c(Br)cc(C2(c3cc(Br)c(C)c(Br)c3O)OS(=O)(=O)c3ccccc32)c([O-])c1Br ZINC000163787974 571543314 /nfs/dbraw/zinc/54/33/14/571543314.db2.gz UTVKWETYMZZUCP-UHFFFAOYSA-N -1 1 698.021 6.775 50 30 KKEAMM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)cc1OC ZINC000217617762 571601719 /nfs/dbraw/zinc/60/17/19/571601719.db2.gz LBRJLXKPXIYOQQ-SFHVURJKSA-N -1 1 530.529 5.284 50 30 biogenic KKEAMM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1OC ZINC000263586581 572124290 /nfs/dbraw/zinc/12/42/90/572124290.db2.gz VXSDFOYTDMRXFX-IBGZPJMESA-N -1 1 544.556 5.587 50 30 KKEAMM CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1 ZINC000253406878 572286513 /nfs/dbraw/zinc/28/65/13/572286513.db2.gz JJSVMLBUBJEKGD-XMMPIXPASA-N -1 1 547.047 7.999 50 30 KKEAMM C=C(C)COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)ccc1OC ZINC000217797738 1071293118 /nfs/dbraw/zinc/29/31/18/1071293118.db2.gz VXDYVOMHJKDTSM-SFHVURJKSA-N -1 1 530.529 5.284 50 30 biogenic KKEAMM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(N=NCc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000254287214 1072842978 /nfs/dbraw/zinc/84/29/78/1072842978.db2.gz PGKDORDWRWBNRF-UHFFFAOYSA-N -1 1 532.534 5.332 50 30 KKEAMM COc1ccc([N-]S(=O)(=O)c2cccc(N=C3C=C(c4ccccc4)[C@@](O)(c4ccccc4)C3)c2)cc1 ZINC000254877331 1072888505 /nfs/dbraw/zinc/88/85/05/1072888505.db2.gz GPXVXPDRLPALHB-PMERELPUSA-N -1 1 510.615 5.944 50 30 KKEAMM Cc1ccccc1NC=C1C(=O)C(=O)C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)C(=CNc3ccccc3C)C(=O)C(=O)C4C(C)C)c([O-])c21 ZINC000150341874 291989522 /nfs/dbraw/zinc/98/95/22/291989522.db2.gz MCXDMGNXXINCKU-NAZWXXJZSA-N -1 1 696.844 9.920 50 30 biogenic,in-vitro KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000000631377 551505083 /nfs/dbraw/zinc/50/50/83/551505083.db2.gz ORGRCOUWMCHZCD-LJQANCHMSA-N -1 1 512.971 5.073 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000000702556 551529585 /nfs/dbraw/zinc/52/95/85/551529585.db2.gz BUPGSFIOHWNZNS-HHHXNRCGSA-N -1 1 584.650 6.033 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000000702556 551529588 /nfs/dbraw/zinc/52/95/88/551529588.db2.gz BUPGSFIOHWNZNS-HHHXNRCGSA-N -1 1 584.650 6.033 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000000702941 551529904 /nfs/dbraw/zinc/52/99/04/551529904.db2.gz VCGGMRRONIMNJB-NDEPHWFRSA-N -1 1 594.645 6.771 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3cccs3)sc2c1 ZINC000000703139 551530611 /nfs/dbraw/zinc/53/06/11/551530611.db2.gz JAVBZXOIYYCHAM-JOCHJYFZSA-N -1 1 502.573 6.286 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000000703136 551530695 /nfs/dbraw/zinc/53/06/95/551530695.db2.gz PZLLSQDSCDPDGB-DEOSSOPVSA-N -1 1 514.534 6.363 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000000703115 551530737 /nfs/dbraw/zinc/53/07/37/551530737.db2.gz CYYFCIWNGWOESQ-RUZDIDTESA-N -1 1 526.570 6.238 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)ccc1O ZINC000000720154 551536863 /nfs/dbraw/zinc/53/68/63/551536863.db2.gz DJXXFQVNMAHYHH-HSZRJFAPSA-N -1 1 508.368 5.645 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000000720348 551537109 /nfs/dbraw/zinc/53/71/09/551537109.db2.gz OVJISNFBOFEAQE-HSZRJFAPSA-N -1 1 536.378 5.336 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000000720348 551537112 /nfs/dbraw/zinc/53/71/12/551537112.db2.gz OVJISNFBOFEAQE-HSZRJFAPSA-N -1 1 536.378 5.336 50 30 KKEAMM COc1ccccc1[C@H]1c2c(=O)[n-]c(SCc3ccccc3Cl)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000000958604 551589851 /nfs/dbraw/zinc/58/98/51/551589851.db2.gz NJYZNHQRDVGEQS-OAQYLSRUSA-N -1 1 508.043 6.337 50 30 KKEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(F)cc1 ZINC000001175424 551620730 /nfs/dbraw/zinc/62/07/30/551620730.db2.gz QJWJZTNUTYDFGW-SONOPUAISA-N -1 1 529.524 5.499 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243791 551631211 /nfs/dbraw/zinc/63/12/11/551631211.db2.gz SEZWZILQHINOLR-IIMAJNMQSA-N -1 1 542.563 5.378 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001446893 551674199 /nfs/dbraw/zinc/67/41/99/551674199.db2.gz JFKKVWKRAIPTOI-XMMPIXPASA-N -1 1 546.601 5.422 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000001451432 551675975 /nfs/dbraw/zinc/67/59/75/551675975.db2.gz FTMBNLNDEOZMMM-NRFANRHFSA-N -1 1 523.408 6.306 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000001451425 551675994 /nfs/dbraw/zinc/67/59/94/551675994.db2.gz YSVCNPPUYNKYTM-RUZDIDTESA-N -1 1 544.629 6.030 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000001451411 551675999 /nfs/dbraw/zinc/67/59/99/551675999.db2.gz MTBHJPZZOUEDQD-RUZDIDTESA-N -1 1 544.629 6.058 50 30 KKEAMM COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457409 551677076 /nfs/dbraw/zinc/67/70/76/551677076.db2.gz PQRIYVITRYNSCS-ROTAYESASA-N -1 1 526.589 5.469 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000001464739 551679974 /nfs/dbraw/zinc/67/99/74/551679974.db2.gz PDHCAPGFNALBJQ-GOSISDBHSA-N -1 1 517.390 5.718 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001480134 551681495 /nfs/dbraw/zinc/68/14/95/551681495.db2.gz YZUATBVWXOERON-QHCPKHFHSA-N -1 1 532.574 5.114 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001480134 551681497 /nfs/dbraw/zinc/68/14/97/551681497.db2.gz YZUATBVWXOERON-QHCPKHFHSA-N -1 1 532.574 5.114 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480158 551681566 /nfs/dbraw/zinc/68/15/66/551681566.db2.gz JRMICMNWKBFTPR-QHCPKHFHSA-N -1 1 536.993 5.758 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001480609 551681583 /nfs/dbraw/zinc/68/15/83/551681583.db2.gz DYPROMHWCBPBNU-VWLOTQADSA-N -1 1 544.629 6.030 50 30 KKEAMM C=CC(C)(C)c1[nH]c2ccccc2c1C1C(=O)C(=O)C(c2c[nH]c3c2cccc3CC=C(C)C)=C([O-])C1=O ZINC000001489867 551682940 /nfs/dbraw/zinc/68/29/40/551682940.db2.gz XMGNJVXBPZAETK-UHFFFAOYSA-N -1 1 506.602 7.012 50 30 aggregator,in-vitro KKEAMM COc1cc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000002719409 552163635 /nfs/dbraw/zinc/16/36/35/552163635.db2.gz WQPJXNOQFIYCPB-QFIPXVFZSA-N -1 1 533.650 5.701 50 30 KKEAMM O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)c1c(=O)[n-]c(SCc3ccccc3Cl)nc1N2 ZINC000002719280 552163677 /nfs/dbraw/zinc/16/36/77/552163677.db2.gz VBNDLLUQEBMWJB-LJQANCHMSA-N -1 1 528.859 6.455 50 30 KKEAMM Cc1cccc2oc(-c3cc(/N=C/c4cc(Br)cc(Br)c4O)ccc3[O-])nc21 ZINC000003114211 552290082 /nfs/dbraw/zinc/29/00/82/552290082.db2.gz ZNFAKUTVWCHSSW-YSURURNPSA-N -1 1 502.162 6.490 50 30 KKEAMM CCCCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc21 ZINC000003277198 552334320 /nfs/dbraw/zinc/33/43/20/552334320.db2.gz LJXYSSYCJMNYHR-UHFFFAOYSA-N -1 1 521.679 7.946 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000005355134 552498304 /nfs/dbraw/zinc/49/83/04/552498304.db2.gz HBJUQQYSRAUAOQ-NRFANRHFSA-N -1 1 541.025 5.772 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000005355110 552498308 /nfs/dbraw/zinc/49/83/08/552498308.db2.gz WVTFNGPSJIBKRF-QHCPKHFHSA-N -1 1 534.634 5.817 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000005355110 552498309 /nfs/dbraw/zinc/49/83/09/552498309.db2.gz WVTFNGPSJIBKRF-QHCPKHFHSA-N -1 1 534.634 5.817 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000005355334 552498506 /nfs/dbraw/zinc/49/85/06/552498506.db2.gz BGRHDNBMPHXXDE-RUZDIDTESA-N -1 1 562.688 6.632 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000005355470 552498596 /nfs/dbraw/zinc/49/85/96/552498596.db2.gz UKDHYFXGXGGTPC-QHCPKHFHSA-N -1 1 534.634 5.817 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000005355470 552498597 /nfs/dbraw/zinc/49/85/97/552498597.db2.gz UKDHYFXGXGGTPC-QHCPKHFHSA-N -1 1 534.634 5.817 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355426 552498625 /nfs/dbraw/zinc/49/86/25/552498625.db2.gz KOPJVESHNJQPNM-RUZDIDTESA-N -1 1 576.671 6.073 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005355697 552498954 /nfs/dbraw/zinc/49/89/54/552498954.db2.gz FMIDGHKECXYUNX-RUZDIDTESA-N -1 1 554.624 6.512 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005355697 552498956 /nfs/dbraw/zinc/49/89/56/552498956.db2.gz FMIDGHKECXYUNX-RUZDIDTESA-N -1 1 554.624 6.512 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)c(C)c1 ZINC000005357280 552499755 /nfs/dbraw/zinc/49/97/55/552499755.db2.gz JYCUKPBWJZSVNC-QFIPXVFZSA-N -1 1 553.036 5.938 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccccc2F)nc1C ZINC000005927725 552513039 /nfs/dbraw/zinc/51/30/39/552513039.db2.gz GLTAZSUVMUFFPX-JOCHJYFZSA-N -1 1 536.581 5.423 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000006143492 552545224 /nfs/dbraw/zinc/54/52/24/552545224.db2.gz CLEGOJOLOWANOT-HSZRJFAPSA-N -1 1 536.631 5.947 50 30 KKEAMM CCOC(=O)c1sc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1C ZINC000006146137 552547719 /nfs/dbraw/zinc/54/77/19/552547719.db2.gz IOGUYDXOFCOERF-UHFFFAOYSA-N -1 1 523.430 5.433 50 30 KKEAMM O=C(Nc1cc(I)ccc1Cl)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000006146814 552548532 /nfs/dbraw/zinc/54/85/32/552548532.db2.gz SYGFJQZEIVMUPY-UHFFFAOYSA-N -1 1 548.736 5.660 50 30 KKEAMM O=S(=O)([N-]c1ccc(-c2csc(NC([O-])=[NH+]c3cccc(Cl)c3)n2)cc1)c1ccc(Cl)cc1 ZINC000006146796 552548691 /nfs/dbraw/zinc/54/86/91/552548691.db2.gz GOAWXGKQIGJHLP-UHFFFAOYSA-N -1 1 519.435 6.575 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000006150607 552551417 /nfs/dbraw/zinc/55/14/17/552551417.db2.gz ZHZRYSKJTKPGCJ-HSZRJFAPSA-N -1 1 579.587 5.115 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC ZINC000008383414 552986514 /nfs/dbraw/zinc/98/65/14/552986514.db2.gz WTDQSOGZKIBMRO-SANMLTNESA-N -1 1 634.135 7.420 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC ZINC000008383410 552986579 /nfs/dbraw/zinc/98/65/79/552986579.db2.gz WTDQSOGZKIBMRO-AREMUKBSSA-N -1 1 634.135 7.420 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccs1 ZINC000008383407 552986597 /nfs/dbraw/zinc/98/65/97/552986597.db2.gz AFJDHUDRDUPQTC-NRFANRHFSA-N -1 1 566.085 7.074 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1O ZINC000008383464 552986793 /nfs/dbraw/zinc/98/67/93/552986793.db2.gz LFQNVNJPIDUGLU-RUZDIDTESA-N -1 1 603.653 6.603 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(OCc4ccccc4)cc3)s2)cc1 ZINC000008384005 552988247 /nfs/dbraw/zinc/98/82/47/552988247.db2.gz QTSGSSZGHKFXRY-WJOKGBTCSA-N -1 1 645.762 8.247 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1O ZINC000008384064 552988919 /nfs/dbraw/zinc/98/89/19/552988919.db2.gz QWFKBEYTFLQWEP-DEOSSOPVSA-N -1 1 606.081 6.727 50 30 KKEAMM CCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)[O-])c3ccccc3c2O)c1 ZINC000008399373 553001097 /nfs/dbraw/zinc/00/10/97/553001097.db2.gz PTIHKHKRINRKJX-UHFFFAOYSA-N -1 1 668.897 9.643 50 30 KKEAMM O=[N+]([O-])c1ccc(Nc2nc(N=NCc3cc(I)cc(I)c3[O-])nc(N3CCCCCC3)n2)cc1 ZINC000008403644 553006362 /nfs/dbraw/zinc/00/63/62/553006362.db2.gz KZKOOPCGOYQMNG-DHRITJCHSA-N -1 1 700.279 5.265 50 30 KKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000008439949 553036291 /nfs/dbraw/zinc/03/62/91/553036291.db2.gz KZILOVKZHBEZGJ-NRFANRHFSA-N -1 1 532.312 6.259 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000008441140 553039548 /nfs/dbraw/zinc/03/95/48/553039548.db2.gz HRVWJIUOTWQXAW-HSZRJFAPSA-N -1 1 532.574 5.591 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccc(O)cc1 ZINC000008441216 553039953 /nfs/dbraw/zinc/03/99/53/553039953.db2.gz CRPJMSWAZJSHFV-HSZRJFAPSA-N -1 1 541.610 6.065 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccccc1F ZINC000008441270 553040138 /nfs/dbraw/zinc/04/01/38/553040138.db2.gz XEOVDIIBNWMQMX-QHCPKHFHSA-N -1 1 543.601 6.499 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000008441225 553040149 /nfs/dbraw/zinc/04/01/49/553040149.db2.gz MUJFCCUJMRIPPP-GDLZYMKVSA-N -1 1 617.708 8.152 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000008441679 553041489 /nfs/dbraw/zinc/04/14/89/553041489.db2.gz DGRZIWPPEZJVEX-XMMPIXPASA-N -1 1 514.990 7.096 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000008441679 553041492 /nfs/dbraw/zinc/04/14/92/553041492.db2.gz DGRZIWPPEZJVEX-XMMPIXPASA-N -1 1 514.990 7.096 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000008441715 553041760 /nfs/dbraw/zinc/04/17/60/553041760.db2.gz OUMGRERBGAAKRO-SSEXGKCCSA-N -1 1 596.705 7.876 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000008441723 553041777 /nfs/dbraw/zinc/04/17/77/553041777.db2.gz GOMVGANOABEUSP-YTTGMZPUSA-N -1 1 616.695 8.030 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000008441754 553042271 /nfs/dbraw/zinc/04/22/71/553042271.db2.gz DFPLGEHZUMTFMI-SSEXGKCCSA-N -1 1 588.641 8.016 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)o1 ZINC000008441803 553042304 /nfs/dbraw/zinc/04/23/04/553042304.db2.gz VJXQFUYZZURFSZ-AREMUKBSSA-N -1 1 579.659 7.414 50 30 KKEAMM CN(C)c1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441797 553042372 /nfs/dbraw/zinc/04/23/72/553042372.db2.gz MFXXQVHLQNVGPO-LJAQVGFWSA-N -1 1 618.740 7.579 50 30 KKEAMM CN(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441797 553042376 /nfs/dbraw/zinc/04/23/76/553042376.db2.gz MFXXQVHLQNVGPO-LJAQVGFWSA-N -1 1 618.740 7.579 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008740706 553132420 /nfs/dbraw/zinc/13/24/20/553132420.db2.gz JMUVNZQYDRPQIU-XMMPIXPASA-N -1 1 500.576 5.659 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000008827793 553156986 /nfs/dbraw/zinc/15/69/86/553156986.db2.gz XULUFLHLTVOAIM-LJQANCHMSA-N -1 1 503.736 5.190 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008837209 553163721 /nfs/dbraw/zinc/16/37/21/553163721.db2.gz JGAKBAHFZIOUST-HSZRJFAPSA-N -1 1 504.995 6.358 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)s1 ZINC000008845803 553166159 /nfs/dbraw/zinc/16/61/59/553166159.db2.gz QVLMGPHPSVYOLO-GYCJOSAFSA-N -1 1 519.623 5.378 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)s1 ZINC000008845803 553166161 /nfs/dbraw/zinc/16/61/61/553166161.db2.gz QVLMGPHPSVYOLO-GYCJOSAFSA-N -1 1 519.623 5.378 50 30 KKEAMM COc1ccc(/C=N/n2cc(-c3ccc(OC)cc3)nc2/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000008856883 553167733 /nfs/dbraw/zinc/16/77/33/553167733.db2.gz YWTHTIHEJLQJPN-NGIYISQISA-N -1 1 505.372 5.668 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000008894100 553177494 /nfs/dbraw/zinc/17/74/94/553177494.db2.gz AUBULNOVCWSDLU-HSZRJFAPSA-N -1 1 504.995 6.304 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000008894100 553177496 /nfs/dbraw/zinc/17/74/96/553177496.db2.gz AUBULNOVCWSDLU-HSZRJFAPSA-N -1 1 504.995 6.304 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000008894992 553178113 /nfs/dbraw/zinc/17/81/13/553178113.db2.gz JSIFSGKEGXQOEK-XMMPIXPASA-N -1 1 502.567 6.152 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000008896771 553179116 /nfs/dbraw/zinc/17/91/16/553179116.db2.gz VZUVENCFYAVSQI-HSZRJFAPSA-N -1 1 504.995 6.304 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000008896771 553179119 /nfs/dbraw/zinc/17/91/19/553179119.db2.gz VZUVENCFYAVSQI-HSZRJFAPSA-N -1 1 504.995 6.304 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000008900003 553181105 /nfs/dbraw/zinc/18/11/05/553181105.db2.gz BXUQAMPLIZSQJO-QFIPXVFZSA-N -1 1 508.502 5.375 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008934735 553193238 /nfs/dbraw/zinc/19/32/38/553193238.db2.gz KPWXHJMPWCJMEA-VWLOTQADSA-N -1 1 500.595 6.904 50 30 KKEAMM CC1(C)SC(=S)N(/N=C/c2c(O)ccc3ccccc32)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000008951410 553193566 /nfs/dbraw/zinc/19/35/66/553193566.db2.gz IGMUVMWWKMYOIT-ORBAKXMTSA-N -1 1 501.033 5.894 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000008996496 553197143 /nfs/dbraw/zinc/19/71/43/553197143.db2.gz KTFDEUHAUAKHAJ-QHCPKHFHSA-N -1 1 504.539 5.495 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000008996496 553197145 /nfs/dbraw/zinc/19/71/45/553197145.db2.gz KTFDEUHAUAKHAJ-QHCPKHFHSA-N -1 1 504.539 5.495 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009007741 553198357 /nfs/dbraw/zinc/19/83/57/553198357.db2.gz LTGKZKZRAVRCDE-QHCPKHFHSA-N -1 1 520.563 5.397 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009008713 553199205 /nfs/dbraw/zinc/19/92/05/553199205.db2.gz CFIKBMQEVMCVOD-JOCHJYFZSA-N -1 1 502.548 5.105 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009042298 553202687 /nfs/dbraw/zinc/20/26/87/553202687.db2.gz TZDHCVAYGOJTMK-FQEVSTJZSA-N -1 1 509.356 5.981 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009046275 553203794 /nfs/dbraw/zinc/20/37/94/553203794.db2.gz FJWHJFQSLUIBSO-VWLOTQADSA-N -1 1 516.594 6.740 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000009124462 553212824 /nfs/dbraw/zinc/21/28/24/553212824.db2.gz CQGJLYZALSCQQT-IVCQMTBJSA-N -1 1 512.587 5.725 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009178744 553216597 /nfs/dbraw/zinc/21/65/97/553216597.db2.gz FBJVZPXALWIJFT-RUZDIDTESA-N -1 1 514.603 6.185 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000009185674 553217452 /nfs/dbraw/zinc/21/74/52/553217452.db2.gz DDFLZMDHMYDWMN-QFIPXVFZSA-N -1 1 518.591 5.203 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000009186503 553217649 /nfs/dbraw/zinc/21/76/49/553217649.db2.gz DCMXOJHVOCGNTO-IBGZPJMESA-N -1 1 501.416 6.756 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009186569 553217680 /nfs/dbraw/zinc/21/76/80/553217680.db2.gz ZCTZBSPRSYLQRG-XMMPIXPASA-N -1 1 500.551 6.092 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009186762 553217843 /nfs/dbraw/zinc/21/78/43/553217843.db2.gz NJSZSVZTLMEWNY-VWLOTQADSA-N -1 1 512.587 5.961 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000009190946 553218398 /nfs/dbraw/zinc/21/83/98/553218398.db2.gz QTRDVIOQXRWDIZ-XMMPIXPASA-N -1 1 514.559 5.167 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000009190947 553218437 /nfs/dbraw/zinc/21/84/37/553218437.db2.gz QTRDVIOQXRWDIZ-DEOSSOPVSA-N -1 1 514.559 5.167 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccnc1)c1ccc(F)cc1 ZINC000009210740 553220877 /nfs/dbraw/zinc/22/08/77/553220877.db2.gz PFBFYOSZGYUSEO-HXUWFJFHSA-N -1 1 504.568 5.147 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009234364 553224977 /nfs/dbraw/zinc/22/49/77/553224977.db2.gz LXSIVJTXJCVAKC-XMMPIXPASA-N -1 1 512.587 5.791 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009235611 553225398 /nfs/dbraw/zinc/22/53/98/553225398.db2.gz NXTFVVMIBYMOJC-JOCHJYFZSA-N -1 1 501.520 5.386 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000009236348 553225660 /nfs/dbraw/zinc/22/56/60/553225660.db2.gz UNCBWENEEHWTPI-QHCPKHFHSA-N -1 1 504.539 5.626 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009240796 553226095 /nfs/dbraw/zinc/22/60/95/553226095.db2.gz QPPRYJRCVXHTNP-HSZRJFAPSA-N -1 1 520.994 6.058 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009240796 553226098 /nfs/dbraw/zinc/22/60/98/553226098.db2.gz QPPRYJRCVXHTNP-HSZRJFAPSA-N -1 1 520.994 6.058 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009241647 553226270 /nfs/dbraw/zinc/22/62/70/553226270.db2.gz BRWYLTNWHFLIOX-QHCPKHFHSA-N -1 1 520.994 6.058 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009241647 553226273 /nfs/dbraw/zinc/22/62/73/553226273.db2.gz BRWYLTNWHFLIOX-QHCPKHFHSA-N -1 1 520.994 6.058 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000009272796 553231968 /nfs/dbraw/zinc/23/19/68/553231968.db2.gz SSYHZGGVVDVVAS-FQEVSTJZSA-N -1 1 513.384 5.305 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000009273696 553232189 /nfs/dbraw/zinc/23/21/89/553232189.db2.gz VVJGRNLRKDNXGU-HXUWFJFHSA-N -1 1 509.381 6.052 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000009275077 553232614 /nfs/dbraw/zinc/23/26/14/553232614.db2.gz XWZSWQSVKYGXDN-DEOSSOPVSA-N -1 1 500.576 5.795 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000009280227 553233123 /nfs/dbraw/zinc/23/31/23/553233123.db2.gz JOWFCEZEDLFOLF-RUZDIDTESA-N -1 1 517.050 7.473 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000009329485 553242414 /nfs/dbraw/zinc/24/24/14/553242414.db2.gz HNNJYIFHCVQULG-OVWNDWIMSA-N -1 1 502.379 5.260 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccncc2)o1 ZINC000009349676 553244964 /nfs/dbraw/zinc/24/49/64/553244964.db2.gz JNBCFGIUVWLQOZ-LJQANCHMSA-N -1 1 508.556 5.049 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000009350878 553245288 /nfs/dbraw/zinc/24/52/88/553245288.db2.gz PHPWPJKDXWPOQQ-OYLFLEFRSA-N -1 1 517.006 6.364 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccncc2)o1 ZINC000009356996 553246732 /nfs/dbraw/zinc/24/67/32/553246732.db2.gz DGNFYOKPGWRCKU-LJQANCHMSA-N -1 1 508.556 5.049 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009357537 553246918 /nfs/dbraw/zinc/24/69/18/553246918.db2.gz DBTLCABPVWVVCQ-BSEYFRJRSA-N -1 1 516.550 5.550 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009358003 553247212 /nfs/dbraw/zinc/24/72/12/553247212.db2.gz ZLMADZVKLURLTD-IZHWHUGBSA-N -1 1 500.551 5.850 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000009357881 553247224 /nfs/dbraw/zinc/24/72/24/553247224.db2.gz KWLIMVNNCLKXJE-RUZDIDTESA-N -1 1 514.603 6.049 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(O)cc3)s2)cc1 ZINC000009360032 553248270 /nfs/dbraw/zinc/24/82/70/553248270.db2.gz UPTGRPJUWYYGSR-FQEVSTJZSA-N -1 1 505.577 5.220 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000009360824 553248630 /nfs/dbraw/zinc/24/86/30/553248630.db2.gz MFJVWRHSOJOOPA-JCQPUDPBSA-N -1 1 518.978 5.762 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000009360824 553248631 /nfs/dbraw/zinc/24/86/31/553248631.db2.gz MFJVWRHSOJOOPA-JCQPUDPBSA-N -1 1 518.978 5.762 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccc(O)cc1)c1ccccc1 ZINC000009373704 553250449 /nfs/dbraw/zinc/25/04/49/553250449.db2.gz BJXZYXRYEDKUGE-NRFANRHFSA-N -1 1 501.589 5.319 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009380582 553251959 /nfs/dbraw/zinc/25/19/59/553251959.db2.gz JVALQYIPCJGNNO-NRFANRHFSA-N -1 1 505.393 6.150 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000009446226 553265586 /nfs/dbraw/zinc/26/55/86/553265586.db2.gz LEJSYYCGIBGAPM-MHZLTWQESA-N -1 1 524.642 6.937 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009451664 553265988 /nfs/dbraw/zinc/26/59/88/553265988.db2.gz YAEWTGQQPAONDQ-HSZRJFAPSA-N -1 1 508.368 5.639 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)sc2c1 ZINC000009454680 553266356 /nfs/dbraw/zinc/26/63/56/553266356.db2.gz CCUUTWBIFKLKEW-HSZRJFAPSA-N -1 1 502.523 5.298 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)sc2c1 ZINC000009454680 553266359 /nfs/dbraw/zinc/26/63/59/553266359.db2.gz CCUUTWBIFKLKEW-HSZRJFAPSA-N -1 1 502.523 5.298 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(O)c(OC)c2)c1 ZINC000009461044 553267201 /nfs/dbraw/zinc/26/72/01/553267201.db2.gz CQPGIXVSHSLFBK-QHCPKHFHSA-N -1 1 502.548 5.110 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009461568 553267787 /nfs/dbraw/zinc/26/77/87/553267787.db2.gz UKXRURBTHFSNKB-QHCPKHFHSA-N -1 1 504.564 5.560 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009461568 553267788 /nfs/dbraw/zinc/26/77/88/553267788.db2.gz UKXRURBTHFSNKB-QHCPKHFHSA-N -1 1 504.564 5.560 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009462936 553268699 /nfs/dbraw/zinc/26/86/99/553268699.db2.gz YCTRVXBLLCLDIS-RUZDIDTESA-N -1 1 514.603 6.103 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000009463032 553268730 /nfs/dbraw/zinc/26/87/30/553268730.db2.gz XEWAUSPGZQZHRP-DEOSSOPVSA-N -1 1 516.575 5.413 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000009463307 553268878 /nfs/dbraw/zinc/26/88/78/553268878.db2.gz UFQSCUHBUJPFST-SANMLTNESA-N -1 1 525.630 6.079 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009507601 553275937 /nfs/dbraw/zinc/27/59/37/553275937.db2.gz LGTYRLXELYRZFH-AREMUKBSSA-N -1 1 510.615 6.376 50 30 KKEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000009608782 553287737 /nfs/dbraw/zinc/28/77/37/553287737.db2.gz OURFVIPGLFXGRB-JOCHJYFZSA-N -1 1 517.651 5.588 50 30 KKEAMM COc1ccc(OC)c([C@H]2c3c(=O)[n-]c(SCc4ccccc4C)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009608814 553287799 /nfs/dbraw/zinc/28/77/99/553287799.db2.gz FOVFLYDBIVMVLO-HSZRJFAPSA-N -1 1 517.651 5.588 50 30 KKEAMM CN(C)c1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009781054 553307782 /nfs/dbraw/zinc/30/77/82/553307782.db2.gz XCDOGDYAMCJJDD-QFIPXVFZSA-N -1 1 504.631 5.880 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000012311287 553357166 /nfs/dbraw/zinc/35/71/66/553357166.db2.gz LSCJEUMKYIPMHH-OAQYLSRUSA-N -1 1 522.554 5.033 50 30 KKEAMM O=c1[n-]c(=O)n(-c2ccc(F)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(CCC1CCCCC1)N2 ZINC000012374781 553360959 /nfs/dbraw/zinc/36/09/59/553360959.db2.gz UBVNUTACGAVBCV-UHFFFAOYSA-N -1 1 506.422 5.169 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013550608 553470137 /nfs/dbraw/zinc/47/01/37/553470137.db2.gz LOTCVAQTTUVMAP-QHCPKHFHSA-N -1 1 504.633 6.492 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000013550645 553470148 /nfs/dbraw/zinc/47/01/48/553470148.db2.gz IGQDBMVSZGYJAR-JOCHJYFZSA-N -1 1 509.414 6.948 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000013570959 553473855 /nfs/dbraw/zinc/47/38/55/553473855.db2.gz MSTMRYHENJCBKP-HSZRJFAPSA-N -1 1 515.547 5.558 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000013570959 553473856 /nfs/dbraw/zinc/47/38/56/553473856.db2.gz MSTMRYHENJCBKP-HSZRJFAPSA-N -1 1 515.547 5.558 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000016730277 553576448 /nfs/dbraw/zinc/57/64/48/553576448.db2.gz QFLPQSWKAXIIMG-NRFANRHFSA-N -1 1 524.570 5.257 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732220 553577499 /nfs/dbraw/zinc/57/74/99/553577499.db2.gz SEJLAUIWMIULMA-QHCPKHFHSA-N -1 1 520.607 5.625 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732220 553577501 /nfs/dbraw/zinc/57/75/01/553577501.db2.gz SEJLAUIWMIULMA-QHCPKHFHSA-N -1 1 520.607 5.625 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016732174 553577532 /nfs/dbraw/zinc/57/75/32/553577532.db2.gz GKYKXRIQYCHILN-IBGZPJMESA-N -1 1 517.390 5.752 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccncc2)cc1 ZINC000016742003 553580016 /nfs/dbraw/zinc/58/00/16/553580016.db2.gz BSNGTCPDMQCYTL-OAQYLSRUSA-N -1 1 516.604 5.017 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccnc2)cc1 ZINC000016742031 553580120 /nfs/dbraw/zinc/58/01/20/553580120.db2.gz OZTKTTMOKXUMOE-NRFANRHFSA-N -1 1 516.604 5.017 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000016742283 553580145 /nfs/dbraw/zinc/58/01/45/553580145.db2.gz XXXJXWKBAOZVSS-LJQANCHMSA-N -1 1 508.939 5.421 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000016742629 553580637 /nfs/dbraw/zinc/58/06/37/553580637.db2.gz SREWBZMDRLECBN-LJQANCHMSA-N -1 1 509.609 5.814 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(F)c2)nc1C ZINC000016805467 553582813 /nfs/dbraw/zinc/58/28/13/553582813.db2.gz YHERJSRYHOWWCJ-HXUWFJFHSA-N -1 1 510.518 5.164 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000016805429 553582883 /nfs/dbraw/zinc/58/28/83/553582883.db2.gz AZYAVCLMOAJJQI-SFHVURJKSA-N -1 1 500.935 5.122 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000016944389 553584315 /nfs/dbraw/zinc/58/43/15/553584315.db2.gz OZTRAEDZTGSMAI-MRXNPFEDSA-N -1 1 510.196 5.995 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccnc2)o1 ZINC000017208673 553590667 /nfs/dbraw/zinc/59/06/67/553590667.db2.gz JOMQWWATBPFASO-LJQANCHMSA-N -1 1 508.556 5.049 50 30 KKEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000017242321 553590900 /nfs/dbraw/zinc/59/09/00/553590900.db2.gz YLVVPIASAKMSIF-OAQYLSRUSA-N -1 1 518.595 5.592 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000017242359 553590941 /nfs/dbraw/zinc/59/09/41/553590941.db2.gz ADUKHUWESFQKCV-QFIPXVFZSA-N -1 1 503.624 5.280 50 30 KKEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000017720075 553599324 /nfs/dbraw/zinc/59/93/24/553599324.db2.gz QJWJZTNUTYDFGW-XBBWARJSSA-N -1 1 529.524 5.499 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(Cl)c3)[n-]c(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000020181749 553604673 /nfs/dbraw/zinc/60/46/73/553604673.db2.gz YGRBMCQCQZCOMS-HXUWFJFHSA-N -1 1 523.014 6.237 50 30 KKEAMM C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)cc5)coc-4c32)cc1OC ZINC000085875006 553688387 /nfs/dbraw/zinc/68/83/87/553688387.db2.gz GGDUBAWAUCRSTC-HXUWFJFHSA-N -1 1 514.530 5.579 50 30 biogenic KKEAMM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)cc5)coc-4c32)cc1OC ZINC000085874999 553688560 /nfs/dbraw/zinc/68/85/60/553688560.db2.gz GGDUBAWAUCRSTC-FQEVSTJZSA-N -1 1 514.530 5.579 50 30 biogenic KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000096022103 553719709 /nfs/dbraw/zinc/71/97/09/553719709.db2.gz WZPRDWMTJSFJHO-DEOSSOPVSA-N -1 1 560.672 6.192 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097939531 553759670 /nfs/dbraw/zinc/75/96/70/553759670.db2.gz MQXFPEDVANDGRO-SANMLTNESA-N -1 1 543.645 6.279 50 30 KKEAMM CCCCCCCCN1C(=O)N(c2ccc(Cl)cc2)[C@H](N([O-])C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000097949749 553802793 /nfs/dbraw/zinc/80/27/93/553802793.db2.gz CPJNFQWAFRMDGM-HSZRJFAPSA-N -1 1 521.489 7.624 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000097951495 553809387 /nfs/dbraw/zinc/80/93/87/553809387.db2.gz HDNDIWJYHUFFHP-JOCHJYFZSA-N -1 1 528.439 5.414 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(CC)cc2)nc1C ZINC000097951724 553810798 /nfs/dbraw/zinc/81/07/98/553810798.db2.gz CJZDWFFOUQSMJL-HSZRJFAPSA-N -1 1 532.618 5.457 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097951779 553811528 /nfs/dbraw/zinc/81/15/28/553811528.db2.gz FKBIRFWHBOCPGF-JOCHJYFZSA-N -1 1 537.410 6.598 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097952165 553813438 /nfs/dbraw/zinc/81/34/38/553813438.db2.gz NVBQADXMKIQLND-AREMUKBSSA-N -1 1 528.630 6.493 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097952241 553814251 /nfs/dbraw/zinc/81/42/51/553814251.db2.gz JWQGZERCBZIDNK-DEOSSOPVSA-N -1 1 529.574 5.949 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097952241 553814252 /nfs/dbraw/zinc/81/42/52/553814252.db2.gz JWQGZERCBZIDNK-DEOSSOPVSA-N -1 1 529.574 5.949 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000097952285 553814369 /nfs/dbraw/zinc/81/43/69/553814369.db2.gz BLKJVNYTSRDRDJ-AREMUKBSSA-N -1 1 544.629 6.058 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097952397 553815439 /nfs/dbraw/zinc/81/54/39/553815439.db2.gz AFXVXVMHQBCYEG-HSZRJFAPSA-N -1 1 533.447 6.713 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000097952449 553816060 /nfs/dbraw/zinc/81/60/60/553816060.db2.gz LVLSOAWKMCFLMV-DEOSSOPVSA-N -1 1 542.573 5.425 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097952981 553818415 /nfs/dbraw/zinc/81/84/15/553818415.db2.gz LWUCLIHCDPXJLS-HSZRJFAPSA-N -1 1 529.530 5.067 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)sc2c1 ZINC000097954008 553820586 /nfs/dbraw/zinc/82/05/86/553820586.db2.gz SFEXJRAVXNOJHU-DEOSSOPVSA-N -1 1 532.549 5.388 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955023 553827468 /nfs/dbraw/zinc/82/74/68/553827468.db2.gz HXKXCGDYAOBFQG-DXPJPUQTSA-N -1 1 545.060 7.179 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097955046 553828053 /nfs/dbraw/zinc/82/80/53/553828053.db2.gz IEGORPQARUCHAZ-PMERELPUSA-N -1 1 668.724 6.326 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955124 553828681 /nfs/dbraw/zinc/82/86/81/553828681.db2.gz XGMGPSDZBMMGRY-DXPJPUQTSA-N -1 1 542.613 5.734 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955122 553828860 /nfs/dbraw/zinc/82/88/60/553828860.db2.gz XGMGPSDZBMMGRY-QMTYFTJSSA-N -1 1 542.613 5.734 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097955149 553829054 /nfs/dbraw/zinc/82/90/54/553829054.db2.gz CQFYQYZEIRGOQV-SGANQWHYSA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097955149 553829056 /nfs/dbraw/zinc/82/90/56/553829056.db2.gz CQFYQYZEIRGOQV-SGANQWHYSA-N -1 1 530.577 5.940 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000097955143 553829100 /nfs/dbraw/zinc/82/91/00/553829100.db2.gz QUUDKXHWTWMLFU-LRTDBIEQSA-N -1 1 539.009 5.388 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097955136 553829153 /nfs/dbraw/zinc/82/91/53/553829153.db2.gz MVMDIRUTSOXQNM-LBEKAKSKSA-N -1 1 602.684 6.975 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097955136 553829155 /nfs/dbraw/zinc/82/91/55/553829155.db2.gz MVMDIRUTSOXQNM-LBEKAKSKSA-N -1 1 602.684 6.975 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000097955181 553829452 /nfs/dbraw/zinc/82/94/52/553829452.db2.gz RKSIPBQZWQNQKA-SGANQWHYSA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000097955181 553829453 /nfs/dbraw/zinc/82/94/53/553829453.db2.gz RKSIPBQZWQNQKA-SGANQWHYSA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000097955217 553829848 /nfs/dbraw/zinc/82/98/48/553829848.db2.gz VHGSHLRJPVXKPD-QLXKLKPCSA-N -1 1 526.614 6.110 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955271 553830629 /nfs/dbraw/zinc/83/06/29/553830629.db2.gz XFSIUCDLKCCTKI-HPGBDJQBSA-N -1 1 586.641 6.505 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955271 553830634 /nfs/dbraw/zinc/83/06/34/553830634.db2.gz XFSIUCDLKCCTKI-HPGBDJQBSA-N -1 1 586.641 6.505 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955272 553830737 /nfs/dbraw/zinc/83/07/37/553830737.db2.gz XFSIUCDLKCCTKI-JYRCXFKTSA-N -1 1 586.641 6.505 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955272 553830739 /nfs/dbraw/zinc/83/07/39/553830739.db2.gz XFSIUCDLKCCTKI-JYRCXFKTSA-N -1 1 586.641 6.505 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097955596 553831467 /nfs/dbraw/zinc/83/14/67/553831467.db2.gz YHQCXNUCMDSAAQ-IZHWHUGBSA-N -1 1 527.558 5.619 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000097955587 553831663 /nfs/dbraw/zinc/83/16/63/553831663.db2.gz OBWWPUGFELGZCX-AKJBCIBTSA-N -1 1 542.613 5.810 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000097955627 553832092 /nfs/dbraw/zinc/83/20/92/553832092.db2.gz ZQNINOHOGRILDT-MQNRADLISA-N -1 1 528.586 5.420 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000097955654 553832484 /nfs/dbraw/zinc/83/24/84/553832484.db2.gz NHZNUWPSSODBAE-PUAOIOHZSA-N -1 1 541.585 5.928 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000097955639 553832590 /nfs/dbraw/zinc/83/25/90/553832590.db2.gz MFISSRQSOXHHDR-ZLOXQWCVSA-N -1 1 520.969 6.195 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097955676 553832723 /nfs/dbraw/zinc/83/27/23/553832723.db2.gz JJLFDHGUIZXSBS-YHAMSUFESA-N -1 1 542.613 5.728 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097955684 553832845 /nfs/dbraw/zinc/83/28/45/553832845.db2.gz YTJKMZDZFJTGFP-MHZLTWQESA-N -1 1 607.084 6.691 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097955704 553833152 /nfs/dbraw/zinc/83/31/52/553833152.db2.gz WZSHRQCCPXZPGE-PMERELPUSA-N -1 1 614.720 7.127 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955710 553833158 /nfs/dbraw/zinc/83/31/58/553833158.db2.gz VZHSGBIUCMPMSO-QMTYFTJSSA-N -1 1 542.613 5.815 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097955726 553833250 /nfs/dbraw/zinc/83/32/50/553833250.db2.gz PNNHZIQHDRPYHG-NPMABZOXSA-N -1 1 520.969 6.195 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955770 553833792 /nfs/dbraw/zinc/83/37/92/553833792.db2.gz DBORTZYUYVMKJJ-AKJBCIBTSA-N -1 1 526.614 5.974 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955783 553833802 /nfs/dbraw/zinc/83/38/02/553833802.db2.gz ZJDIFWPCSAKQJT-XGCWNURASA-N -1 1 556.640 6.124 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955817 553834122 /nfs/dbraw/zinc/83/41/22/553834122.db2.gz ZWIGRVOWZKLLLY-LFPIHBKWSA-N -1 1 533.005 6.065 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955817 553834124 /nfs/dbraw/zinc/83/41/24/553834124.db2.gz ZWIGRVOWZKLLLY-LFPIHBKWSA-N -1 1 533.005 6.065 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000097955855 553834722 /nfs/dbraw/zinc/83/47/22/553834722.db2.gz CBIAAUPCZYTOJI-HHHXNRCGSA-N -1 1 539.657 6.640 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097956210 553836599 /nfs/dbraw/zinc/83/65/99/553836599.db2.gz XRHXACZBACVSFO-DWXRJYCRSA-N -1 1 524.598 5.828 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097956210 553836602 /nfs/dbraw/zinc/83/66/02/553836602.db2.gz XRHXACZBACVSFO-DWXRJYCRSA-N -1 1 524.598 5.828 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097956228 553836999 /nfs/dbraw/zinc/83/69/99/553836999.db2.gz LQCARSUPQNCQIE-ZLOXQWCVSA-N -1 1 531.521 5.450 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000097956248 553837064 /nfs/dbraw/zinc/83/70/64/553837064.db2.gz NMAPYGWAJXLQLW-MHZLTWQESA-N -1 1 538.625 6.378 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000097956248 553837068 /nfs/dbraw/zinc/83/70/68/553837068.db2.gz NMAPYGWAJXLQLW-MHZLTWQESA-N -1 1 538.625 6.378 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000097956803 553841735 /nfs/dbraw/zinc/84/17/35/553841735.db2.gz SVFFIBAJYFKRML-HXUWFJFHSA-N -1 1 526.998 5.382 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccccc2OCC)nc1C ZINC000097956814 553842314 /nfs/dbraw/zinc/84/23/14/553842314.db2.gz VOQYZQFQOHQSSU-QFIPXVFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OCC)nc1C ZINC000097956814 553842315 /nfs/dbraw/zinc/84/23/15/553842315.db2.gz VOQYZQFQOHQSSU-QFIPXVFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097956854 553842588 /nfs/dbraw/zinc/84/25/88/553842588.db2.gz JZRDQESCVFJUJN-HSZRJFAPSA-N -1 1 566.632 5.135 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000097967069 553913517 /nfs/dbraw/zinc/91/35/17/553913517.db2.gz LLKGDUXEAYJESP-NDEPHWFRSA-N -1 1 596.705 6.861 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097967175 553914736 /nfs/dbraw/zinc/91/47/36/553914736.db2.gz MRGHJOHWWRPMKP-XIFFEERXSA-N -1 1 672.759 8.257 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097967259 553915751 /nfs/dbraw/zinc/91/57/51/553915751.db2.gz DLBLCRDWBDTUGJ-PUAOIOHZSA-N -1 1 575.484 6.782 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097967294 553916214 /nfs/dbraw/zinc/91/62/14/553916214.db2.gz ARSPPJOWCMRPOE-CLYVBNDRSA-N -1 1 596.661 5.923 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097967294 553916218 /nfs/dbraw/zinc/91/62/18/553916218.db2.gz ARSPPJOWCMRPOE-CLYVBNDRSA-N -1 1 596.661 5.923 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967278 553916248 /nfs/dbraw/zinc/91/62/48/553916248.db2.gz DZQMKVZQHDQYQY-CPJLOUKISA-N -1 1 589.670 6.084 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967322 553916668 /nfs/dbraw/zinc/91/66/68/553916668.db2.gz OKHBFMJEIYKJCC-AREMUKBSSA-N -1 1 558.612 5.648 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967322 553916669 /nfs/dbraw/zinc/91/66/69/553916669.db2.gz OKHBFMJEIYKJCC-AREMUKBSSA-N -1 1 558.612 5.648 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000097967309 553916717 /nfs/dbraw/zinc/91/67/17/553916717.db2.gz DZENTNQWFCVRFB-JIYROHSKSA-N -1 1 661.805 7.824 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967305 553916755 /nfs/dbraw/zinc/91/67/55/553916755.db2.gz YTDJRYOERMVAFZ-SGANQWHYSA-N -1 1 556.596 5.198 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967305 553916758 /nfs/dbraw/zinc/91/67/58/553916758.db2.gz YTDJRYOERMVAFZ-SGANQWHYSA-N -1 1 556.596 5.198 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967338 553917173 /nfs/dbraw/zinc/91/71/73/553917173.db2.gz QVKCLDMCJOJDRQ-NBLPZQPVSA-N -1 1 726.276 8.568 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097967368 553917751 /nfs/dbraw/zinc/91/77/51/553917751.db2.gz QFHNBBZYPQCLJL-VWLOTQADSA-N -1 1 576.627 5.431 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967374 553917782 /nfs/dbraw/zinc/91/77/82/553917782.db2.gz GTHXRJOCSSNRFL-UKPGIYTDSA-N -1 1 665.768 7.655 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000097967458 553918839 /nfs/dbraw/zinc/91/88/39/553918839.db2.gz JRKIGLPJKGMXEQ-KCEHZKJRSA-N -1 1 602.712 7.598 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967493 553919303 /nfs/dbraw/zinc/91/93/03/553919303.db2.gz OZCLRDYLTMVFHI-KWMCUTETSA-N -1 1 589.113 7.625 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967493 553919306 /nfs/dbraw/zinc/91/93/06/553919306.db2.gz OZCLRDYLTMVFHI-KWMCUTETSA-N -1 1 589.113 7.625 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967536 553919837 /nfs/dbraw/zinc/91/98/37/553919837.db2.gz CTGKVTOMPLIJOC-CRYYWNKWSA-N -1 1 590.698 6.338 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967536 553919840 /nfs/dbraw/zinc/91/98/40/553919840.db2.gz CTGKVTOMPLIJOC-CRYYWNKWSA-N -1 1 590.698 6.338 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000097967523 553919852 /nfs/dbraw/zinc/91/98/52/553919852.db2.gz UPIFVRZCAYIMPN-COOREUGTSA-N -1 1 721.901 8.914 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967559 553920206 /nfs/dbraw/zinc/92/02/06/553920206.db2.gz JAPJTOWDOVEXMI-MUUNZHRXSA-N -1 1 570.667 6.646 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097967573 553920218 /nfs/dbraw/zinc/92/02/18/553920218.db2.gz KYMXAYAMQGUYGC-NDEPHWFRSA-N -1 1 648.734 6.172 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967674 553921409 /nfs/dbraw/zinc/92/14/09/553921409.db2.gz DYPMEWPQOCKMHI-PKHCJMHPSA-N -1 1 604.684 7.594 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097967693 553921953 /nfs/dbraw/zinc/92/19/53/553921953.db2.gz VYSLINBLAANUHM-RQZFFVEVSA-N -1 1 622.674 7.129 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097967693 553921956 /nfs/dbraw/zinc/92/19/56/553921956.db2.gz VYSLINBLAANUHM-RQZFFVEVSA-N -1 1 622.674 7.129 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967734 553922209 /nfs/dbraw/zinc/92/22/09/553922209.db2.gz DSYRIIJYHPDRLC-VTLMBFNKSA-N -1 1 760.721 9.221 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967720 553922221 /nfs/dbraw/zinc/92/22/21/553922221.db2.gz AKPYIBNLIPDZIL-PRAQEBQASA-N -1 1 598.721 7.289 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967750 553922624 /nfs/dbraw/zinc/92/26/24/553922624.db2.gz HNNMPCKKTLHDPD-KWMCUTETSA-N -1 1 568.651 6.366 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967748 553922774 /nfs/dbraw/zinc/92/27/74/553922774.db2.gz HNNMPCKKTLHDPD-XDBZFTIUSA-N -1 1 568.651 6.366 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967784 553923028 /nfs/dbraw/zinc/92/30/28/553923028.db2.gz JEASGVFSLTVXFZ-BSEYFRJRSA-N -1 1 577.456 6.174 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097967775 553923111 /nfs/dbraw/zinc/92/31/11/553923111.db2.gz NZMCRCARPYGUJH-XIFFEERXSA-N -1 1 648.737 7.445 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097967794 553923204 /nfs/dbraw/zinc/92/32/04/553923204.db2.gz JVOMOFAFLLPYSH-UVDDSOTQSA-N -1 1 671.841 7.904 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097967774 553923209 /nfs/dbraw/zinc/92/32/09/553923209.db2.gz NZMCRCARPYGUJH-MGBGTMOVSA-N -1 1 648.737 7.445 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097967808 553923561 /nfs/dbraw/zinc/92/35/61/553923561.db2.gz XMVWXBCFYBTIFF-PRAQEBQASA-N -1 1 675.804 7.653 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967879 553924430 /nfs/dbraw/zinc/92/44/30/553924430.db2.gz HOFFWJVFEFIQKB-YTTGMZPUSA-N -1 1 695.819 7.725 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967867 553924542 /nfs/dbraw/zinc/92/45/42/553924542.db2.gz SNNNYJBWVRNLER-NDEPHWFRSA-N -1 1 584.650 6.122 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097967886 553924646 /nfs/dbraw/zinc/92/46/46/553924646.db2.gz BDZGZRFQZVAHME-OYLFLEFRSA-N -1 1 594.089 6.729 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967916 553924888 /nfs/dbraw/zinc/92/48/88/553924888.db2.gz STXNBRHCVVNRGX-VWLOTQADSA-N -1 1 576.627 5.172 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967913 553924947 /nfs/dbraw/zinc/92/49/47/553924947.db2.gz MJACMWCNKSALDP-AREMUKBSSA-N -1 1 654.597 7.815 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097967909 553924951 /nfs/dbraw/zinc/92/49/51/553924951.db2.gz WCSDKMVKTIVPAP-PVPMGCCUSA-N -1 1 558.612 5.516 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097967909 553924952 /nfs/dbraw/zinc/92/49/52/553924952.db2.gz WCSDKMVKTIVPAP-PVPMGCCUSA-N -1 1 558.612 5.516 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967915 553924978 /nfs/dbraw/zinc/92/49/78/553924978.db2.gz STXNBRHCVVNRGX-RUZDIDTESA-N -1 1 576.627 5.172 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097967936 553925307 /nfs/dbraw/zinc/92/53/07/553925307.db2.gz AFOXEIVBKBJSFA-PUAOIOHZSA-N -1 1 589.670 6.084 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097967934 553925377 /nfs/dbraw/zinc/92/53/77/553925377.db2.gz AFOXEIVBKBJSFA-CPJLOUKISA-N -1 1 589.670 6.084 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097967981 553925725 /nfs/dbraw/zinc/92/57/25/553925725.db2.gz BPKNZSOEMHGBBX-XGCWNURASA-N -1 1 558.631 6.721 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097967981 553925729 /nfs/dbraw/zinc/92/57/29/553925729.db2.gz BPKNZSOEMHGBBX-XGCWNURASA-N -1 1 558.631 6.721 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097967966 553925746 /nfs/dbraw/zinc/92/57/46/553925746.db2.gz WODLKXMAWUSWBT-QHCPKHFHSA-N -1 1 596.061 6.177 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967973 553925760 /nfs/dbraw/zinc/92/57/60/553925760.db2.gz HNZOOVNIBPEEAI-SOKVYYICSA-N -1 1 652.625 8.367 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967973 553925763 /nfs/dbraw/zinc/92/57/63/553925763.db2.gz HNZOOVNIBPEEAI-SOKVYYICSA-N -1 1 652.625 8.367 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967991 553926251 /nfs/dbraw/zinc/92/62/51/553926251.db2.gz YFIHGCMNHFEBSH-MHZLTWQESA-N -1 1 585.638 5.378 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968033 553926559 /nfs/dbraw/zinc/92/65/59/553926559.db2.gz UHPYSDSZCSBSAF-HHHXNRCGSA-N -1 1 666.177 6.835 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968023 553926658 /nfs/dbraw/zinc/92/66/58/553926658.db2.gz JZMCWDYZGCHOLG-MUUNZHRXSA-N -1 1 645.759 6.572 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097968112 553927932 /nfs/dbraw/zinc/92/79/32/553927932.db2.gz ZDDHKJGHTFTGIT-VWLOTQADSA-N -1 1 587.679 5.702 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968106 553927987 /nfs/dbraw/zinc/92/79/87/553927987.db2.gz AULUGEMZVSFNTB-OWJWWREXSA-N -1 1 594.089 6.729 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968108 553928027 /nfs/dbraw/zinc/92/80/27/553928027.db2.gz AULUGEMZVSFNTB-IZHWHUGBSA-N -1 1 594.089 6.729 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097968173 553928621 /nfs/dbraw/zinc/92/86/21/553928621.db2.gz ROFNPUQUWZLHPA-PMERELPUSA-N -1 1 684.195 7.617 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000097968191 553928750 /nfs/dbraw/zinc/92/87/50/553928750.db2.gz GBXTXCSLZRAKCL-YTTGMZPUSA-N -1 1 711.793 7.501 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968194 553929212 /nfs/dbraw/zinc/92/92/12/553929212.db2.gz VRPMESVZMZDYCU-MUUNZHRXSA-N -1 1 698.650 8.116 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968243 553929564 /nfs/dbraw/zinc/92/95/64/553929564.db2.gz SMPVWOZICPOMDL-SANMLTNESA-N -1 1 617.680 6.088 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097968323 553930328 /nfs/dbraw/zinc/93/03/28/553930328.db2.gz STUACRWXCGLULW-WHLCRQNOSA-N -1 1 634.751 6.702 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968360 553931389 /nfs/dbraw/zinc/93/13/89/553931389.db2.gz ADZCMIUICHMHCQ-NDEPHWFRSA-N -1 1 629.760 6.872 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097968356 553931444 /nfs/dbraw/zinc/93/14/44/553931444.db2.gz CXBQUBBSCRVODO-SANMLTNESA-N -1 1 620.152 7.161 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097968394 553931982 /nfs/dbraw/zinc/93/19/82/553931982.db2.gz ZFDHVNXXVPOGMI-XDBZFTIUSA-N -1 1 609.704 7.229 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968436 553932356 /nfs/dbraw/zinc/93/23/56/553932356.db2.gz CHDCRFVMAUAFHG-MUUNZHRXSA-N -1 1 663.749 6.711 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097969127 553937019 /nfs/dbraw/zinc/93/70/19/553937019.db2.gz BHNNELALQGQAAI-YHAMSUFESA-N -1 1 559.087 7.354 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000097969168 553937453 /nfs/dbraw/zinc/93/74/53/553937453.db2.gz LVGMFGYIHJAUCX-NSYGIPOTSA-N -1 1 574.655 5.689 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000097969168 553937455 /nfs/dbraw/zinc/93/74/55/553937455.db2.gz LVGMFGYIHJAUCX-NSYGIPOTSA-N -1 1 574.655 5.689 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097969174 553937529 /nfs/dbraw/zinc/93/75/29/553937529.db2.gz SKRMMPJOKWQXRQ-JCQPUDPBSA-N -1 1 581.875 6.819 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097969187 553937805 /nfs/dbraw/zinc/93/78/05/553937805.db2.gz SOYJOHFNSKEMJZ-CRYYWNKWSA-N -1 1 556.640 6.200 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000097969209 553937904 /nfs/dbraw/zinc/93/79/04/553937904.db2.gz BJFITNPNICJEEC-BSEYFRJRSA-N -1 1 607.482 6.188 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000097969209 553937909 /nfs/dbraw/zinc/93/79/09/553937909.db2.gz BJFITNPNICJEEC-BSEYFRJRSA-N -1 1 607.482 6.188 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969272 553938695 /nfs/dbraw/zinc/93/86/95/553938695.db2.gz QWXFTZGHMPHVBT-AFJIDDCJSA-N -1 1 662.233 8.159 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000097969269 553938857 /nfs/dbraw/zinc/93/88/57/553938857.db2.gz DHZHZEHZXHOIBO-MHZLTWQESA-N -1 1 598.652 6.604 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097969317 553939711 /nfs/dbraw/zinc/93/97/11/553939711.db2.gz YUAOKSKFRFCXMM-YRVHBCJASA-N -1 1 600.693 6.599 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097969340 553939768 /nfs/dbraw/zinc/93/97/68/553939768.db2.gz RVFBZUUSSBOFIF-ODCWNRFASA-N -1 1 591.483 6.564 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097969553 553942178 /nfs/dbraw/zinc/94/21/78/553942178.db2.gz WKSKMCOHIDHKRF-QHCPKHFHSA-N -1 1 566.632 5.135 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097969577 553942501 /nfs/dbraw/zinc/94/25/01/553942501.db2.gz VSJXUWWXBUDXBC-VOIUYBSRSA-N -1 1 559.644 6.076 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969571 553942542 /nfs/dbraw/zinc/94/25/42/553942542.db2.gz IBAIQAWMZWEAJZ-CGDLVVIGSA-N -1 1 697.838 8.669 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000097969594 553942647 /nfs/dbraw/zinc/94/26/47/553942647.db2.gz GOOTUXARKNMTAR-SSOJOUAXSA-N -1 1 572.639 5.465 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000097969594 553942648 /nfs/dbraw/zinc/94/26/48/553942648.db2.gz GOOTUXARKNMTAR-SSOJOUAXSA-N -1 1 572.639 5.465 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097969591 553942655 /nfs/dbraw/zinc/94/26/55/553942655.db2.gz XJYHAOMGDXJZLN-UKPGIYTDSA-N -1 1 612.748 7.453 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097969709 553943706 /nfs/dbraw/zinc/94/37/06/553943706.db2.gz ANPATNMQLKMQGC-XFSFLGPDSA-N -1 1 618.711 7.299 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969743 553944083 /nfs/dbraw/zinc/94/40/83/553944083.db2.gz IMAQYRVABKJIHF-ADSBAMQRSA-N -1 1 609.103 7.635 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969743 553944084 /nfs/dbraw/zinc/94/40/84/553944084.db2.gz IMAQYRVABKJIHF-ADSBAMQRSA-N -1 1 609.103 7.635 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000097969718 553944199 /nfs/dbraw/zinc/94/41/99/553944199.db2.gz NHBWAXIXIVDWAL-RUZDIDTESA-N -1 1 590.654 5.527 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097969749 553944713 /nfs/dbraw/zinc/94/47/13/553944713.db2.gz HWRMOMJNZOYLFC-WINIVTDRSA-N -1 1 583.735 7.060 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097969749 553944715 /nfs/dbraw/zinc/94/47/15/553944715.db2.gz HWRMOMJNZOYLFC-WINIVTDRSA-N -1 1 583.735 7.060 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969777 553944738 /nfs/dbraw/zinc/94/47/38/553944738.db2.gz DTZRQOHKMWMERM-QLXKLKPCSA-N -1 1 603.697 6.475 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969791 553944867 /nfs/dbraw/zinc/94/48/67/553944867.db2.gz FHRFIGQRYJQXFE-JWIGPWBQSA-N -1 1 602.665 5.827 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969791 553944870 /nfs/dbraw/zinc/94/48/70/553944870.db2.gz FHRFIGQRYJQXFE-JWIGPWBQSA-N -1 1 602.665 5.827 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969779 553944892 /nfs/dbraw/zinc/94/48/92/553944892.db2.gz DTZRQOHKMWMERM-QUGAMOGWSA-N -1 1 603.697 6.475 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000097969804 553944989 /nfs/dbraw/zinc/94/49/89/553944989.db2.gz UCCKLFPPYMMVCR-RUZDIDTESA-N -1 1 572.614 6.048 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969823 553945492 /nfs/dbraw/zinc/94/54/92/553945492.db2.gz OWHLHBIBEKTIQW-MRDQGFSESA-N -1 1 620.152 6.989 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097969867 553945819 /nfs/dbraw/zinc/94/58/19/553945819.db2.gz AAQJLPQMKWAFSB-QHCPKHFHSA-N -1 1 565.445 6.167 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097969875 553946318 /nfs/dbraw/zinc/94/63/18/553946318.db2.gz KXDXKEJYRGLENW-QLXKLKPCSA-N -1 1 606.697 5.922 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969871 553946368 /nfs/dbraw/zinc/94/63/68/553946368.db2.gz MNUSBSTZCQWDBJ-HHHXNRCGSA-N -1 1 570.623 5.814 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969871 553946373 /nfs/dbraw/zinc/94/63/73/553946373.db2.gz MNUSBSTZCQWDBJ-HHHXNRCGSA-N -1 1 570.623 5.814 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097969876 553946484 /nfs/dbraw/zinc/94/64/84/553946484.db2.gz KXDXKEJYRGLENW-WGDIFIGCSA-N -1 1 606.697 5.922 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969886 553946558 /nfs/dbraw/zinc/94/65/58/553946558.db2.gz XUSYBQWYCABQCX-PLTNMMHCSA-N -1 1 628.747 7.235 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969886 553946560 /nfs/dbraw/zinc/94/65/60/553946560.db2.gz XUSYBQWYCABQCX-PLTNMMHCSA-N -1 1 628.747 7.235 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969957 553947358 /nfs/dbraw/zinc/94/73/58/553947358.db2.gz MVASUSTXHAGVKS-AFJIDDCJSA-N -1 1 643.787 7.124 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000097969940 553947382 /nfs/dbraw/zinc/94/73/82/553947382.db2.gz GYKLCLJWQOEHGC-MHZLTWQESA-N -1 1 582.678 6.607 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000097969940 553947383 /nfs/dbraw/zinc/94/73/83/553947383.db2.gz GYKLCLJWQOEHGC-MHZLTWQESA-N -1 1 582.678 6.607 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097969962 553947752 /nfs/dbraw/zinc/94/77/52/553947752.db2.gz XYXOGNMJLCCZBV-KWMCUTETSA-N -1 1 580.662 6.339 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097969962 553947755 /nfs/dbraw/zinc/94/77/55/553947755.db2.gz XYXOGNMJLCCZBV-KWMCUTETSA-N -1 1 580.662 6.339 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097969965 553947863 /nfs/dbraw/zinc/94/78/63/553947863.db2.gz FSQXQJYFDVAELA-YTTGMZPUSA-N -1 1 634.710 7.055 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970047 553948431 /nfs/dbraw/zinc/94/84/31/553948431.db2.gz IJEYLKQMARZSCU-XBBWARJSSA-N -1 1 584.694 6.899 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970036 553948518 /nfs/dbraw/zinc/94/85/18/553948518.db2.gz WMQTYBYLZGXGMK-YHAMSUFESA-N -1 1 574.655 5.724 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970036 553948521 /nfs/dbraw/zinc/94/85/21/553948521.db2.gz WMQTYBYLZGXGMK-YHAMSUFESA-N -1 1 574.655 5.724 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970049 553948592 /nfs/dbraw/zinc/94/85/92/553948592.db2.gz MIZNNHGNNNFTBP-WRGVRERRSA-N -1 1 598.721 7.370 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970042 553948774 /nfs/dbraw/zinc/94/87/74/553948774.db2.gz FFDKEYQNLJXYEG-PRAQEBQASA-N -1 1 598.721 7.370 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097970058 553949057 /nfs/dbraw/zinc/94/90/57/553949057.db2.gz NNCXIDOEKGINQL-HFJWLAOPSA-N -1 1 613.717 6.032 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097970112 553949526 /nfs/dbraw/zinc/94/95/26/553949526.db2.gz RRQDENMUZHVNLS-CGKQSPDFSA-N -1 1 653.156 8.034 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097970112 553949528 /nfs/dbraw/zinc/94/95/28/553949528.db2.gz RRQDENMUZHVNLS-CGKQSPDFSA-N -1 1 653.156 8.034 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000097970097 553949663 /nfs/dbraw/zinc/94/96/63/553949663.db2.gz RHAHLGYFQJIMPY-PBUKZNKTSA-N -1 1 705.858 8.223 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970105 553949667 /nfs/dbraw/zinc/94/96/67/553949667.db2.gz BLFUFJWFKVNPKW-GDLZYMKVSA-N -1 1 600.693 6.674 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970105 553949668 /nfs/dbraw/zinc/94/96/68/553949668.db2.gz BLFUFJWFKVNPKW-GDLZYMKVSA-N -1 1 600.693 6.674 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097970147 553949889 /nfs/dbraw/zinc/94/98/89/553949889.db2.gz HAFMANOOEOBYDS-CPJLOUKISA-N -1 1 592.670 5.532 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097970145 553950149 /nfs/dbraw/zinc/95/01/49/553950149.db2.gz HAFMANOOEOBYDS-LMKMVOKYSA-N -1 1 592.670 5.532 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970159 553950362 /nfs/dbraw/zinc/95/03/62/553950362.db2.gz IMYGHNOCBHLWCD-DXPJPUQTSA-N -1 1 576.671 5.948 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970159 553950365 /nfs/dbraw/zinc/95/03/65/553950365.db2.gz IMYGHNOCBHLWCD-DXPJPUQTSA-N -1 1 576.671 5.948 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970167 553950493 /nfs/dbraw/zinc/95/04/93/553950493.db2.gz YISZKSHSNAKION-XBBWARJSSA-N -1 1 661.777 7.263 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000097970203 553950892 /nfs/dbraw/zinc/95/08/92/553950892.db2.gz BEQZGUPZGZIKEH-NBLPZQPVSA-N -1 1 709.821 8.054 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970227 553951265 /nfs/dbraw/zinc/95/12/65/553951265.db2.gz KUJPFCDOETZZLO-LGGPFLRQSA-N -1 1 627.788 7.362 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970212 553951304 /nfs/dbraw/zinc/95/13/04/553951304.db2.gz WIYCYUVWPIOKAT-WGDIFIGCSA-N -1 1 606.697 5.922 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970212 553951305 /nfs/dbraw/zinc/95/13/05/553951305.db2.gz WIYCYUVWPIOKAT-WGDIFIGCSA-N -1 1 606.697 5.922 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970244 553951681 /nfs/dbraw/zinc/95/16/81/553951681.db2.gz QJODPTZUVUUFST-JCOAXYOVSA-N -1 1 649.794 7.879 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097970243 553951739 /nfs/dbraw/zinc/95/17/39/553951739.db2.gz SRSOCJZMIDHXPZ-DEOSSOPVSA-N -1 1 593.455 6.012 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097970242 553951760 /nfs/dbraw/zinc/95/17/60/553951760.db2.gz SRSOCJZMIDHXPZ-XMMPIXPASA-N -1 1 593.455 6.012 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000097970297 553952032 /nfs/dbraw/zinc/95/20/32/553952032.db2.gz CYHPWIIOKUJGLE-PVAZPRTOSA-N -1 1 691.831 7.914 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000097970295 553952056 /nfs/dbraw/zinc/95/20/56/553952056.db2.gz CYHPWIIOKUJGLE-FLASPHMUSA-N -1 1 691.831 7.914 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970293 553952120 /nfs/dbraw/zinc/95/21/20/553952120.db2.gz CBWHGNCIVAOMEX-PRAQEBQASA-N -1 1 654.741 6.712 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970317 553952545 /nfs/dbraw/zinc/95/25/45/553952545.db2.gz PIXNNCFZLJJBGW-KTBRYMIGSA-N -1 1 618.711 7.380 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970345 553952830 /nfs/dbraw/zinc/95/28/30/553952830.db2.gz OSIXMIRGXPJXFD-XRHLQHRESA-N -1 1 634.179 7.379 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970364 553952979 /nfs/dbraw/zinc/95/29/79/553952979.db2.gz YBMLNDVEDOUVEM-DNOBIOAJSA-N -1 1 615.708 6.641 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097970394 553953276 /nfs/dbraw/zinc/95/32/76/553953276.db2.gz MWFWBZZTTIYVNL-GDLZYMKVSA-N -1 1 598.677 6.431 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097970379 553953339 /nfs/dbraw/zinc/95/33/39/553953339.db2.gz WDHRFKZKIHCXDL-CLYVBNDRSA-N -1 1 618.708 6.088 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097970379 553953342 /nfs/dbraw/zinc/95/33/42/553953342.db2.gz WDHRFKZKIHCXDL-CLYVBNDRSA-N -1 1 618.708 6.088 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097970376 553953360 /nfs/dbraw/zinc/95/33/60/553953360.db2.gz WDHRFKZKIHCXDL-XRHLQHRESA-N -1 1 618.708 6.088 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097970376 553953362 /nfs/dbraw/zinc/95/33/62/553953362.db2.gz WDHRFKZKIHCXDL-XRHLQHRESA-N -1 1 618.708 6.088 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097970408 553953698 /nfs/dbraw/zinc/95/36/98/553953698.db2.gz KZIHFEIHDFKNLJ-IIMAJNMQSA-N -1 1 657.814 7.514 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970455 553954143 /nfs/dbraw/zinc/95/41/43/553954143.db2.gz ZBRAWKBUSFEZJG-KCEHZKJRSA-N -1 1 663.821 8.269 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970478 553954487 /nfs/dbraw/zinc/95/44/87/553954487.db2.gz MHZMSKWSIRTPJG-SSEXGKCCSA-N -1 1 606.656 6.438 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970478 553954492 /nfs/dbraw/zinc/95/44/92/553954492.db2.gz MHZMSKWSIRTPJG-SSEXGKCCSA-N -1 1 606.656 6.438 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097970471 553954683 /nfs/dbraw/zinc/95/46/83/553954683.db2.gz IBOQZXDXKMPDEA-MYUZEXMDSA-N -1 1 618.180 7.714 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097970471 553954685 /nfs/dbraw/zinc/95/46/85/553954685.db2.gz IBOQZXDXKMPDEA-MYUZEXMDSA-N -1 1 618.180 7.714 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970503 553954997 /nfs/dbraw/zinc/95/49/97/553954997.db2.gz WICDEVOXFPZIPD-LMKMVOKYSA-N -1 1 634.135 6.377 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097970537 553955553 /nfs/dbraw/zinc/95/55/53/553955553.db2.gz LVHQGMSWFNPGNZ-CHAGWJKLSA-N -1 1 572.639 5.819 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970542 553955568 /nfs/dbraw/zinc/95/55/68/553955568.db2.gz NEXGSQATWVFRKW-OLILMLBXSA-N -1 1 643.787 7.043 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970555 553955899 /nfs/dbraw/zinc/95/58/99/553955899.db2.gz DUIUSWNCWUHUMV-MYYSRTQBSA-N -1 1 578.643 5.142 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970555 553955901 /nfs/dbraw/zinc/95/59/01/553955901.db2.gz DUIUSWNCWUHUMV-MYYSRTQBSA-N -1 1 578.643 5.142 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000097970610 553956443 /nfs/dbraw/zinc/95/64/43/553956443.db2.gz FEMQRVTYPGSWBZ-JCOAXYOVSA-N -1 1 588.685 7.812 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970624 553956736 /nfs/dbraw/zinc/95/67/36/553956736.db2.gz WDBFLAWGLSOKPX-WRGVRERRSA-N -1 1 598.721 7.289 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970625 553956878 /nfs/dbraw/zinc/95/68/78/553956878.db2.gz WDBFLAWGLSOKPX-PRAQEBQASA-N -1 1 598.721 7.289 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097970673 553957228 /nfs/dbraw/zinc/95/72/28/553957228.db2.gz VKINNUVWUPTWEM-NBLPZQPVSA-N -1 1 632.738 7.607 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970705 553957516 /nfs/dbraw/zinc/95/75/16/553957516.db2.gz UJSDQAAKPRUHAN-BZQUYTCOSA-N -1 1 562.644 5.558 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970705 553957517 /nfs/dbraw/zinc/95/75/17/553957517.db2.gz UJSDQAAKPRUHAN-BZQUYTCOSA-N -1 1 562.644 5.558 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970724 553957965 /nfs/dbraw/zinc/95/79/65/553957965.db2.gz JUJMHJHOPKWVAU-PLTNMMHCSA-N -1 1 628.747 7.379 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970724 553957968 /nfs/dbraw/zinc/95/79/68/553957968.db2.gz JUJMHJHOPKWVAU-PLTNMMHCSA-N -1 1 628.747 7.379 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970756 553958333 /nfs/dbraw/zinc/95/83/33/553958333.db2.gz NFCLWJVXVSQVGD-VKGTZQKMSA-N -1 1 568.651 6.227 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970756 553958334 /nfs/dbraw/zinc/95/83/34/553958334.db2.gz NFCLWJVXVSQVGD-VKGTZQKMSA-N -1 1 568.651 6.227 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000097970967 553959798 /nfs/dbraw/zinc/95/97/98/553959798.db2.gz PCLFCOFEJRHOIJ-XMMPIXPASA-N -1 1 562.600 5.122 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000097970967 553959800 /nfs/dbraw/zinc/95/98/00/553959800.db2.gz PCLFCOFEJRHOIJ-XMMPIXPASA-N -1 1 562.600 5.122 50 30 KKEAMM Cc1ccc2oc(-c3cc(N=CC4=CC(=[NH+][N-]c5cccc(Br)c5)C=CC4=O)ccc3[O-])nc2c1 ZINC000097995575 554036142 /nfs/dbraw/zinc/03/61/42/554036142.db2.gz LDPBYTOGRQMPDJ-STHZSOENSA-N -1 1 527.378 8.143 50 30 KKEAMM CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000097999858 554046495 /nfs/dbraw/zinc/04/64/95/554046495.db2.gz PVDPLAQFKGFUOT-FEJAXNNGSA-N -1 1 665.186 8.392 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(F)cc2)nc1C ZINC000098045754 554133490 /nfs/dbraw/zinc/13/34/90/554133490.db2.gz PYHXBXJDNGJBOX-PEBXRYMYSA-N -1 1 534.565 5.040 50 30 KKEAMM CC[C@H](C)Oc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000098046026 554135187 /nfs/dbraw/zinc/13/51/87/554135187.db2.gz XCWQBYPGBWDIQW-OZZMDNJMSA-N -1 1 598.696 6.647 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc1 ZINC000098046036 554135248 /nfs/dbraw/zinc/13/52/48/554135248.db2.gz XRYUPUOZOLRYHU-NDEPHWFRSA-N -1 1 557.002 6.114 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000098046330 554137912 /nfs/dbraw/zinc/13/79/12/554137912.db2.gz CMVJBPCETGTBFN-OAQYLSRUSA-N -1 1 541.025 5.772 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000098046329 554138026 /nfs/dbraw/zinc/13/80/26/554138026.db2.gz SUZQTMMMZVIVMU-QFIPXVFZSA-N -1 1 536.581 5.423 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098046450 554138922 /nfs/dbraw/zinc/13/89/22/554138922.db2.gz YPGXVEDZKGBQSS-HHHXNRCGSA-N -1 1 652.194 7.463 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000098046427 554138933 /nfs/dbraw/zinc/13/89/33/554138933.db2.gz VQZFPVPHVPKXRV-VWLOTQADSA-N -1 1 654.583 7.694 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccccc2F)cc1 ZINC000098046471 554139295 /nfs/dbraw/zinc/13/92/95/554139295.db2.gz MILBGRCOJNHZMF-VWLOTQADSA-N -1 1 593.677 7.070 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000098046473 554139336 /nfs/dbraw/zinc/13/93/36/554139336.db2.gz DGSGJVJWOITAGE-VWLOTQADSA-N -1 1 593.677 7.070 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000098046479 554139488 /nfs/dbraw/zinc/13/94/88/554139488.db2.gz LETZFHMPSWVESY-VWLOTQADSA-N -1 1 671.038 8.208 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046503 554139716 /nfs/dbraw/zinc/13/97/16/554139716.db2.gz RDTJIOIAHWASKN-QHCPKHFHSA-N -1 1 626.087 6.201 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046497 554139751 /nfs/dbraw/zinc/13/97/51/554139751.db2.gz LGRCGNCESCMUBJ-PMERELPUSA-N -1 1 687.746 7.488 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046513 554139908 /nfs/dbraw/zinc/13/99/08/554139908.db2.gz UBERUCBECIRDFP-UMSFTDKQSA-N -1 1 719.816 8.502 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046531 554140236 /nfs/dbraw/zinc/14/02/36/554140236.db2.gz MZXSUSFPRGBNBG-AREMUKBSSA-N -1 1 602.137 8.136 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046530 554140389 /nfs/dbraw/zinc/14/03/89/554140389.db2.gz CAYMKLVWFMEVCS-SANMLTNESA-N -1 1 616.120 7.578 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)o1 ZINC000098046545 554140591 /nfs/dbraw/zinc/14/05/91/554140591.db2.gz VIQFMLCLVMIXTG-JOCHJYFZSA-N -1 1 547.589 6.400 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098046544 554140696 /nfs/dbraw/zinc/14/06/96/554140696.db2.gz YQSWMJVEXHMOSJ-LJAQVGFWSA-N -1 1 659.761 8.076 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000098046572 554140851 /nfs/dbraw/zinc/14/08/51/554140851.db2.gz ZRAHQYDEMUFGBV-DEOSSOPVSA-N -1 1 574.655 5.646 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000098046572 554140854 /nfs/dbraw/zinc/14/08/54/554140854.db2.gz ZRAHQYDEMUFGBV-DEOSSOPVSA-N -1 1 574.655 5.646 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098046607 554141626 /nfs/dbraw/zinc/14/16/26/554141626.db2.gz LDIRBSHYRDEFTB-HKBQPEDESA-N -1 1 665.793 7.717 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098046659 554141978 /nfs/dbraw/zinc/14/19/78/554141978.db2.gz BKZJNMFXCPNIIW-OAQYLSRUSA-N -1 1 551.577 5.108 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccs2)nc1C ZINC000098046689 554142343 /nfs/dbraw/zinc/14/23/43/554142343.db2.gz RCOGPTVTOVZDRR-HSZRJFAPSA-N -1 1 560.653 5.970 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(Br)cc3)cc2)c1 ZINC000098046685 554142485 /nfs/dbraw/zinc/14/24/85/554142485.db2.gz WWNGGSCPPQLHRM-XMMPIXPASA-N -1 1 561.457 6.576 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000098046851 554144475 /nfs/dbraw/zinc/14/44/75/554144475.db2.gz OLPWMGBUFYDSNA-QFIPXVFZSA-N -1 1 568.051 6.414 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000098047114 554146675 /nfs/dbraw/zinc/14/66/75/554146675.db2.gz CJBXLGJUVNFBIR-QHCPKHFHSA-N -1 1 640.493 5.738 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047265 554148403 /nfs/dbraw/zinc/14/84/03/554148403.db2.gz XMFGJGIGZDTHCX-MUUNZHRXSA-N -1 1 643.718 7.019 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047258 554148509 /nfs/dbraw/zinc/14/85/09/554148509.db2.gz GJEWFBCFACPSOQ-LJAQVGFWSA-N -1 1 657.745 7.322 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047304 554149171 /nfs/dbraw/zinc/14/91/71/554149171.db2.gz XAUWZAGFBMSTPL-NDEPHWFRSA-N -1 1 641.727 6.498 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047344 554149505 /nfs/dbraw/zinc/14/95/05/554149505.db2.gz DTPKKQCATXYQOT-MUUNZHRXSA-N -1 1 631.795 8.229 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047344 554149507 /nfs/dbraw/zinc/14/95/07/554149507.db2.gz DTPKKQCATXYQOT-MUUNZHRXSA-N -1 1 631.795 8.229 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000098047351 554149531 /nfs/dbraw/zinc/14/95/31/554149531.db2.gz UDQJCYCNAVAISA-MHZLTWQESA-N -1 1 636.195 7.844 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047385 554150042 /nfs/dbraw/zinc/15/00/42/554150042.db2.gz XNGYQYNJDFGEEB-QHCPKHFHSA-N -1 1 537.638 5.641 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000098047383 554150164 /nfs/dbraw/zinc/15/01/64/554150164.db2.gz JUYURUQXLLORPE-SANMLTNESA-N -1 1 587.723 6.801 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000098047399 554150338 /nfs/dbraw/zinc/15/03/38/554150338.db2.gz HMQYIVFYDHCTCZ-QHCPKHFHSA-N -1 1 644.533 7.154 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)c(F)c4)[C@H]3c3cccc(Oc4ccccc4)c3)s2)cc1 ZINC000098047396 554150352 /nfs/dbraw/zinc/15/03/52/554150352.db2.gz SYMIRQCZWJODRL-GDLZYMKVSA-N -1 1 623.731 8.162 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1 ZINC000098047408 554150524 /nfs/dbraw/zinc/15/05/24/554150524.db2.gz HAWOPXIWATYVCJ-GDLZYMKVSA-N -1 1 634.795 7.795 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000098047440 554150960 /nfs/dbraw/zinc/15/09/60/554150960.db2.gz OBTMVPDFRIXTLA-JOCHJYFZSA-N -1 1 555.052 6.162 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047434 554150992 /nfs/dbraw/zinc/15/09/92/554150992.db2.gz HSEDCKQSNYZDQV-HHHXNRCGSA-N -1 1 606.741 7.015 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000098047479 554151489 /nfs/dbraw/zinc/15/14/89/554151489.db2.gz MNRSOSLQGVAGQK-DEOSSOPVSA-N -1 1 590.654 5.543 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047531 554152304 /nfs/dbraw/zinc/15/23/04/554152304.db2.gz OJPYWIPEXOFVHF-PMERELPUSA-N -1 1 664.821 7.660 50 30 KKEAMM CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC ZINC000098047512 554152342 /nfs/dbraw/zinc/15/23/42/554152342.db2.gz ZPNFMSSIUYOSHU-YTTGMZPUSA-N -1 1 722.329 9.413 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C ZINC000098047543 554152687 /nfs/dbraw/zinc/15/26/87/554152687.db2.gz AQLDCGUHBRATAE-SSEXGKCCSA-N -1 1 662.805 7.724 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000098047599 554153026 /nfs/dbraw/zinc/15/30/26/554153026.db2.gz VXAZJMSZEPHZIU-AREMUKBSSA-N -1 1 589.714 7.240 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000098047573 554153057 /nfs/dbraw/zinc/15/30/57/554153057.db2.gz SCKZASBDWDHFBZ-JGCGQSQUSA-N -1 1 705.874 8.899 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047586 554153097 /nfs/dbraw/zinc/15/30/97/554153097.db2.gz ZHGHUAJGSKIUHN-HKBQPEDESA-N -1 1 708.302 8.879 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000098047600 554153376 /nfs/dbraw/zinc/15/33/76/554153376.db2.gz VXAZJMSZEPHZIU-SANMLTNESA-N -1 1 589.714 7.240 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000098047629 554153543 /nfs/dbraw/zinc/15/35/43/554153543.db2.gz DREFRSCOSXTRFW-RUZDIDTESA-N -1 1 593.677 7.070 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000098047607 554153658 /nfs/dbraw/zinc/15/36/58/554153658.db2.gz VHLMYHHSQSQALX-SSEXGKCCSA-N -1 1 657.814 7.674 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000098047615 554153686 /nfs/dbraw/zinc/15/36/86/554153686.db2.gz YVIVCGZVCFXDEV-RUZDIDTESA-N -1 1 593.677 7.070 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C)o2)cc1F ZINC000098047718 554154815 /nfs/dbraw/zinc/15/48/15/554154815.db2.gz PXGHBJUDCRVUJI-VWLOTQADSA-N -1 1 587.654 6.816 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000098047705 554155002 /nfs/dbraw/zinc/15/50/02/554155002.db2.gz JQHJBZHTIVELQH-GDLZYMKVSA-N -1 1 625.747 8.038 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047739 554155368 /nfs/dbraw/zinc/15/53/68/554155368.db2.gz KSNLTBZYVNLWNU-GDLZYMKVSA-N -1 1 641.746 7.621 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047750 554155475 /nfs/dbraw/zinc/15/54/75/554155475.db2.gz GSPSTEKGDGUNIO-MHZLTWQESA-N -1 1 597.693 7.223 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047785 554155735 /nfs/dbraw/zinc/15/57/35/554155735.db2.gz BAULOLQFZLULCL-GDLZYMKVSA-N -1 1 639.755 7.182 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047775 554155747 /nfs/dbraw/zinc/15/57/47/554155747.db2.gz QKAVHUGJQHPMSD-GDLZYMKVSA-N -1 1 623.731 7.779 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098047814 554156432 /nfs/dbraw/zinc/15/64/32/554156432.db2.gz ZVHASPGPYQWUHF-NDEPHWFRSA-N -1 1 625.728 6.792 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047834 554156750 /nfs/dbraw/zinc/15/67/50/554156750.db2.gz BGWSNXTXSKBUSJ-NDEPHWFRSA-N -1 1 678.594 9.160 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000098047904 554157375 /nfs/dbraw/zinc/15/73/75/554157375.db2.gz XJQSANLZXQUXJS-SANMLTNESA-N -1 1 602.112 7.867 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047916 554157603 /nfs/dbraw/zinc/15/76/03/554157603.db2.gz FJPYVJJYGLDPQW-NDEPHWFRSA-N -1 1 627.719 7.231 50 30 KKEAMM CO[C@@H]1CC([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)=CCC1=O ZINC000098047979 554158031 /nfs/dbraw/zinc/15/80/31/554158031.db2.gz SNHNMELEUNXBRP-YLJYHZDGSA-N -1 1 539.660 5.089 50 30 KKEAMM COc1ccc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(OCCC(C)C)c3)nc2c1 ZINC000098047996 554158386 /nfs/dbraw/zinc/15/83/86/554158386.db2.gz GKEGCXVKOPRTQW-DEOSSOPVSA-N -1 1 534.659 6.574 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048052 554159183 /nfs/dbraw/zinc/15/91/83/554159183.db2.gz GSRJQQLWQPBHII-MQNRADLISA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048052 554159186 /nfs/dbraw/zinc/15/91/86/554159186.db2.gz GSRJQQLWQPBHII-MQNRADLISA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048057 554159204 /nfs/dbraw/zinc/15/92/04/554159204.db2.gz RRNKGJXSCWJHCO-PVPMGCCUSA-N -1 1 560.603 5.949 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048057 554159207 /nfs/dbraw/zinc/15/92/07/554159207.db2.gz RRNKGJXSCWJHCO-PVPMGCCUSA-N -1 1 560.603 5.949 50 30 KKEAMM CCC(=O)N1CCN(c2ccc(/N=C/c3cc(Cc4ccccc4)cc(Br)c3[O-])cc2)CC1 ZINC000100055927 554196507 /nfs/dbraw/zinc/19/65/07/554196507.db2.gz YUFNSXRVFOZSPT-VUTHCHCSSA-N -1 1 506.444 5.555 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053290478 554331152 /nfs/dbraw/zinc/33/11/52/554331152.db2.gz FDVZPINBCPTXSE-NRFANRHFSA-N -1 1 521.392 5.850 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053290122 554331236 /nfs/dbraw/zinc/33/12/36/554331236.db2.gz VHKCEKPJQVWBGW-HSZRJFAPSA-N -1 1 549.446 6.467 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053292288 554332233 /nfs/dbraw/zinc/33/22/33/554332233.db2.gz JOFGGFIZXJNGRG-DEOSSOPVSA-N -1 1 535.021 6.530 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053305847 554332806 /nfs/dbraw/zinc/33/28/06/554332806.db2.gz PCGRSEQHBBOKLT-QHCPKHFHSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053305847 554332809 /nfs/dbraw/zinc/33/28/09/554332809.db2.gz PCGRSEQHBBOKLT-QHCPKHFHSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000053307081 554334725 /nfs/dbraw/zinc/33/47/25/554334725.db2.gz VASYFMKXSVVOTM-RUZDIDTESA-N -1 1 544.629 6.112 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000053307275 554335129 /nfs/dbraw/zinc/33/51/29/554335129.db2.gz QOGBBBLDPOVOHI-FQEVSTJZSA-N -1 1 571.449 5.491 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000053307655 554335148 /nfs/dbraw/zinc/33/51/48/554335148.db2.gz GLAKJDHFEJCFEJ-QFIPXVFZSA-N -1 1 525.413 6.785 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053307350 554335179 /nfs/dbraw/zinc/33/51/79/554335179.db2.gz MUYPMJYNIYKQHK-JOCHJYFZSA-N -1 1 569.864 6.894 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000053307435 554335203 /nfs/dbraw/zinc/33/52/03/554335203.db2.gz GSSSLPAJOUZHEC-XMMPIXPASA-N -1 1 551.020 6.149 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053307222 554335222 /nfs/dbraw/zinc/33/52/22/554335222.db2.gz UTRQWVNLSCHDMU-FQEVSTJZSA-N -1 1 561.443 6.035 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000053307668 554335403 /nfs/dbraw/zinc/33/54/03/554335403.db2.gz YYSYCORRHYWJPR-JOCHJYFZSA-N -1 1 541.398 5.535 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053307815 554335432 /nfs/dbraw/zinc/33/54/32/554335432.db2.gz KFAIGFFZNBGVAY-RUZDIDTESA-N -1 1 530.621 6.915 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053307680 554335541 /nfs/dbraw/zinc/33/55/41/554335541.db2.gz OGMIPQYRLHSDOX-QHCPKHFHSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053307680 554335538 /nfs/dbraw/zinc/33/55/38/554335538.db2.gz OGMIPQYRLHSDOX-QHCPKHFHSA-N -1 1 549.446 6.549 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053319199 554336584 /nfs/dbraw/zinc/33/65/84/554336584.db2.gz YHQCXNUCMDSAAQ-OWJWWREXSA-N -1 1 527.558 5.619 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000053319202 554336604 /nfs/dbraw/zinc/33/66/04/554336604.db2.gz ARSPPJOWCMRPOE-XRHLQHRESA-N -1 1 596.661 5.923 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000053319202 554336606 /nfs/dbraw/zinc/33/66/06/554336606.db2.gz ARSPPJOWCMRPOE-XRHLQHRESA-N -1 1 596.661 5.923 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053319206 554336650 /nfs/dbraw/zinc/33/66/50/554336650.db2.gz LAHRGAFGRSZDDW-QFIPXVFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053319206 554336651 /nfs/dbraw/zinc/33/66/51/554336651.db2.gz LAHRGAFGRSZDDW-QFIPXVFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053319190 554336696 /nfs/dbraw/zinc/33/66/96/554336696.db2.gz ORZVNHLWWSGQBV-QHCPKHFHSA-N -1 1 567.019 5.767 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053319226 554336923 /nfs/dbraw/zinc/33/69/23/554336923.db2.gz LLTHEJJZKISHMK-QFIPXVFZSA-N -1 1 519.420 6.459 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053319224 554336983 /nfs/dbraw/zinc/33/69/83/554336983.db2.gz QVQNVIBWAAIUFD-NRFANRHFSA-N -1 1 523.383 6.289 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053319279 554337183 /nfs/dbraw/zinc/33/71/83/554337183.db2.gz ZHJBYYWQNTUAPA-LJQANCHMSA-N -1 1 527.421 5.912 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000053319424 554337894 /nfs/dbraw/zinc/33/78/94/554337894.db2.gz JVKTWESYXWRMPL-MHZLTWQESA-N -1 1 526.545 5.362 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000053319424 554337891 /nfs/dbraw/zinc/33/78/91/554337891.db2.gz JVKTWESYXWRMPL-MHZLTWQESA-N -1 1 526.545 5.362 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000053319529 554338659 /nfs/dbraw/zinc/33/86/59/554338659.db2.gz ZSTPJSPASHUBDN-IZHWHUGBSA-N -1 1 532.618 5.549 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000053331844 554338682 /nfs/dbraw/zinc/33/86/82/554338682.db2.gz GKUATCPTBMDKRI-XMMPIXPASA-N -1 1 563.473 6.776 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000053319511 554338700 /nfs/dbraw/zinc/33/87/00/554338700.db2.gz RXNVSTXCMGPQIQ-FQEVSTJZSA-N -1 1 525.811 6.495 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053332310 554338905 /nfs/dbraw/zinc/33/89/05/554338905.db2.gz MNDYHPRRHDTCDQ-CPJLOUKISA-N -1 1 540.597 5.498 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053332600 554339017 /nfs/dbraw/zinc/33/90/17/554339017.db2.gz DRKGSZLCPZJMID-MYYSRTQBSA-N -1 1 561.457 6.474 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000053333055 554339476 /nfs/dbraw/zinc/33/94/76/554339476.db2.gz CQVJWPJZRJXPRD-JCQPUDPBSA-N -1 1 531.521 5.450 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000053333125 554339520 /nfs/dbraw/zinc/33/95/20/554339520.db2.gz SKRMMPJOKWQXRQ-ZLOXQWCVSA-N -1 1 581.875 6.819 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000053333519 554339530 /nfs/dbraw/zinc/33/95/30/554339530.db2.gz DJXHQYVHANNUIN-OWJWWREXSA-N -1 1 594.089 6.729 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000053334755 554340086 /nfs/dbraw/zinc/34/00/86/554340086.db2.gz YTDJRYOERMVAFZ-BZQUYTCOSA-N -1 1 556.596 5.198 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000053334755 554340089 /nfs/dbraw/zinc/34/00/89/554340089.db2.gz YTDJRYOERMVAFZ-BZQUYTCOSA-N -1 1 556.596 5.198 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053334919 554340545 /nfs/dbraw/zinc/34/05/45/554340545.db2.gz CUMUMGYDMBJQRI-WHLCRQNOSA-N -1 1 554.668 6.890 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053335294 554340734 /nfs/dbraw/zinc/34/07/34/554340734.db2.gz LZQZQHHAMVRXQN-HSZRJFAPSA-N -1 1 529.530 5.067 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000053335200 554340814 /nfs/dbraw/zinc/34/08/14/554340814.db2.gz FEMQRVTYPGSWBZ-UKPGIYTDSA-N -1 1 588.685 7.812 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000053335462 554341088 /nfs/dbraw/zinc/34/10/88/554341088.db2.gz OKVZXFYPVNGTDX-QFIPXVFZSA-N -1 1 549.948 5.412 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000053336176 554341417 /nfs/dbraw/zinc/34/14/17/554341417.db2.gz LNQZNUDMBPKCKD-XMMPIXPASA-N -1 1 567.450 6.774 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053335802 554341423 /nfs/dbraw/zinc/34/14/23/554341423.db2.gz ZWIGRVOWZKLLLY-SHACYNPGSA-N -1 1 533.005 6.065 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053335802 554341427 /nfs/dbraw/zinc/34/14/27/554341427.db2.gz ZWIGRVOWZKLLLY-SHACYNPGSA-N -1 1 533.005 6.065 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053337701 554342470 /nfs/dbraw/zinc/34/24/70/554342470.db2.gz FNTFVSBOFIHCPI-HHHXNRCGSA-N -1 1 556.640 6.256 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053339250 554343211 /nfs/dbraw/zinc/34/32/11/554343211.db2.gz GIKRHMXIUYKMKJ-MHZLTWQESA-N -1 1 591.085 7.073 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000053339588 554343596 /nfs/dbraw/zinc/34/35/96/554343596.db2.gz BHNNELALQGQAAI-QMTYFTJSSA-N -1 1 559.087 7.354 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000053340276 554344204 /nfs/dbraw/zinc/34/42/04/554344204.db2.gz MIDOXYGFHLEFGM-QFIPXVFZSA-N -1 1 539.396 6.157 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053340472 554344292 /nfs/dbraw/zinc/34/42/92/554344292.db2.gz UBQOWWKVWUFTFP-FQEVSTJZSA-N -1 1 525.449 6.520 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053340472 554344290 /nfs/dbraw/zinc/34/42/90/554344290.db2.gz UBQOWWKVWUFTFP-FQEVSTJZSA-N -1 1 525.449 6.520 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053340539 554344331 /nfs/dbraw/zinc/34/43/31/554344331.db2.gz YXXQEELBBXLYDF-DEOSSOPVSA-N -1 1 565.047 6.375 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053340586 554344343 /nfs/dbraw/zinc/34/43/43/554344343.db2.gz KUFJBIDMYSJUHU-HSZRJFAPSA-N -1 1 531.546 5.395 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053340539 554344333 /nfs/dbraw/zinc/34/43/33/554344333.db2.gz YXXQEELBBXLYDF-DEOSSOPVSA-N -1 1 565.047 6.375 50 30 KKEAMM C=CCCc1ccc(C#N)c(SCc2c(C(=O)OCC)c3cc([O-])c(Br)cc3n2C)n1 ZINC000059367509 554393276 /nfs/dbraw/zinc/39/32/76/554393276.db2.gz SLNUCRJKNHTQFB-UHFFFAOYSA-N -1 1 500.418 5.501 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000100439716 554393409 /nfs/dbraw/zinc/39/34/09/554393409.db2.gz KRLFDPVMZRCLBS-YDJIHCHBSA-N -1 1 531.175 5.977 50 30 KKEAMM CC(=NNc1cc(C)nc(-c2cc(Br)cc(Br)c2[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC000059640887 554416549 /nfs/dbraw/zinc/41/65/49/554416549.db2.gz JYXVUQARGKGDNQ-BHGWPJFGSA-N -1 1 521.169 5.427 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccccc2F)cc1 ZINC000100674865 554443255 /nfs/dbraw/zinc/44/32/55/554443255.db2.gz MOIUDXVUGIWLIV-DEOSSOPVSA-N -1 1 566.651 6.365 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000100675306 554443661 /nfs/dbraw/zinc/44/36/61/554443661.db2.gz FKESLAUHPHKFAJ-VWLOTQADSA-N -1 1 578.687 6.235 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000100677206 554444260 /nfs/dbraw/zinc/44/42/60/554444260.db2.gz MMHQBFWGURWTBX-LJQANCHMSA-N -1 1 559.413 5.621 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100677685 554444715 /nfs/dbraw/zinc/44/47/15/554444715.db2.gz UAFZEYCMIXSGRI-HSZRJFAPSA-N -1 1 552.624 6.038 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000100679709 554445672 /nfs/dbraw/zinc/44/56/72/554445672.db2.gz NGELUPZQTKTZKM-JOCHJYFZSA-N -1 1 555.052 6.243 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000100679912 554445691 /nfs/dbraw/zinc/44/56/91/554445691.db2.gz XBGZXHBSSUTPJL-RUZDIDTESA-N -1 1 594.686 5.997 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(O)cc2)nc1C ZINC000100679953 554446023 /nfs/dbraw/zinc/44/60/23/554446023.db2.gz BRUPHSIGBGSIMR-HSZRJFAPSA-N -1 1 548.617 5.462 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100680341 554446285 /nfs/dbraw/zinc/44/62/85/554446285.db2.gz LINODXZUMKVKKP-HSZRJFAPSA-N -1 1 601.508 7.063 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000100680328 554446392 /nfs/dbraw/zinc/44/63/92/554446392.db2.gz TZECJJGUMJKJPK-VWLOTQADSA-N -1 1 576.671 6.155 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCC)c(OC)c2)nc1C ZINC000100680272 554446412 /nfs/dbraw/zinc/44/64/12/554446412.db2.gz HPHDYTUGASZSDQ-NDEPHWFRSA-N -1 1 634.751 6.944 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000100680334 554446512 /nfs/dbraw/zinc/44/65/12/554446512.db2.gz YVHQXGPNUXSLDG-AREMUKBSSA-N -1 1 606.697 6.163 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000100680702 554446724 /nfs/dbraw/zinc/44/67/24/554446724.db2.gz XOTKHTWPLMAYDV-NRFANRHFSA-N -1 1 541.025 5.853 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccnc2)nc1C ZINC000100680413 554446842 /nfs/dbraw/zinc/44/68/42/554446842.db2.gz HFYHAWNUDVCLJX-QFIPXVFZSA-N -1 1 533.606 5.151 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000100681080 554447178 /nfs/dbraw/zinc/44/71/78/554447178.db2.gz QRWWLVXVVJSXHA-NRFANRHFSA-N -1 1 541.025 5.853 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000100681056 554447194 /nfs/dbraw/zinc/44/71/94/554447194.db2.gz FSMFLUVKEULLDW-OAQYLSRUSA-N -1 1 585.476 5.962 50 30 KKEAMM CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100681077 554447216 /nfs/dbraw/zinc/44/72/16/554447216.db2.gz CNXJNVFZKQZUSS-NDEPHWFRSA-N -1 1 636.767 7.168 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)c(C)c1 ZINC000100736813 554461232 /nfs/dbraw/zinc/46/12/32/554461232.db2.gz ONXRNDKJBBSVJI-QFIPXVFZSA-N -1 1 555.052 6.162 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100736794 554461317 /nfs/dbraw/zinc/46/13/17/554461317.db2.gz VRFYXRFGGZFLFU-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100736794 554461320 /nfs/dbraw/zinc/46/13/20/554461320.db2.gz VRFYXRFGGZFLFU-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM CCCCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(CC)cc1)c1ccccc21 ZINC000100738842 554462168 /nfs/dbraw/zinc/46/21/68/554462168.db2.gz XBAIEZOHLXLXTR-UHFFFAOYSA-N -1 1 507.652 7.385 50 30 KKEAMM CCCCCCCCCCCCCCCCOc1ccccc1[C@H]1C=NN(c2ccc(S(=O)(=O)[O-])cc2)C1=O ZINC000100854449 554493421 /nfs/dbraw/zinc/49/34/21/554493421.db2.gz YJPOGYNOFMQAQV-GDLZYMKVSA-N -1 1 556.769 7.910 50 30 KKEAMM CCCCCCCCCCCCCCCCOc1ccccc1-c1c[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c1=O ZINC000100854449 554493425 /nfs/dbraw/zinc/49/34/25/554493425.db2.gz YJPOGYNOFMQAQV-GDLZYMKVSA-N -1 1 556.769 7.910 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069784 554574124 /nfs/dbraw/zinc/57/41/24/554574124.db2.gz QVOMZPVTXSFSIX-HOGKFDNTSA-N -1 1 519.420 6.302 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000101069820 554574281 /nfs/dbraw/zinc/57/42/81/554574281.db2.gz POZKHLZQVTVRCU-YDJIHCHBSA-N -1 1 536.731 6.748 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)o1 ZINC000101069861 554574363 /nfs/dbraw/zinc/57/43/63/554574363.db2.gz SMIIQULQUUOUTA-WOOAAIBNSA-N -1 1 513.344 5.726 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)o1 ZINC000101069854 554574381 /nfs/dbraw/zinc/57/43/81/554574381.db2.gz PKYYTVTWCMHJJF-PGVNHDJNSA-N -1 1 523.408 6.203 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101069836 554574389 /nfs/dbraw/zinc/57/43/89/554574389.db2.gz FDYIUEAGIPLPJR-HFEWCJDKSA-N -1 1 537.410 6.441 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069787 554574399 /nfs/dbraw/zinc/57/43/99/554574399.db2.gz IOFPYUIMNHASGV-JBCNATCCSA-N -1 1 523.383 6.133 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101069824 554574470 /nfs/dbraw/zinc/57/44/70/554574470.db2.gz SKFQXADIGGLKHZ-HFEWCJDKSA-N -1 1 553.865 6.955 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276836 554703593 /nfs/dbraw/zinc/70/35/93/554703593.db2.gz SPFVGAOJEUVWQT-CZNAVJSXSA-N -1 1 618.664 5.155 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000101277373 554703998 /nfs/dbraw/zinc/70/39/98/554703998.db2.gz DMHIXOCMQRRWGH-NXLSWJSLSA-N -1 1 578.643 5.145 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000101277830 554704272 /nfs/dbraw/zinc/70/42/72/554704272.db2.gz QJBAOUZSMQYXTE-WGGXKBPPSA-N -1 1 608.716 6.870 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000101278008 554704554 /nfs/dbraw/zinc/70/45/54/554704554.db2.gz KRZZUAHBOWTEEX-ONQGDUAMSA-N -1 1 625.659 6.216 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C ZINC000101278207 554704838 /nfs/dbraw/zinc/70/48/38/554704838.db2.gz SVXBLDUZODXGHK-JBCNATCCSA-N -1 1 583.460 5.500 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccnc2)nc1C ZINC000101278526 554705102 /nfs/dbraw/zinc/70/51/02/554705102.db2.gz BKDWXQNIUHFJOO-CZNAVJSXSA-N -1 1 581.650 5.703 50 30 KKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000101288289 554706613 /nfs/dbraw/zinc/70/66/13/554706613.db2.gz KGCGRCQXGYZFHS-MOBKVPTQSA-N -1 1 518.591 5.128 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000101288289 554706616 /nfs/dbraw/zinc/70/66/16/554706616.db2.gz KGCGRCQXGYZFHS-MOBKVPTQSA-N -1 1 518.591 5.128 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294235 554710830 /nfs/dbraw/zinc/71/08/30/554710830.db2.gz MPHZLDYCWXABLD-HTUFKCTLSA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294235 554710831 /nfs/dbraw/zinc/71/08/31/554710831.db2.gz MPHZLDYCWXABLD-HTUFKCTLSA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294522 554711138 /nfs/dbraw/zinc/71/11/38/554711138.db2.gz DTUMBHBURWWHAN-ZHHPLPSFSA-N -1 1 502.617 6.111 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294536 554711186 /nfs/dbraw/zinc/71/11/86/554711186.db2.gz RGNUDEGGICXRNL-MOBKVPTQSA-N -1 1 504.589 5.558 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294335 554711311 /nfs/dbraw/zinc/71/13/11/554711311.db2.gz QNCYSROSRFPRFL-NPJIAGGLSA-N -1 1 561.015 5.912 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000101310231 554717268 /nfs/dbraw/zinc/71/72/68/554717268.db2.gz LCHFLHGLYGFMFJ-KVBNAJLESA-N -1 1 596.705 6.826 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310288 554717679 /nfs/dbraw/zinc/71/76/79/554717679.db2.gz CUWHZHXKQLWLAE-NYFCFKJUSA-N -1 1 598.677 6.218 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316572 554723633 /nfs/dbraw/zinc/72/36/33/554723633.db2.gz UYCHDWNIUWOMOU-XKNZNLGKSA-N -1 1 568.651 6.210 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000101316432 554723731 /nfs/dbraw/zinc/72/37/31/554723731.db2.gz FOVUMZIZTFEANM-NEMSTITPSA-N -1 1 572.639 5.309 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000101316432 554723733 /nfs/dbraw/zinc/72/37/33/554723733.db2.gz FOVUMZIZTFEANM-NEMSTITPSA-N -1 1 572.639 5.309 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316573 554723829 /nfs/dbraw/zinc/72/38/29/554723829.db2.gz VGUJWRBRMFJYAD-UUALVTFQSA-N -1 1 570.623 5.657 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316573 554723831 /nfs/dbraw/zinc/72/38/31/554723831.db2.gz VGUJWRBRMFJYAD-UUALVTFQSA-N -1 1 570.623 5.657 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000101316862 554724141 /nfs/dbraw/zinc/72/41/41/554724141.db2.gz PPUMWZZHRBONIC-NSOCNUKWSA-N -1 1 615.708 6.484 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000101316975 554724334 /nfs/dbraw/zinc/72/43/34/554724334.db2.gz XPIZKVVEMNGGDW-ROBPHKHBSA-N -1 1 615.708 6.484 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000101347439 554737567 /nfs/dbraw/zinc/73/75/67/554737567.db2.gz LVLWDQYQRYTGAH-SGANQWHYSA-N -1 1 557.584 5.710 50 30 KKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101376343 554746425 /nfs/dbraw/zinc/74/64/25/554746425.db2.gz JHYDDFFBKPFXJT-JOCHJYFZSA-N -1 1 538.069 5.933 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000101975101 554862856 /nfs/dbraw/zinc/86/28/56/554862856.db2.gz QZUXAACEWRERPR-AREMUKBSSA-N -1 1 613.648 6.207 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102483985 554937778 /nfs/dbraw/zinc/93/77/78/554937778.db2.gz LTKTZDSSTCHHLO-CZNAVJSXSA-N -1 1 528.630 6.453 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102488928 554938876 /nfs/dbraw/zinc/93/88/76/554938876.db2.gz VIPDPBREHCPCFI-MOBKVPTQSA-N -1 1 551.418 5.702 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102491845 554939306 /nfs/dbraw/zinc/93/93/06/554939306.db2.gz NOLZDABCOQMCLG-SBXHHDGASA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102491845 554939307 /nfs/dbraw/zinc/93/93/07/554939307.db2.gz NOLZDABCOQMCLG-SBXHHDGASA-N -1 1 546.601 5.347 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102493629 554940124 /nfs/dbraw/zinc/94/01/24/554940124.db2.gz GAPRIEXLSQFQNH-MRJHHRETSA-N -1 1 541.025 5.613 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102499316 554941919 /nfs/dbraw/zinc/94/19/19/554941919.db2.gz AYZRKHQRBMDQFR-HOGKFDNTSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102499316 554941920 /nfs/dbraw/zinc/94/19/20/554941920.db2.gz AYZRKHQRBMDQFR-HOGKFDNTSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102500720 554942831 /nfs/dbraw/zinc/94/28/31/554942831.db2.gz GDCKTEVQLTYEPN-BUANBSPESA-N -1 1 504.995 6.201 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102506137 554944564 /nfs/dbraw/zinc/94/45/64/554944564.db2.gz VSPNJRUFQBXQLS-SBXHHDGASA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102506329 554944589 /nfs/dbraw/zinc/94/45/89/554944589.db2.gz QYHLOJQWZMACMS-HOGKFDNTSA-N -1 1 506.605 5.782 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102508113 554945188 /nfs/dbraw/zinc/94/51/88/554945188.db2.gz KZIOSIHDEGXMNA-NPJIAGGLSA-N -1 1 530.602 5.647 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102508962 554945646 /nfs/dbraw/zinc/94/56/46/554945646.db2.gz ZHIICVXSPNNISA-AYWGPLOBSA-N -1 1 504.995 6.283 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102508962 554945648 /nfs/dbraw/zinc/94/56/48/554945648.db2.gz ZHIICVXSPNNISA-AYWGPLOBSA-N -1 1 504.995 6.283 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102509455 554945665 /nfs/dbraw/zinc/94/56/65/554945665.db2.gz NWAZQLYGUUTXHU-ZHHPLPSFSA-N -1 1 534.565 5.396 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102509455 554945668 /nfs/dbraw/zinc/94/56/68/554945668.db2.gz NWAZQLYGUUTXHU-ZHHPLPSFSA-N -1 1 534.565 5.396 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102520484 554949630 /nfs/dbraw/zinc/94/96/30/554949630.db2.gz BVMBPVKAIIZGMI-HFEWCJDKSA-N -1 1 503.511 5.587 50 30 KKEAMM COc1ccccc1[C@H]1C(=C([O-])c2ccc(Br)cc2)C(=O)C(=O)N1c1cc(C(C)(C)C)on1 ZINC000102522528 554949950 /nfs/dbraw/zinc/94/99/50/554949950.db2.gz BLFUNBTXMTZTGF-MRJHHRETSA-N -1 1 511.372 5.370 50 30 KKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1c1cc(C(C)(C)C)on1 ZINC000102522528 554949952 /nfs/dbraw/zinc/94/99/52/554949952.db2.gz BLFUNBTXMTZTGF-MRJHHRETSA-N -1 1 511.372 5.370 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102525284 554951685 /nfs/dbraw/zinc/95/16/85/554951685.db2.gz CXDVXSKRRBYEFF-HOGKFDNTSA-N -1 1 520.607 5.352 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102525284 554951686 /nfs/dbraw/zinc/95/16/86/554951686.db2.gz CXDVXSKRRBYEFF-HOGKFDNTSA-N -1 1 520.607 5.352 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102527147 554952486 /nfs/dbraw/zinc/95/24/86/554952486.db2.gz PZGXVMIXPXZZJZ-MOBKVPTQSA-N -1 1 535.419 6.084 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102527142 554952540 /nfs/dbraw/zinc/95/25/40/554952540.db2.gz PZGXVMIXPXZZJZ-HOGKFDNTSA-N -1 1 535.419 6.084 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102529317 554953036 /nfs/dbraw/zinc/95/30/36/554953036.db2.gz YNJPPDKWZFQVTF-MRJHHRETSA-N -1 1 539.382 5.833 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102529323 554953089 /nfs/dbraw/zinc/95/30/89/554953089.db2.gz YNJPPDKWZFQVTF-JBCNATCCSA-N -1 1 539.382 5.833 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102529795 554953430 /nfs/dbraw/zinc/95/34/30/554953430.db2.gz JGRLGPOEBKOMGG-ZHHPLPSFSA-N -1 1 520.994 5.983 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102529954 554953493 /nfs/dbraw/zinc/95/34/93/554953493.db2.gz SDRHGBNICKOYJR-SBXHHDGASA-N -1 1 534.565 5.478 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(CC)cc2)nc1C ZINC000102530144 554953664 /nfs/dbraw/zinc/95/36/64/554953664.db2.gz RKSPUQDQZVIIQS-HOGKFDNTSA-N -1 1 520.607 5.134 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102533511 554954781 /nfs/dbraw/zinc/95/47/81/554954781.db2.gz AGSYFPKWGLTRJD-NXLSWJSLSA-N -1 1 500.576 5.720 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102533932 554954932 /nfs/dbraw/zinc/95/49/32/554954932.db2.gz VJLNSHHNSGNWRL-ZHHPLPSFSA-N -1 1 516.575 5.257 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102536318 554955659 /nfs/dbraw/zinc/95/56/59/554955659.db2.gz CMSIITJRWWGINW-ONQGDUAMSA-N -1 1 614.676 5.856 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102537587 554956327 /nfs/dbraw/zinc/95/63/27/554956327.db2.gz ZGZORVXKWOMSQM-AYWGPLOBSA-N -1 1 596.042 5.472 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102543998 554958366 /nfs/dbraw/zinc/95/83/66/554958366.db2.gz UYHNDNOIXDYOGE-ZHHPLPSFSA-N -1 1 549.446 6.392 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102543998 554958370 /nfs/dbraw/zinc/95/83/70/554958370.db2.gz UYHNDNOIXDYOGE-ZHHPLPSFSA-N -1 1 549.446 6.392 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102544046 554958436 /nfs/dbraw/zinc/95/84/36/554958436.db2.gz WXXYVJMEFMACKJ-HOGKFDNTSA-N -1 1 520.563 5.240 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102544004 554958515 /nfs/dbraw/zinc/95/85/15/554958515.db2.gz UYHNDNOIXDYOGE-AYWGPLOBSA-N -1 1 549.446 6.392 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102544004 554958516 /nfs/dbraw/zinc/95/85/16/554958516.db2.gz UYHNDNOIXDYOGE-AYWGPLOBSA-N -1 1 549.446 6.392 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102547600 554959966 /nfs/dbraw/zinc/95/99/66/554959966.db2.gz IZPONIVBIWBCRU-CJJGVWJISA-N -1 1 613.648 6.050 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102549532 554961064 /nfs/dbraw/zinc/96/10/64/554961064.db2.gz VINNVDSSNVRWHP-MIOXIQPJSA-N -1 1 611.075 6.926 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102550928 554961735 /nfs/dbraw/zinc/96/17/35/554961735.db2.gz BNOYMCOFZVUNPY-AHPONGEQSA-N -1 1 620.683 6.672 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102550928 554961737 /nfs/dbraw/zinc/96/17/37/554961737.db2.gz BNOYMCOFZVUNPY-AHPONGEQSA-N -1 1 620.683 6.672 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000102553869 554963504 /nfs/dbraw/zinc/96/35/04/554963504.db2.gz QNMGGBKRSFNCRR-CSVYKXDMSA-N -1 1 518.616 5.706 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102555002 554963726 /nfs/dbraw/zinc/96/37/26/554963726.db2.gz PLMMJNOPBRXDEX-FPRSLYQBSA-N -1 1 570.667 6.434 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102558059 554965602 /nfs/dbraw/zinc/96/56/02/554965602.db2.gz WBYWHIBBVMKTGF-XYGUOAIHSA-N -1 1 571.869 7.206 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102559394 554966926 /nfs/dbraw/zinc/96/69/26/554966926.db2.gz KYCFAHFYMJWKMC-CJJGVWJISA-N -1 1 510.615 6.219 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102560244 554967664 /nfs/dbraw/zinc/96/76/64/554967664.db2.gz MVMSKDYEQDGIJJ-XXAHXYPMSA-N -1 1 604.684 7.437 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102561074 554967947 /nfs/dbraw/zinc/96/79/47/554967947.db2.gz BNMMBKYWTOHHDV-TUKIDQFVSA-N -1 1 586.666 5.889 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102561027 554967995 /nfs/dbraw/zinc/96/79/95/554967995.db2.gz HYDFWZPIXGYWGM-XXASTYAFSA-N -1 1 556.640 6.099 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102561050 554968020 /nfs/dbraw/zinc/96/80/20/554968020.db2.gz CFTDZQANBPBEHM-HALAOQOWSA-N -1 1 500.551 5.694 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102561322 554968349 /nfs/dbraw/zinc/96/83/49/554968349.db2.gz GKFCYGSISOMEGX-IKZPYDRGSA-N -1 1 569.639 5.384 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102563521 554969154 /nfs/dbraw/zinc/96/91/54/554969154.db2.gz PAABTJQOSWTHBD-CGKJMNDRSA-N -1 1 530.577 5.784 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102563521 554969155 /nfs/dbraw/zinc/96/91/55/554969155.db2.gz PAABTJQOSWTHBD-CGKJMNDRSA-N -1 1 530.577 5.784 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102563502 554969162 /nfs/dbraw/zinc/96/91/62/554969162.db2.gz AHXZCISSIWCXCE-SBXHHDGASA-N -1 1 519.022 6.537 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102563502 554969163 /nfs/dbraw/zinc/96/91/63/554969163.db2.gz AHXZCISSIWCXCE-SBXHHDGASA-N -1 1 519.022 6.537 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102580511 554972211 /nfs/dbraw/zinc/97/22/11/554972211.db2.gz VBBPRKBXZBXELW-UUALVTFQSA-N -1 1 606.697 6.019 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102584194 554972752 /nfs/dbraw/zinc/97/27/52/554972752.db2.gz QHRHEBQCXVHLQN-HSZRJFAPSA-N -1 1 566.632 5.223 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102581834 554972838 /nfs/dbraw/zinc/97/28/38/554972838.db2.gz KAPDSUHUCHCXDB-XVTRYDTASA-N -1 1 539.613 5.375 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102581834 554972841 /nfs/dbraw/zinc/97/28/41/554972841.db2.gz KAPDSUHUCHCXDB-XVTRYDTASA-N -1 1 539.613 5.375 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102583693 554972865 /nfs/dbraw/zinc/97/28/65/554972865.db2.gz LARFBJZKZVJTET-GMBUILNLSA-N -1 1 516.550 5.394 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102583693 554972866 /nfs/dbraw/zinc/97/28/66/554972866.db2.gz LARFBJZKZVJTET-GMBUILNLSA-N -1 1 516.550 5.394 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102590442 554973786 /nfs/dbraw/zinc/97/37/86/554973786.db2.gz CDTDKIKXMVTYGJ-CJJGVWJISA-N -1 1 603.697 6.490 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102594680 554975694 /nfs/dbraw/zinc/97/56/94/554975694.db2.gz LFRPZBAZTLZEQP-BFLOGMOSSA-N -1 1 524.598 5.672 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102594680 554975695 /nfs/dbraw/zinc/97/56/95/554975695.db2.gz LFRPZBAZTLZEQP-BFLOGMOSSA-N -1 1 524.598 5.672 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102599023 554977493 /nfs/dbraw/zinc/97/74/93/554977493.db2.gz ZDHNJQJDHCTYJO-IUKMQXEJSA-N -1 1 587.679 5.545 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102601681 554977975 /nfs/dbraw/zinc/97/79/75/554977975.db2.gz SBDFHBPLNOGZTP-MIOXIQPJSA-N -1 1 626.687 6.029 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606140 554978778 /nfs/dbraw/zinc/97/87/78/554978778.db2.gz WDJFNRFVGKJLCP-MYYSRTQBSA-N -1 1 535.622 5.140 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606140 554978781 /nfs/dbraw/zinc/97/87/81/554978781.db2.gz WDJFNRFVGKJLCP-MYYSRTQBSA-N -1 1 535.622 5.140 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102610333 554980783 /nfs/dbraw/zinc/98/07/83/554980783.db2.gz VSMFVBKBTCOUAA-NXLSWJSLSA-N -1 1 573.652 5.237 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102609264 554980848 /nfs/dbraw/zinc/98/08/48/554980848.db2.gz YJDFTQYKTFCXTP-IUKMQXEJSA-N -1 1 605.669 5.766 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccnc2)cc1 ZINC000102614251 554984046 /nfs/dbraw/zinc/98/40/46/554984046.db2.gz AYCJFSPMBOYRJO-MRJHHRETSA-N -1 1 500.605 5.160 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000102614566 554984059 /nfs/dbraw/zinc/98/40/59/554984059.db2.gz AZKVQXXTGDGOGP-NHFXJNLRSA-N -1 1 502.832 5.893 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102615340 554984281 /nfs/dbraw/zinc/98/42/81/554984281.db2.gz JRTLDRGVCWHUEN-CZNAVJSXSA-N -1 1 620.152 7.005 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102615848 554984345 /nfs/dbraw/zinc/98/43/45/554984345.db2.gz DWBZJNOTACKMTQ-UUALVTFQSA-N -1 1 582.634 5.631 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000102624239 554987747 /nfs/dbraw/zinc/98/77/47/554987747.db2.gz YWBSVIGSQZSVEN-NHFXJNLRSA-N -1 1 513.384 5.148 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102624120 554987760 /nfs/dbraw/zinc/98/77/60/554987760.db2.gz LBMAEEKTBSEYBT-ZHHPLPSFSA-N -1 1 612.516 6.535 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102623331 554987769 /nfs/dbraw/zinc/98/77/69/554987769.db2.gz AEYJXOUBPIMJEN-NPJIAGGLSA-N -1 1 562.644 5.621 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(CC)cc3)sc2c1 ZINC000102650779 554995618 /nfs/dbraw/zinc/99/56/18/554995618.db2.gz JSLAWAMHMXCUGR-CZNAVJSXSA-N -1 1 542.613 5.655 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102651407 554995875 /nfs/dbraw/zinc/99/58/75/554995875.db2.gz BRTFTJCTAMQURM-WOOVEIMUSA-N -1 1 568.695 7.042 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102651006 554995917 /nfs/dbraw/zinc/99/59/17/554995917.db2.gz ZMAUQISYADBSRA-XLNMUAQOSA-N -1 1 547.976 5.808 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102651993 554996118 /nfs/dbraw/zinc/99/61/18/554996118.db2.gz DTLSHFFNFQUIQQ-AFSDHNFUSA-N -1 1 628.747 7.278 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102651652 554996266 /nfs/dbraw/zinc/99/62/66/554996266.db2.gz LVOZOFLAAJFTJN-WBMUNJTESA-N -1 1 589.670 5.928 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102652223 554996510 /nfs/dbraw/zinc/99/65/10/554996510.db2.gz IPAUEBUFQPGGIC-YMCWBSDSSA-N -1 1 565.420 6.148 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102652055 554996577 /nfs/dbraw/zinc/99/65/77/554996577.db2.gz ABRLQZFVXMEBCH-YMCWBSDSSA-N -1 1 565.420 6.148 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102653463 554997118 /nfs/dbraw/zinc/99/71/18/554997118.db2.gz DHXKNXVICQBAHG-UUALVTFQSA-N -1 1 598.677 6.151 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102653463 554997120 /nfs/dbraw/zinc/99/71/20/554997120.db2.gz DHXKNXVICQBAHG-UUALVTFQSA-N -1 1 598.677 6.151 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000102653627 554997174 /nfs/dbraw/zinc/99/71/74/554997174.db2.gz MGJDGFUTNMBWDF-UVDRRRQGSA-N -1 1 514.559 5.016 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)sc2c1 ZINC000102653120 554997194 /nfs/dbraw/zinc/99/71/94/554997194.db2.gz SANVYHBHTLXTHM-QNIVJUIWSA-N -1 1 512.587 5.645 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102653151 554997212 /nfs/dbraw/zinc/99/72/12/554997212.db2.gz BFAWFCZXXIBMCL-QMNXYOJKSA-N -1 1 598.721 7.070 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102653737 554997411 /nfs/dbraw/zinc/99/74/11/554997411.db2.gz KCGQOJOZVAIBLA-HALAOQOWSA-N -1 1 610.544 7.087 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102656164 554999140 /nfs/dbraw/zinc/99/91/40/554999140.db2.gz SZNBQTUBQVICCR-CZNAVJSXSA-N -1 1 620.680 5.379 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102657821 554999599 /nfs/dbraw/zinc/99/95/99/554999599.db2.gz GYPXYUOVEMRLPW-KNZGKXHUSA-N -1 1 516.550 5.394 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102657821 554999600 /nfs/dbraw/zinc/99/96/00/554999600.db2.gz GYPXYUOVEMRLPW-KNZGKXHUSA-N -1 1 516.550 5.394 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000102658869 554999804 /nfs/dbraw/zinc/99/98/04/554999804.db2.gz JVMTWIZMZVBYIA-JDDIYYEHSA-N -1 1 504.589 5.316 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102664024 555001154 /nfs/dbraw/zinc/00/11/54/555001154.db2.gz GITBJUKPICBQOH-ZHHPLPSFSA-N -1 1 534.977 5.356 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102663326 555001252 /nfs/dbraw/zinc/00/12/52/555001252.db2.gz KZFVDRUJXYUOAJ-XLNMUAQOSA-N -1 1 531.521 5.293 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102664028 555001259 /nfs/dbraw/zinc/00/12/59/555001259.db2.gz GITBJUKPICBQOH-AYWGPLOBSA-N -1 1 534.977 5.356 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000102665795 555001632 /nfs/dbraw/zinc/00/16/32/555001632.db2.gz OKBVGDJVMRLNSO-BJDFWYCCSA-N -1 1 502.379 5.103 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102677687 555004342 /nfs/dbraw/zinc/00/43/42/555004342.db2.gz OCIPVPXTHYZOLQ-LOOKCOSASA-N -1 1 634.751 6.546 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102699177 555012465 /nfs/dbraw/zinc/01/24/65/555012465.db2.gz NMSXRWANWOSLSQ-NXLSWJSLSA-N -1 1 518.566 5.641 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102699177 555012466 /nfs/dbraw/zinc/01/24/66/555012466.db2.gz NMSXRWANWOSLSQ-NXLSWJSLSA-N -1 1 518.566 5.641 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102701649 555013184 /nfs/dbraw/zinc/01/31/84/555013184.db2.gz KYNFAPBUWJPXCB-AYWGPLOBSA-N -1 1 502.661 6.844 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102702606 555013322 /nfs/dbraw/zinc/01/33/22/555013322.db2.gz WVOGIRCDXKFQRE-IUKMQXEJSA-N -1 1 533.049 6.926 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102702606 555013323 /nfs/dbraw/zinc/01/33/23/555013323.db2.gz WVOGIRCDXKFQRE-IUKMQXEJSA-N -1 1 533.049 6.926 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)ccc2OC)c1 ZINC000102704723 555013947 /nfs/dbraw/zinc/01/39/47/555013947.db2.gz NBLLOXGXARKEKF-NXLSWJSLSA-N -1 1 516.575 5.257 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102708944 555015819 /nfs/dbraw/zinc/01/58/19/555015819.db2.gz SVIVMSHLEJRRNW-NPJIAGGLSA-N -1 1 542.613 5.670 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102708944 555015822 /nfs/dbraw/zinc/01/58/22/555015822.db2.gz SVIVMSHLEJRRNW-NPJIAGGLSA-N -1 1 542.613 5.670 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102710380 555016451 /nfs/dbraw/zinc/01/64/51/555016451.db2.gz JKOPZSSXKXJOAY-NPJIAGGLSA-N -1 1 544.629 5.819 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102716237 555018920 /nfs/dbraw/zinc/01/89/20/555018920.db2.gz SQHIGWBEZBTIAS-ZHHPLPSFSA-N -1 1 533.005 5.925 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102717789 555019331 /nfs/dbraw/zinc/01/93/31/555019331.db2.gz LUFYCUVMUWGTMX-CZNAVJSXSA-N -1 1 528.630 6.282 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102719703 555019906 /nfs/dbraw/zinc/01/99/06/555019906.db2.gz CCZFDQRJWMZETB-NXLSWJSLSA-N -1 1 516.575 5.257 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102728198 555022553 /nfs/dbraw/zinc/02/25/53/555022553.db2.gz LASAKGODSKHIFQ-CJJGVWJISA-N -1 1 544.629 6.037 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102728332 555022768 /nfs/dbraw/zinc/02/27/68/555022768.db2.gz XHGUNLFLGXNPOU-NXLSWJSLSA-N -1 1 502.592 6.175 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102728332 555022770 /nfs/dbraw/zinc/02/27/70/555022770.db2.gz XHGUNLFLGXNPOU-NXLSWJSLSA-N -1 1 502.592 6.175 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102730035 555023295 /nfs/dbraw/zinc/02/32/95/555023295.db2.gz FELKMXGCFKWLON-SBXHHDGASA-N -1 1 502.567 6.023 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102730035 555023297 /nfs/dbraw/zinc/02/32/97/555023297.db2.gz FELKMXGCFKWLON-SBXHHDGASA-N -1 1 502.567 6.023 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102730181 555023570 /nfs/dbraw/zinc/02/35/70/555023570.db2.gz BFSHYSSWPFYOFP-NXLSWJSLSA-N -1 1 516.575 5.257 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102732565 555024053 /nfs/dbraw/zinc/02/40/53/555024053.db2.gz JASBROZHAALHAX-ZHHPLPSFSA-N -1 1 549.446 6.256 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102732565 555024054 /nfs/dbraw/zinc/02/40/54/555024054.db2.gz JASBROZHAALHAX-ZHHPLPSFSA-N -1 1 549.446 6.256 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102732630 555024064 /nfs/dbraw/zinc/02/40/64/555024064.db2.gz KMILJVMZQVRHNO-SBXHHDGASA-N -1 1 500.576 5.638 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102732567 555024092 /nfs/dbraw/zinc/02/40/92/555024092.db2.gz JASBROZHAALHAX-AYWGPLOBSA-N -1 1 549.446 6.256 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102732567 555024094 /nfs/dbraw/zinc/02/40/94/555024094.db2.gz JASBROZHAALHAX-AYWGPLOBSA-N -1 1 549.446 6.256 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102733464 555024485 /nfs/dbraw/zinc/02/44/85/555024485.db2.gz CVXZFCNSWDNFPD-AYWGPLOBSA-N -1 1 504.995 6.147 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102733464 555024488 /nfs/dbraw/zinc/02/44/88/555024488.db2.gz CVXZFCNSWDNFPD-AYWGPLOBSA-N -1 1 504.995 6.147 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102735047 555024927 /nfs/dbraw/zinc/02/49/27/555024927.db2.gz JRBLFYQWHACUAD-IUKMQXEJSA-N -1 1 546.601 5.265 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000102735571 555025839 /nfs/dbraw/zinc/02/58/39/555025839.db2.gz NZKYDUXURDSEDY-WATAJRNESA-N -1 1 588.685 7.655 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770803 555058149 /nfs/dbraw/zinc/05/81/49/555058149.db2.gz MYNPSRVRPGBLNR-WTPDXTQDSA-N -1 1 555.414 6.692 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000102770838 555058201 /nfs/dbraw/zinc/05/82/01/555058201.db2.gz NSTLULFUDMMLLY-ZTLVYLBESA-N -1 1 575.484 6.625 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102770991 555059024 /nfs/dbraw/zinc/05/90/24/555059024.db2.gz TVEJMXCEMCTENZ-ROBPHKHBSA-N -1 1 601.725 7.043 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102770991 555059026 /nfs/dbraw/zinc/05/90/26/555059026.db2.gz TVEJMXCEMCTENZ-ROBPHKHBSA-N -1 1 601.725 7.043 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102770952 555059100 /nfs/dbraw/zinc/05/91/00/555059100.db2.gz RANMIEHHWOVNED-FGEDTZIGSA-N -1 1 597.762 7.212 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102770952 555059101 /nfs/dbraw/zinc/05/91/01/555059101.db2.gz RANMIEHHWOVNED-FGEDTZIGSA-N -1 1 597.762 7.212 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102771049 555059288 /nfs/dbraw/zinc/05/92/88/555059288.db2.gz MBJZNLIDCLIYCQ-AIKCTZLLSA-N -1 1 517.006 6.208 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102771016 555059413 /nfs/dbraw/zinc/05/94/13/555059413.db2.gz VJMSMBROSDCHSE-WRPQUVRJSA-N -1 1 517.006 6.208 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102771019 555059491 /nfs/dbraw/zinc/05/94/91/555059491.db2.gz IPRDAECSNPLPKC-HALAOQOWSA-N -1 1 500.551 5.694 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102771143 555059706 /nfs/dbraw/zinc/05/97/06/555059706.db2.gz PHGPWOXZHLYLPG-WRPQUVRJSA-N -1 1 527.558 5.463 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102771125 555059728 /nfs/dbraw/zinc/05/97/28/555059728.db2.gz IGSAGWVPIMZPNS-NIOKHIIOSA-N -1 1 514.578 6.002 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771275 555060063 /nfs/dbraw/zinc/06/00/63/555060063.db2.gz LMIYFPDDGYERDB-XLNMUAQOSA-N -1 1 537.424 6.553 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102771328 555060448 /nfs/dbraw/zinc/06/04/48/555060448.db2.gz ADPNXSATEHZAJK-KWBQTAPJSA-N -1 1 531.033 6.516 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102856582 555088021 /nfs/dbraw/zinc/08/80/21/555088021.db2.gz VQXVDILTZBPLMR-GAPOMRBKSA-N -1 1 574.655 5.964 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102856940 555088314 /nfs/dbraw/zinc/08/83/14/555088314.db2.gz DZLDANQINPSPSS-NXLSWJSLSA-N -1 1 530.602 5.565 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102861482 555091631 /nfs/dbraw/zinc/09/16/31/555091631.db2.gz VBTHNENAXOPBLC-NXLSWJSLSA-N -1 1 500.576 5.638 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102863032 555092888 /nfs/dbraw/zinc/09/28/88/555092888.db2.gz MEICGQABHIGMKF-NXLSWJSLSA-N -1 1 500.576 5.557 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102867239 555096697 /nfs/dbraw/zinc/09/66/97/555096697.db2.gz KXUKOWRWRPGNAR-OFNYXUPYSA-N -1 1 556.640 6.043 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102867945 555097246 /nfs/dbraw/zinc/09/72/46/555097246.db2.gz BMCBXGUSHIPPNX-BGLRTBKGSA-N -1 1 591.085 6.697 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102867945 555097248 /nfs/dbraw/zinc/09/72/48/555097248.db2.gz BMCBXGUSHIPPNX-BGLRTBKGSA-N -1 1 591.085 6.697 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102868113 555097555 /nfs/dbraw/zinc/09/75/55/555097555.db2.gz CWNYWXMWKHZHJG-CZNAVJSXSA-N -1 1 544.629 5.901 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000102868477 555097853 /nfs/dbraw/zinc/09/78/53/555097853.db2.gz UXUCTMCKQMZBIH-FSISNWKMSA-N -1 1 607.482 6.031 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000102868477 555097856 /nfs/dbraw/zinc/09/78/56/555097856.db2.gz UXUCTMCKQMZBIH-FSISNWKMSA-N -1 1 607.482 6.031 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000102868474 555097901 /nfs/dbraw/zinc/09/79/01/555097901.db2.gz UXUCTMCKQMZBIH-WGQAXHKASA-N -1 1 607.482 6.031 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000102868474 555097903 /nfs/dbraw/zinc/09/79/03/555097903.db2.gz UXUCTMCKQMZBIH-WGQAXHKASA-N -1 1 607.482 6.031 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102869142 555098614 /nfs/dbraw/zinc/09/86/14/555098614.db2.gz PWOVAFUHCJHMPF-CGKJMNDRSA-N -1 1 514.578 5.948 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102869558 555099196 /nfs/dbraw/zinc/09/91/96/555099196.db2.gz XPCBWLLEHBDHQP-NXLSWJSLSA-N -1 1 510.974 5.696 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102871062 555101405 /nfs/dbraw/zinc/10/14/05/555101405.db2.gz NOHHXQCBCCYKQX-IUKMQXEJSA-N -1 1 574.611 5.028 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)ccc1O ZINC000102873548 555104068 /nfs/dbraw/zinc/10/40/68/555104068.db2.gz FNFNLZXDQDVGCR-NPJIAGGLSA-N -1 1 543.601 5.074 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)ccc1O ZINC000102873546 555104075 /nfs/dbraw/zinc/10/40/75/555104075.db2.gz FNFNLZXDQDVGCR-IUKMQXEJSA-N -1 1 543.601 5.074 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102874573 555104818 /nfs/dbraw/zinc/10/48/18/555104818.db2.gz JIIMQUALVLAFEQ-UVDRRRQGSA-N -1 1 530.602 5.565 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102874625 555104947 /nfs/dbraw/zinc/10/49/47/555104947.db2.gz GPOSVMFWDRDRDI-YDJIHCHBSA-N -1 1 561.443 5.878 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102877090 555106724 /nfs/dbraw/zinc/10/67/24/555106724.db2.gz SCWVRJULSSSSQR-AYWGPLOBSA-N -1 1 504.539 5.469 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102881456 555110201 /nfs/dbraw/zinc/11/02/01/555110201.db2.gz CIOLPXJGDCJMBR-ZHHPLPSFSA-N -1 1 550.564 5.096 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102882493 555110738 /nfs/dbraw/zinc/11/07/38/555110738.db2.gz JXTFJQRDGFLVNG-BUANBSPESA-N -1 1 515.547 5.456 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102882786 555111085 /nfs/dbraw/zinc/11/10/85/555111085.db2.gz PCKDKMBTSSBKBJ-NPJIAGGLSA-N -1 1 532.593 6.168 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102882786 555111086 /nfs/dbraw/zinc/11/10/86/555111086.db2.gz PCKDKMBTSSBKBJ-NPJIAGGLSA-N -1 1 532.593 6.168 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102883550 555112034 /nfs/dbraw/zinc/11/20/34/555112034.db2.gz NELUYDHZVSZAKH-FPRSLYQBSA-N -1 1 604.725 6.572 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102883550 555112037 /nfs/dbraw/zinc/11/20/37/555112037.db2.gz NELUYDHZVSZAKH-FPRSLYQBSA-N -1 1 604.725 6.572 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102883505 555112127 /nfs/dbraw/zinc/11/21/27/555112127.db2.gz PGAPNRIGGMSGDN-NPJIAGGLSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102883505 555112128 /nfs/dbraw/zinc/11/21/28/555112128.db2.gz PGAPNRIGGMSGDN-NPJIAGGLSA-N -1 1 546.601 5.347 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102883969 555112660 /nfs/dbraw/zinc/11/26/60/555112660.db2.gz CVMXMKXZPBYRQR-AYWGPLOBSA-N -1 1 569.422 6.009 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000102884627 555113863 /nfs/dbraw/zinc/11/38/63/555113863.db2.gz DBHLQGAQTNWJOV-ROBPHKHBSA-N -1 1 620.724 6.011 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000102884627 555113866 /nfs/dbraw/zinc/11/38/66/555113866.db2.gz DBHLQGAQTNWJOV-ROBPHKHBSA-N -1 1 620.724 6.011 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102884798 555114453 /nfs/dbraw/zinc/11/44/53/555114453.db2.gz RVRONKCYPLHIOQ-OFNYXUPYSA-N -1 1 556.640 5.962 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102884820 555114601 /nfs/dbraw/zinc/11/46/01/555114601.db2.gz UQDIHFJFKMIMQQ-VXJPNWOUSA-N -1 1 568.695 7.123 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102885045 555115113 /nfs/dbraw/zinc/11/51/13/555115113.db2.gz GTBDSYMWLLANMR-CZNAVJSXSA-N -1 1 577.058 6.526 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102886091 555116427 /nfs/dbraw/zinc/11/64/27/555116427.db2.gz LDMFZYRTXJWMSN-UUALVTFQSA-N -1 1 570.623 5.518 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102886106 555116586 /nfs/dbraw/zinc/11/65/86/555116586.db2.gz CXUOICULPXPQJR-XGHLFYEISA-N -1 1 554.624 5.649 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102887055 555117782 /nfs/dbraw/zinc/11/77/82/555117782.db2.gz DJXGXYZSAMDSNL-IQKFOVTFSA-N -1 1 584.694 6.880 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102887063 555117795 /nfs/dbraw/zinc/11/77/95/555117795.db2.gz JZJGRYSKRWGPNW-NXLSVDECSA-N -1 1 590.657 7.047 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000102887297 555118831 /nfs/dbraw/zinc/11/88/31/555118831.db2.gz YZPKENIGULFGEA-XVTRYDTASA-N -1 1 620.152 6.832 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102887301 555118849 /nfs/dbraw/zinc/11/88/49/555118849.db2.gz BBQMRYCDWAPUOX-NSOCNUKWSA-N -1 1 617.724 6.708 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000102887396 555119185 /nfs/dbraw/zinc/11/91/85/555119185.db2.gz OZTDYJQKQYADMJ-JRPVAJNPSA-N -1 1 528.586 5.350 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(CC)cc3)sc2c1 ZINC000102887505 555119617 /nfs/dbraw/zinc/11/96/17/555119617.db2.gz VUNABNJTMVLUIN-IKZPYDRGSA-N -1 1 540.641 6.207 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102887529 555119627 /nfs/dbraw/zinc/11/96/27/555119627.db2.gz IMBQIJCISUWLOK-PEHBIRLUSA-N -1 1 558.612 5.272 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102887681 555119857 /nfs/dbraw/zinc/11/98/57/555119857.db2.gz LSAJQMLXYKRABR-GRBPGWBESA-N -1 1 619.139 7.477 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102887681 555119859 /nfs/dbraw/zinc/11/98/59/555119859.db2.gz LSAJQMLXYKRABR-GRBPGWBESA-N -1 1 619.139 7.477 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102887800 555120144 /nfs/dbraw/zinc/12/01/44/555120144.db2.gz JLYOKVIJEMEGHU-KXDYMIPJSA-N -1 1 599.734 6.569 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102888041 555120461 /nfs/dbraw/zinc/12/04/61/555120461.db2.gz MABOUYRSTBPDQF-SBXHHDGASA-N -1 1 563.473 6.646 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102888041 555120465 /nfs/dbraw/zinc/12/04/65/555120465.db2.gz MABOUYRSTBPDQF-SBXHHDGASA-N -1 1 563.473 6.646 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102888259 555121170 /nfs/dbraw/zinc/12/11/70/555121170.db2.gz FWTOIUXJIIMMQG-BFLOGMOSSA-N -1 1 613.717 5.875 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102888736 555122097 /nfs/dbraw/zinc/12/20/97/555122097.db2.gz YRQQHAVJLJHLBP-FSDXSRJSSA-N -1 1 546.645 5.783 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102888910 555122534 /nfs/dbraw/zinc/12/25/34/555122534.db2.gz XRYOYJSRAFUQJC-CJJGVWJISA-N -1 1 556.596 5.128 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000102889568 555123735 /nfs/dbraw/zinc/12/37/35/555123735.db2.gz MOEWHYVMYSZBCK-OGHRCCBNSA-N -1 1 592.670 5.375 50 30 KKEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102889754 555124218 /nfs/dbraw/zinc/12/42/18/555124218.db2.gz KAFUPGWNMLNMOQ-HAQIDCBSSA-N -1 1 547.032 6.298 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102889754 555124220 /nfs/dbraw/zinc/12/42/20/555124220.db2.gz KAFUPGWNMLNMOQ-HAQIDCBSSA-N -1 1 547.032 6.298 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102889827 555124456 /nfs/dbraw/zinc/12/44/56/555124456.db2.gz PHRDDWPSSRJDNT-KNZGKXHUSA-N -1 1 516.550 5.394 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102889827 555124459 /nfs/dbraw/zinc/12/44/59/555124459.db2.gz PHRDDWPSSRJDNT-KNZGKXHUSA-N -1 1 516.550 5.394 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102890461 555125604 /nfs/dbraw/zinc/12/56/04/555125604.db2.gz UKKOBJPOODBOAY-NXLSVDECSA-N -1 1 633.166 7.867 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102890461 555125608 /nfs/dbraw/zinc/12/56/08/555125608.db2.gz UKKOBJPOODBOAY-NXLSVDECSA-N -1 1 633.166 7.867 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102890604 555125861 /nfs/dbraw/zinc/12/58/61/555125861.db2.gz QAPIOLNGDNHQKY-NXLSWJSLSA-N -1 1 593.455 5.855 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102890778 555126127 /nfs/dbraw/zinc/12/61/27/555126127.db2.gz MWKCKCAFSYPJDM-CZNAVJSXSA-N -1 1 528.630 6.201 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102890855 555126557 /nfs/dbraw/zinc/12/65/57/555126557.db2.gz DHPUYVJMFVPNBB-UJWLLDLUSA-N -1 1 572.639 5.580 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102891477 555127147 /nfs/dbraw/zinc/12/71/47/555127147.db2.gz FYKAOPJNFUYTGC-YMMFOPJESA-N -1 1 546.645 5.701 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102891648 555127386 /nfs/dbraw/zinc/12/73/86/555127386.db2.gz KNSZFCXTNBZHRW-SSELITHESA-N -1 1 542.613 5.659 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102891542 555127446 /nfs/dbraw/zinc/12/74/46/555127446.db2.gz PMPDUNJRHKAXAB-RXVNBYBTSA-N -1 1 556.640 5.880 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102892339 555128428 /nfs/dbraw/zinc/12/84/28/555128428.db2.gz URNKHSBUPCXBEN-WRPQUVRJSA-N -1 1 532.618 5.393 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102892338 555128474 /nfs/dbraw/zinc/12/84/74/555128474.db2.gz URNKHSBUPCXBEN-BBHOXHGRSA-N -1 1 532.618 5.393 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102892997 555129556 /nfs/dbraw/zinc/12/95/56/555129556.db2.gz YXDGQACNXSIEDZ-DZTJFIFISA-N -1 1 610.688 6.157 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102892997 555129558 /nfs/dbraw/zinc/12/95/58/555129558.db2.gz YXDGQACNXSIEDZ-DZTJFIFISA-N -1 1 610.688 6.157 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102892999 555129660 /nfs/dbraw/zinc/12/96/60/555129660.db2.gz YXDGQACNXSIEDZ-VMFRQMAUSA-N -1 1 610.688 6.157 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102892999 555129662 /nfs/dbraw/zinc/12/96/62/555129662.db2.gz YXDGQACNXSIEDZ-VMFRQMAUSA-N -1 1 610.688 6.157 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102893178 555130135 /nfs/dbraw/zinc/13/01/35/555130135.db2.gz LPJCGBSAWPYSKM-MDLGLMBTSA-N -1 1 618.711 7.224 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102893181 555130227 /nfs/dbraw/zinc/13/02/27/555130227.db2.gz LPJCGBSAWPYSKM-ZRUWLVFBSA-N -1 1 618.711 7.224 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102893695 555131457 /nfs/dbraw/zinc/13/14/57/555131457.db2.gz GNOXBHNFHVRHAE-ONQGDUAMSA-N -1 1 612.660 5.605 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102893859 555131688 /nfs/dbraw/zinc/13/16/88/555131688.db2.gz STVMCHPBRPUFIE-NXLSWJSLSA-N -1 1 563.473 6.646 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102893859 555131690 /nfs/dbraw/zinc/13/16/90/555131690.db2.gz STVMCHPBRPUFIE-NXLSWJSLSA-N -1 1 563.473 6.646 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000102894082 555131970 /nfs/dbraw/zinc/13/19/70/555131970.db2.gz GOYOUIDHQDFOHK-NHFXJNLRSA-N -1 1 510.980 5.409 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)sc2c1 ZINC000102894165 555132001 /nfs/dbraw/zinc/13/20/01/555132001.db2.gz GYHBRMFWTZADKJ-ZHHPLPSFSA-N -1 1 502.523 5.141 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)sc2c1 ZINC000102894165 555132003 /nfs/dbraw/zinc/13/20/03/555132003.db2.gz GYHBRMFWTZADKJ-ZHHPLPSFSA-N -1 1 502.523 5.141 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894466 555132461 /nfs/dbraw/zinc/13/24/61/555132461.db2.gz AZTXZJNFHMQUIO-UJWLLDLUSA-N -1 1 561.059 6.688 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894466 555132463 /nfs/dbraw/zinc/13/24/63/555132463.db2.gz AZTXZJNFHMQUIO-UJWLLDLUSA-N -1 1 561.059 6.688 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102894712 555132903 /nfs/dbraw/zinc/13/29/03/555132903.db2.gz HNJMTSZRYIGONN-NEMSTITPSA-N -1 1 576.671 5.613 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102894712 555132905 /nfs/dbraw/zinc/13/29/05/555132905.db2.gz HNJMTSZRYIGONN-NEMSTITPSA-N -1 1 576.671 5.613 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102894931 555133229 /nfs/dbraw/zinc/13/32/29/555133229.db2.gz HAKRXRLBKBWRLF-UZGIXAGNSA-N -1 1 598.721 6.988 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102894930 555133254 /nfs/dbraw/zinc/13/32/54/555133254.db2.gz HAKRXRLBKBWRLF-VGZNNGDKSA-N -1 1 598.721 6.988 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102895424 555134342 /nfs/dbraw/zinc/13/43/42/555134342.db2.gz FQQGDAFKVHBLNE-FZIYRNTBSA-N -1 1 620.724 6.156 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102895727 555134854 /nfs/dbraw/zinc/13/48/54/555134854.db2.gz ICFCGXWZFNCMMB-FLJNSMSWSA-N -1 1 619.139 7.477 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102896786 555136805 /nfs/dbraw/zinc/13/68/05/555136805.db2.gz OXADDQXORPTXFI-XXASTYAFSA-N -1 1 572.639 5.718 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102897196 555137471 /nfs/dbraw/zinc/13/74/71/555137471.db2.gz MMWRZLYIGBJROA-SSELITHESA-N -1 1 542.613 5.653 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102897429 555137869 /nfs/dbraw/zinc/13/78/69/555137869.db2.gz HUHSWABZFOOHEP-MEDZALOKSA-N -1 1 549.004 5.614 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102898254 555138379 /nfs/dbraw/zinc/13/83/79/555138379.db2.gz HWYPPSNSBGXLNK-WGQAXHKASA-N -1 1 533.005 5.908 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102899474 555139352 /nfs/dbraw/zinc/13/93/52/555139352.db2.gz SAEVUAAUPQMQLK-LODGOHBISA-N -1 1 613.761 6.877 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102899741 555139386 /nfs/dbraw/zinc/13/93/86/555139386.db2.gz BNINGGZXPYQADM-LOTNQUKISA-N -1 1 628.747 7.078 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102926125 555150304 /nfs/dbraw/zinc/15/03/04/555150304.db2.gz IAEGKQNLYNUREC-AYWGPLOBSA-N -1 1 536.631 5.790 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccs2)cc1 ZINC000102926170 555150681 /nfs/dbraw/zinc/15/06/81/555150681.db2.gz VUTVBDFXVIPBKM-WOOAAIBNSA-N -1 1 512.609 5.105 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102929722 555155789 /nfs/dbraw/zinc/15/57/89/555155789.db2.gz XNTVMBNJIBPMDK-MOBKVPTQSA-N -1 1 508.958 6.114 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102929865 555156173 /nfs/dbraw/zinc/15/61/73/555156173.db2.gz FTUMCWGDCNYJDC-NXLSWJSLSA-N -1 1 528.586 5.416 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102929865 555156174 /nfs/dbraw/zinc/15/61/74/555156174.db2.gz FTUMCWGDCNYJDC-NXLSWJSLSA-N -1 1 528.586 5.416 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102930561 555157283 /nfs/dbraw/zinc/15/72/83/555157283.db2.gz OLVONWKSHWUYRE-SBXHHDGASA-N -1 1 516.575 5.257 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102931557 555159238 /nfs/dbraw/zinc/15/92/38/555159238.db2.gz SQILUXOIXGMULL-AYWGPLOBSA-N -1 1 514.559 5.108 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102931557 555159240 /nfs/dbraw/zinc/15/92/40/555159240.db2.gz SQILUXOIXGMULL-AYWGPLOBSA-N -1 1 514.559 5.108 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102931901 555159369 /nfs/dbraw/zinc/15/93/69/555159369.db2.gz WYWCMNNQTJTMKN-MOBKVPTQSA-N -1 1 569.864 6.737 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102933107 555160227 /nfs/dbraw/zinc/16/02/27/555160227.db2.gz KFEAGRQIINKBPN-COUQNMRISA-N -1 1 518.566 5.696 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000100735756 571361142 /nfs/dbraw/zinc/36/11/42/571361142.db2.gz FGAKELFPMCSZEV-QHCPKHFHSA-N -1 1 566.632 5.135 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000103929024 571370079 /nfs/dbraw/zinc/37/00/79/571370079.db2.gz GCMOQPFZYQVVGK-NHFXJNLRSA-N -1 1 571.449 5.334 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000103928974 571370148 /nfs/dbraw/zinc/37/01/48/571370148.db2.gz ZFISHYDAVKQXPJ-NHFXJNLRSA-N -1 1 526.998 5.225 50 30 KKEAMM CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000150341873 571458326 /nfs/dbraw/zinc/45/83/26/571458326.db2.gz GZMIZPXGSWXSQL-UHFFFAOYSA-N -1 1 662.937 10.339 50 30 KKEAMM Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1O)C(=CNc1cccnc1)C(=O)C(=O)C3C(C)C)C(=CNc1cccnc1)C(=O)C(=O)C2C(C)C ZINC000150349513 571461509 /nfs/dbraw/zinc/46/15/09/571461509.db2.gz ITNHUUOKXSRBTQ-HJTNQMAYSA-N -1 1 670.766 8.093 50 30 biogenic KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150387091 571469805 /nfs/dbraw/zinc/46/98/05/571469805.db2.gz WQMWNXHUUDIZBP-TXTDGAROSA-N -1 1 663.749 6.555 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150418203 571486391 /nfs/dbraw/zinc/48/63/91/571486391.db2.gz IECSAWRQOZEICZ-WKUSSTJHSA-N -1 1 664.205 7.231 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000150422188 571488059 /nfs/dbraw/zinc/48/80/59/571488059.db2.gz PCXGNBGMNYVOGS-QZDFLZESSA-N -1 1 671.841 7.604 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000150426375 571490588 /nfs/dbraw/zinc/49/05/88/571490588.db2.gz RSWKTUBHJPCSQE-NXLSWJSLSA-N -1 1 636.107 5.668 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150426644 571490979 /nfs/dbraw/zinc/49/09/79/571490979.db2.gz MWQIIKDOJYSFOA-QMDVFYPZSA-N -1 1 649.750 6.720 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCCC)c(OC)c2)nc1C ZINC000150432182 571494143 /nfs/dbraw/zinc/49/41/43/571494143.db2.gz GSRAPVXZKJQMRM-LJAQVGFWSA-N -1 1 648.778 7.334 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000150435495 571495500 /nfs/dbraw/zinc/49/55/00/571495500.db2.gz DAGLJGLTWUUADW-HTDBSKDNSA-N -1 1 726.276 8.411 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000150435533 571495515 /nfs/dbraw/zinc/49/55/15/571495515.db2.gz LOSQQCCTQRVVIX-DNPZSINUSA-N -1 1 709.821 7.897 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000150435621 571495607 /nfs/dbraw/zinc/49/56/07/571495607.db2.gz RXPCOCGRINZVLD-HYVCFMKYSA-N -1 1 640.714 6.166 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000150435621 571495609 /nfs/dbraw/zinc/49/56/09/571495609.db2.gz RXPCOCGRINZVLD-HYVCFMKYSA-N -1 1 640.714 6.166 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000150435675 571495818 /nfs/dbraw/zinc/49/58/18/571495818.db2.gz HVHKVIAFIOCFPO-XSYNSRRPSA-N -1 1 648.737 7.232 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000150435666 571495896 /nfs/dbraw/zinc/49/58/96/571495896.db2.gz GSOBFAFMGBUVGA-VDKPZLLLSA-N -1 1 636.701 7.363 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000150435666 571495897 /nfs/dbraw/zinc/49/58/97/571495897.db2.gz GSOBFAFMGBUVGA-VDKPZLLLSA-N -1 1 636.701 7.363 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000150439712 571497526 /nfs/dbraw/zinc/49/75/26/571497526.db2.gz UCYRZWYTLNYIBE-UGQRDJPYSA-N -1 1 691.831 7.758 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000150439916 571497587 /nfs/dbraw/zinc/49/75/87/571497587.db2.gz VYFRXGUGTUNNRV-QCRSBAEDSA-N -1 1 726.276 8.411 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445225 571500107 /nfs/dbraw/zinc/50/01/07/571500107.db2.gz CIXDOCCDZHMTLZ-VGZNNGDKSA-N -1 1 654.741 6.556 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445225 571500110 /nfs/dbraw/zinc/50/01/10/571500110.db2.gz CIXDOCCDZHMTLZ-VGZNNGDKSA-N -1 1 654.741 6.556 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445307 571500498 /nfs/dbraw/zinc/50/04/98/571500498.db2.gz XQWYNSVFGAVIIY-WGGXKBPPSA-N -1 1 656.713 6.003 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000150445472 571500505 /nfs/dbraw/zinc/50/05/05/571500505.db2.gz XTVCFUUUUOBNOQ-ZORLYMSLSA-N -1 1 644.746 7.060 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000150445472 571500507 /nfs/dbraw/zinc/50/05/07/571500507.db2.gz XTVCFUUUUOBNOQ-ZORLYMSLSA-N -1 1 644.746 7.060 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150445616 571500633 /nfs/dbraw/zinc/50/06/33/571500633.db2.gz NOTAMKLKMUQBEA-UUALVTFQSA-N -1 1 644.702 5.778 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445843 571500779 /nfs/dbraw/zinc/50/07/79/571500779.db2.gz OFZMUGYCGMCRGQ-QBCYBHDASA-N -1 1 662.233 8.003 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150454001 571503759 /nfs/dbraw/zinc/50/37/59/571503759.db2.gz HISKGDICXHCIRS-CJNZMNDESA-N -1 1 697.838 8.512 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457088 571504697 /nfs/dbraw/zinc/50/46/97/571504697.db2.gz LWZQMYQLJRPHKJ-HWTUVFLMSA-N -1 1 659.761 6.883 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150457680 571504898 /nfs/dbraw/zinc/50/48/98/571504898.db2.gz HIBLOLNHIVPKHV-FPRSLYQBSA-N -1 1 682.651 8.266 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150457685 571504982 /nfs/dbraw/zinc/50/49/82/571504982.db2.gz HIBLOLNHIVPKHV-XKNZNLGKSA-N -1 1 682.651 8.266 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457537 571505042 /nfs/dbraw/zinc/50/50/42/571505042.db2.gz ZXSIOKUULPFQPW-VGZNNGDKSA-N -1 1 675.804 7.497 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150457806 571505320 /nfs/dbraw/zinc/50/53/20/571505320.db2.gz NQMFODSZYHMXAP-JCFDXWILSA-N -1 1 634.710 6.898 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457825 571505360 /nfs/dbraw/zinc/50/53/60/571505360.db2.gz NGDBHKLVKGCDLV-LHKMDIPOSA-N -1 1 678.232 7.621 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150458714 571505540 /nfs/dbraw/zinc/50/55/40/571505540.db2.gz CSMVLPGZCSFUOR-WENCHWOGSA-N -1 1 655.798 7.052 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150459180 571505713 /nfs/dbraw/zinc/50/57/13/571505713.db2.gz HGKKTZNKTYTPJK-JVJOXMINSA-N -1 1 634.179 7.222 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150460274 571505859 /nfs/dbraw/zinc/50/58/59/571505859.db2.gz JIBTYEHTTBGWEJ-QJGFIUGVSA-N -1 1 646.762 6.568 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150460274 571505860 /nfs/dbraw/zinc/50/58/60/571505860.db2.gz JIBTYEHTTBGWEJ-QJGFIUGVSA-N -1 1 646.762 6.568 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150461135 571506390 /nfs/dbraw/zinc/50/63/90/571506390.db2.gz FEIIJYJUZCVHIQ-RIEKNRFYSA-N -1 1 689.831 7.887 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463357 571507247 /nfs/dbraw/zinc/50/72/47/571507247.db2.gz ZZKHMJFNQCFEHC-JNYBUSFRSA-N -1 1 647.778 7.498 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150463845 571507431 /nfs/dbraw/zinc/50/74/31/571507431.db2.gz FWSCFIOLGYGWHX-HTDBSKDNSA-N -1 1 693.847 8.121 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150463847 571507534 /nfs/dbraw/zinc/50/75/34/571507534.db2.gz FWSCFIOLGYGWHX-JOZOHXTNSA-N -1 1 693.847 8.121 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150467211 571508069 /nfs/dbraw/zinc/50/80/69/571508069.db2.gz UAMJXCQTGNPPDF-SZYGQJGOSA-N -1 1 695.819 7.569 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150466721 571508074 /nfs/dbraw/zinc/50/80/74/571508074.db2.gz NDVKOHRAFCYAJZ-PZBBWXJNSA-N -1 1 632.738 7.450 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150471603 571509662 /nfs/dbraw/zinc/50/96/62/571509662.db2.gz ZBTBGLGJEGZDSE-GBIFRDBCSA-N -1 1 710.661 8.050 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000150472711 571510144 /nfs/dbraw/zinc/51/01/44/571510144.db2.gz JVGWSARPEKHLOS-GMBUILNLSA-N -1 1 628.534 7.226 50 30 KKEAMM Cc1cccc(NC=C2C(=O)C(=O)C(C(C)C)c3cc(C)c(-c4c(C)cc5c(c4O)C(=CNc4cccc(C)c4C)C(=O)C(=O)C5C(C)C)c([O-])c32)c1C ZINC000150473978 571510382 /nfs/dbraw/zinc/51/03/82/571510382.db2.gz CATWIKIREQNSGK-CDSIFPFTSA-N -1 1 724.898 10.537 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150475832 571510904 /nfs/dbraw/zinc/51/09/04/571510904.db2.gz LAOGLNRQSDBICE-XXAHXYPMSA-N -1 1 740.731 9.055 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150476324 571510912 /nfs/dbraw/zinc/51/09/12/571510912.db2.gz HSXAVPDVGAGPRN-HWTUVFLMSA-N -1 1 696.678 8.512 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150477249 571511253 /nfs/dbraw/zinc/51/12/53/571511253.db2.gz QNALETOPSUWILV-QMMFTLRZSA-N -1 1 651.766 7.170 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150478127 571511424 /nfs/dbraw/zinc/51/14/24/571511424.db2.gz RKCLOGHTGKCVHK-DFXXOVSGSA-N -1 1 680.204 7.069 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150479741 571511956 /nfs/dbraw/zinc/51/19/56/571511956.db2.gz AWMGHMIZEHUAPM-TXTDGAROSA-N -1 1 647.750 6.936 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150481334 571512566 /nfs/dbraw/zinc/51/25/66/571512566.db2.gz ZUPKBPIDNWZANI-DFXXOVSGSA-N -1 1 664.205 7.450 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150482345 571513137 /nfs/dbraw/zinc/51/31/37/571513137.db2.gz ZJSODRHOELEOHJ-DFXXOVSGSA-N -1 1 680.204 7.069 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150482350 571513147 /nfs/dbraw/zinc/51/31/47/571513147.db2.gz ZJSODRHOELEOHJ-TXTDGAROSA-N -1 1 680.204 7.069 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000150482758 571513426 /nfs/dbraw/zinc/51/34/26/571513426.db2.gz KUBGYVYEIYHQKD-MUUNZHRXSA-N -1 1 644.149 8.507 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150484749 571515123 /nfs/dbraw/zinc/51/51/23/571515123.db2.gz BXDWTPNMTWWBIQ-CJJGVWJISA-N -1 1 634.135 6.446 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000150484878 571515485 /nfs/dbraw/zinc/51/54/85/571515485.db2.gz GKZPVEVDUNHMNT-WGQAXHKASA-N -1 1 644.989 7.740 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150485501 571515882 /nfs/dbraw/zinc/51/58/82/571515882.db2.gz VCUUNFCHLULILX-WJOKGBTCSA-N -1 1 704.899 9.377 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150486759 571516445 /nfs/dbraw/zinc/51/64/45/571516445.db2.gz OFJQFMSNVJIRTN-XXAHXYPMSA-N -1 1 716.668 8.666 50 30 KKEAMM COCCN1C(=O)/C(=C/c2cc(Br)cc(I)c2[O-])SC1=Nc1ccccc1 ZINC000252603911 572267658 /nfs/dbraw/zinc/26/76/58/572267658.db2.gz FUHMMECVYBZMJU-FIMHLPJISA-N -1 1 559.223 5.010 50 30 KKEAMM CCCCN(CCCC)c1nc(=NN=Cc2cc(Br)cc(Br)c2[O-])nc(Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000252616608 572268747 /nfs/dbraw/zinc/26/87/47/572268747.db2.gz KBQOVAPEXBWKTR-UHFFFAOYSA-N -1 1 636.349 6.607 50 30 KKEAMM O=C([O-])c1ccc(-c2ccc(CN=Nc3nc(Nc4ccc([N+](=O)[O-])cc4)nc(N4CCCCCC4)n3)o2)cc1 ZINC000252623240 572269955 /nfs/dbraw/zinc/26/99/55/572269955.db2.gz ONALEAWQQAEGPY-UHFFFAOYSA-N -1 1 542.556 5.308 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1 ZINC000253406876 572286363 /nfs/dbraw/zinc/28/63/63/572286363.db2.gz JJSVMLBUBJEKGD-DEOSSOPVSA-N -1 1 547.047 7.999 50 30 KKEAMM CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](O)CO)OC(=O)CCCCCCCCC ZINC000102191134 1069701246 /nfs/dbraw/zinc/70/12/46/1069701246.db2.gz IOLZSQRFJBMYSU-BJKOFHAPSA-N -1 1 554.658 5.210 50 30 KKEAMM O=C1/C(=C\c2cc(Br)cc(Br)c2[O-])CC/C1=C/c1cc(Br)cc(Br)c1O ZINC000097983628 1069796621 /nfs/dbraw/zinc/79/66/21/1069796621.db2.gz KNTODSPKTQNBLZ-UIYSNZQUSA-N -1 1 607.918 6.978 50 30 KKEAMM COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc([O-])c(Cl)c2)CC(=O)O3)C1=O ZINC000524729841 1069827841 /nfs/dbraw/zinc/82/78/41/1069827841.db2.gz LPJMIZPGSARGKF-CUOULEQJSA-N -1 1 508.910 5.129 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000003142898 1069856507 /nfs/dbraw/zinc/85/65/07/1069856507.db2.gz ZBGTZCFMAZTFMP-UHFFFAOYSA-N -1 1 516.478 6.399 50 30 KKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cccs3)cc2)cc1 ZINC000102970294 1071055031 /nfs/dbraw/zinc/05/50/31/1071055031.db2.gz MKSXGDOUWDZPHB-AQTBWJFISA-N -1 1 525.655 6.606 50 30 KKEAMM O=C(N=C1N=C2C=CC=CN2Cc2ccccc21)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000263622507 1071153743 /nfs/dbraw/zinc/15/37/43/1071153743.db2.gz NWTGURGHJWPEDQ-UHFFFAOYSA-N -1 1 536.535 5.391 50 30 KKEAMM O=[N+]([O-])c1ccc(N=NC=CCc2ccccc2[N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000886005346 1071314840 /nfs/dbraw/zinc/31/48/40/1071314840.db2.gz VPTIROPITLOWSE-GFXYALIASA-N -1 1 501.908 5.068 50 30 KKEAMM O=C(N=C1N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000254287969 1072843442 /nfs/dbraw/zinc/84/34/42/1072843442.db2.gz POOAMAVLIMZVQF-UHFFFAOYSA-N -1 1 570.980 5.957 50 30 KKEAMM COc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3ccc(-c4ccc(F)cc4)o3)c([N+](=O)[O-])c2)cc1 ZINC000254290352 1072843789 /nfs/dbraw/zinc/84/37/89/1072843789.db2.gz MYZCHRHKJFQVDI-UHFFFAOYSA-N -1 1 510.503 5.249 50 30 KKEAMM COc1ccc([N-]S(=O)(=O)c2cc(N=Cc3ccc(-c4ccccc4)cc3)ccc2N2CCCCC2)cc1 ZINC000254411566 1072854473 /nfs/dbraw/zinc/85/44/73/1072854473.db2.gz OSDZHJVAICPVND-UHFFFAOYSA-N -1 1 525.674 6.904 50 30 KKEAMM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(N=NCc2cn(-c3ccccc3)nc2-c2cccs2)c([N+](=O)[O-])c1 ZINC000254487821 1072858323 /nfs/dbraw/zinc/85/83/23/1072858323.db2.gz MLNPHQJWZTUCBJ-UHFFFAOYSA-N -1 1 588.627 5.454 50 30 KKEAMM COC(=O)c1ccc(COc2ccccc2CN=Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 ZINC000254532024 1072862887 /nfs/dbraw/zinc/86/28/87/1072862887.db2.gz SPAZVCXEKWZQRH-UHFFFAOYSA-N -1 1 590.614 5.216 50 30 KKEAMM COc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3ccc(OC(F)F)cc3OC(F)F)c([N+](=O)[O-])c2)cc1 ZINC000254770699 1072878516 /nfs/dbraw/zinc/87/85/16/1072878516.db2.gz FJYXVMWNOROLAB-UHFFFAOYSA-N -1 1 558.466 5.053 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000000631106 551505019 /nfs/dbraw/zinc/50/50/19/551505019.db2.gz FNQCZVSDSCBUES-QFIPXVFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000000631368 551505123 /nfs/dbraw/zinc/50/51/23/551505123.db2.gz ORGRCOUWMCHZCD-IBGZPJMESA-N -1 1 512.971 5.073 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000000633325 551505629 /nfs/dbraw/zinc/50/56/29/551505629.db2.gz UUQDUTKUWVNSJG-XMMPIXPASA-N -1 1 513.575 5.820 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000000702931 551529796 /nfs/dbraw/zinc/52/97/96/551529796.db2.gz QMQFVLSPXSPSLS-FQEVSTJZSA-N -1 1 527.385 6.490 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000000702934 551529920 /nfs/dbraw/zinc/52/99/20/551529920.db2.gz VXLQDMURVMMGME-HXUWFJFHSA-N -1 1 537.391 5.946 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000000703142 551530627 /nfs/dbraw/zinc/53/06/27/551530627.db2.gz YVWZJIHBSZULEM-SANMLTNESA-N -1 1 556.596 6.241 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000000703142 551530629 /nfs/dbraw/zinc/53/06/29/551530629.db2.gz YVWZJIHBSZULEM-SANMLTNESA-N -1 1 556.596 6.241 50 30 KKEAMM COc1ccc(OC)c([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)c1 ZINC000000959830 551590053 /nfs/dbraw/zinc/59/00/53/551590053.db2.gz GAUUCAOCMOUXDF-NRFANRHFSA-N -1 1 510.015 5.297 50 30 KKEAMM COc1ccc(OC)c([C@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000959779 551590128 /nfs/dbraw/zinc/59/01/28/551590128.db2.gz LVSBXNOLPKGQDM-JOCHJYFZSA-N -1 1 503.624 5.280 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001035429 551598551 /nfs/dbraw/zinc/59/85/51/551598551.db2.gz CSCWVRGQKLMHMC-NRFANRHFSA-N -1 1 508.043 5.925 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000001055452 551600070 /nfs/dbraw/zinc/60/00/70/551600070.db2.gz UZUHWNUJOCJPJO-IBGZPJMESA-N -1 1 514.719 5.189 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243789 551631237 /nfs/dbraw/zinc/63/12/37/551631237.db2.gz SEZWZILQHINOLR-URAOTHONSA-N -1 1 542.563 5.378 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1OC ZINC000001413402 551665468 /nfs/dbraw/zinc/66/54/68/551665468.db2.gz OTWUBZZULRYWKJ-QFIPXVFZSA-N -1 1 506.967 5.750 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1OC ZINC000001413402 551665469 /nfs/dbraw/zinc/66/54/69/551665469.db2.gz OTWUBZZULRYWKJ-QFIPXVFZSA-N -1 1 506.967 5.750 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000001450343 551675339 /nfs/dbraw/zinc/67/53/39/551675339.db2.gz FBHAFASLLPZZCC-RUZDIDTESA-N -1 1 530.602 5.804 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000001451081 551675685 /nfs/dbraw/zinc/67/56/85/551675685.db2.gz QQBIHKWFXHYNHC-DEOSSOPVSA-N -1 1 518.591 5.950 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001451413 551676007 /nfs/dbraw/zinc/67/60/07/551676007.db2.gz MRYWHYXUMWLBHH-AREMUKBSSA-N -1 1 544.629 6.058 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451428 551676021 /nfs/dbraw/zinc/67/60/21/551676021.db2.gz OOPCMSBZBKIBSG-VWLOTQADSA-N -1 1 544.629 5.976 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000001451419 551676074 /nfs/dbraw/zinc/67/60/74/551676074.db2.gz QHMZDNVKJXCZKS-RUZDIDTESA-N -1 1 530.602 5.722 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000001451984 551676381 /nfs/dbraw/zinc/67/63/81/551676381.db2.gz JCCUGDCWQJOWOU-DEOSSOPVSA-N -1 1 516.575 5.413 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000001458644 551677363 /nfs/dbraw/zinc/67/73/63/551677363.db2.gz FZVWIXXDDKNVIQ-QGZVFWFLSA-N -1 1 547.814 5.437 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001480152 551681534 /nfs/dbraw/zinc/68/15/34/551681534.db2.gz LBIORWHJBGRFHL-QHCPKHFHSA-N -1 1 536.993 5.758 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001480610 551681547 /nfs/dbraw/zinc/68/15/47/551681547.db2.gz DYPROMHWCBPBNU-RUZDIDTESA-N -1 1 544.629 6.030 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000001479966 551681591 /nfs/dbraw/zinc/68/15/91/551681591.db2.gz NOHBGVSDNYXYFL-OAQYLSRUSA-N -1 1 523.408 6.360 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480825 551681859 /nfs/dbraw/zinc/68/18/59/551681859.db2.gz QRSBIROMISIEJZ-RUZDIDTESA-N -1 1 530.602 5.804 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480824 551681896 /nfs/dbraw/zinc/68/18/96/551681896.db2.gz QRSBIROMISIEJZ-VWLOTQADSA-N -1 1 530.602 5.804 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001480877 551682210 /nfs/dbraw/zinc/68/22/10/551682210.db2.gz HOMBCLAVUIDHNW-HSZRJFAPSA-N -1 1 534.565 5.634 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(Br)c1)c1ccc(Br)cc1 ZINC000001481236 551682321 /nfs/dbraw/zinc/68/23/21/551682321.db2.gz PTAYNRRUSPDBLB-INIZCTEOSA-N -1 1 520.202 5.451 50 30 KKEAMM CCCCCCCCn1c2ccccc2nc1N=Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001779632 551698145 /nfs/dbraw/zinc/69/81/45/551698145.db2.gz ZPFAHBIJRXCVTF-UHFFFAOYSA-N -1 1 502.684 7.257 50 30 KKEAMM COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(Br)c(Br)c1[O-] ZINC000002062488 551743516 /nfs/dbraw/zinc/74/35/16/551743516.db2.gz UGSRYMZZXIZZJP-XMMPIXPASA-N -1 1 557.282 7.389 50 30 KKEAMM COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(Br)c(Br)c1[O-] ZINC000002062489 551743552 /nfs/dbraw/zinc/74/35/52/551743552.db2.gz UGSRYMZZXIZZJP-DEOSSOPVSA-N -1 1 557.282 7.389 50 30 KKEAMM CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)c(Br)c(Br)c1[O-] ZINC000002141866 551774941 /nfs/dbraw/zinc/77/49/41/551774941.db2.gz SJANIYDDBNTBRM-LQHOMPMXSA-N -1 1 556.276 5.566 50 30 KKEAMM CCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000002259401 551803764 /nfs/dbraw/zinc/80/37/64/551803764.db2.gz MKUNYHIAHIKVBM-JBOQNHBVSA-N -1 1 528.649 6.486 50 30 KKEAMM COc1ccc([C@H]2c3c4nc(-c5ccc6ccccc6c5[O-])nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002415947 552114841 /nfs/dbraw/zinc/11/48/41/552114841.db2.gz JGFKOPORNSXBCF-RUZDIDTESA-N -1 1 548.599 5.835 50 30 KKEAMM O=C(c1cccs1)N1CCN(c2ccc(/N=C/c3cc(Cc4ccccc4)cc(Br)c3[O-])cc2)CC1 ZINC000002592940 552133003 /nfs/dbraw/zinc/13/30/03/552133003.db2.gz ORCRAYFDVZCOQU-AJBULDERSA-N -1 1 560.517 6.520 50 30 KKEAMM O=C1CCCC2=C1[C@H](c1cccc(Br)c1)c1c(=O)[n-]c(SCc3ccccc3Cl)nc1N2 ZINC000002719281 552163615 /nfs/dbraw/zinc/16/36/15/552163615.db2.gz VBNDLLUQEBMWJB-IBGZPJMESA-N -1 1 528.859 6.455 50 30 KKEAMM CCCCCCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1=O ZINC000003032025 552268185 /nfs/dbraw/zinc/26/81/85/552268185.db2.gz NXDCCGQAJKQLIK-UHFFFAOYSA-N -1 1 548.503 5.206 50 30 KKEAMM Cc1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c1 ZINC000003092050 552286937 /nfs/dbraw/zinc/28/69/37/552286937.db2.gz FOMXBIQCAZYWSA-BHGWPJFGSA-N -1 1 533.163 6.627 50 30 KKEAMM Cc1ccc2nc(-c3cc(/N=C/c4cc(Cl)cc(I)c4O)ccc3[O-])oc2c1 ZINC000003192845 552302638 /nfs/dbraw/zinc/30/26/38/552302638.db2.gz JWCBAPZTWGYMTB-YSURURNPSA-N -1 1 504.711 6.223 50 30 KKEAMM CCCCCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc(C)c(C)cc1C)c1ccccc21 ZINC000003277196 552334383 /nfs/dbraw/zinc/33/43/83/552334383.db2.gz LUXYNCDYHDKDKG-UHFFFAOYSA-N -1 1 535.706 8.138 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccc(O)cc1 ZINC000004405004 552459534 /nfs/dbraw/zinc/45/95/34/552459534.db2.gz ZDIIYOJEXWCIFY-MHZLTWQESA-N -1 1 591.670 7.218 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000004618743 552469222 /nfs/dbraw/zinc/46/92/22/552469222.db2.gz VRQJMAFWZJYLJT-GHRAFVERSA-N -1 1 567.642 6.658 50 30 KKEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc(F)cc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793391 552485312 /nfs/dbraw/zinc/48/53/12/552485312.db2.gz UXTDAJMTQZXKME-NRFANRHFSA-N -1 1 510.034 6.364 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000005355340 552498672 /nfs/dbraw/zinc/49/86/72/552498672.db2.gz BGRHDNBMPHXXDE-VWLOTQADSA-N -1 1 562.688 6.632 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000005355767 552498880 /nfs/dbraw/zinc/49/88/80/552498880.db2.gz PQNKSDPCPCKJGW-IBGZPJMESA-N -1 1 531.417 6.026 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355969 552499024 /nfs/dbraw/zinc/49/90/24/552499024.db2.gz RGVSBILKJOAWPU-QHCPKHFHSA-N -1 1 534.634 5.898 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355969 552499026 /nfs/dbraw/zinc/49/90/26/552499026.db2.gz RGVSBILKJOAWPU-QHCPKHFHSA-N -1 1 534.634 5.898 50 30 KKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000005357212 552499186 /nfs/dbraw/zinc/49/91/86/552499186.db2.gz BTNBEKOMQNTTSR-QHCPKHFHSA-N -1 1 532.618 5.593 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000005357212 552499188 /nfs/dbraw/zinc/49/91/88/552499188.db2.gz BTNBEKOMQNTTSR-QHCPKHFHSA-N -1 1 532.618 5.593 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000005357069 552499324 /nfs/dbraw/zinc/49/93/24/552499324.db2.gz LOLVDACRJBULKH-RUZDIDTESA-N -1 1 560.672 6.408 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000005357188 552499408 /nfs/dbraw/zinc/49/94/08/552499408.db2.gz DRMWHLXMODOXMZ-QFIPXVFZSA-N -1 1 518.591 5.203 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000005918999 552511970 /nfs/dbraw/zinc/51/19/70/552511970.db2.gz PDAYZJYLJWAXEU-HSZRJFAPSA-N -1 1 566.632 5.135 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000005919032 552511975 /nfs/dbraw/zinc/51/19/75/552511975.db2.gz NDRQCXFLXLLRHD-OAQYLSRUSA-N -1 1 524.570 5.257 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)c(C)c1 ZINC000005919120 552512282 /nfs/dbraw/zinc/51/22/82/552512282.db2.gz NFYUGKOCLDNTME-QFIPXVFZSA-N -1 1 538.597 5.647 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000005919094 552512306 /nfs/dbraw/zinc/51/23/06/552512306.db2.gz NDRQCXFLXLLRHD-NRFANRHFSA-N -1 1 524.570 5.257 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000005919752 552512454 /nfs/dbraw/zinc/51/24/54/552512454.db2.gz PULSUVPUEGLVNU-JOCHJYFZSA-N -1 1 553.036 5.938 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000005927762 552513109 /nfs/dbraw/zinc/51/31/09/552513109.db2.gz JJCWGDOGMGWAOV-DEOSSOPVSA-N -1 1 548.661 6.242 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000006143550 552545147 /nfs/dbraw/zinc/54/51/47/552545147.db2.gz LBPOFPJNLJDILH-VWLOTQADSA-N -1 1 576.627 5.512 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000006143550 552545148 /nfs/dbraw/zinc/54/51/48/552545148.db2.gz LBPOFPJNLJDILH-VWLOTQADSA-N -1 1 576.627 5.512 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccc(Cl)cc1 ZINC000008383393 552986481 /nfs/dbraw/zinc/98/64/81/552986481.db2.gz DJMZFFHPMDLWAK-MHZLTWQESA-N -1 1 610.116 8.166 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1O ZINC000008383977 552988267 /nfs/dbraw/zinc/98/82/67/552988267.db2.gz MXHGOAZWYOSURR-AREMUKBSSA-N -1 1 599.690 6.772 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccs3)s2)cc1 ZINC000008383967 552988273 /nfs/dbraw/zinc/98/82/73/552988273.db2.gz OEDOEQHUEWENLO-QFIPXVFZSA-N -1 1 545.667 6.729 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(N(C)C)cc3)s2)cc1 ZINC000008384023 552988715 /nfs/dbraw/zinc/98/87/15/552988715.db2.gz LOHKNIYOWYKEOM-AREMUKBSSA-N -1 1 582.707 6.734 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccccc3F)s2)cc1 ZINC000008384028 552988758 /nfs/dbraw/zinc/98/87/58/552988758.db2.gz YYJHFDVMNJONQW-XMMPIXPASA-N -1 1 557.628 6.807 50 30 KKEAMM [O-]c1c(I)cc(I)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000008427470 553019923 /nfs/dbraw/zinc/01/99/23/553019923.db2.gz DCNJOYZTXDMTQO-DHRITJCHSA-N -1 1 649.234 5.720 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000008440516 553037840 /nfs/dbraw/zinc/03/78/40/553037840.db2.gz ZTXAKGRTQNUERN-FQEVSTJZSA-N -1 1 528.428 5.571 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000008441169 553039747 /nfs/dbraw/zinc/03/97/47/553039747.db2.gz LWLPAUIRAUZKMA-QHCPKHFHSA-N -1 1 514.559 5.748 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(Br)c1 ZINC000008441208 553039768 /nfs/dbraw/zinc/03/97/68/553039768.db2.gz MBNCAZUTZUXXGG-HSZRJFAPSA-N -1 1 604.507 7.122 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000008441157 553039779 /nfs/dbraw/zinc/03/97/79/553039779.db2.gz SXIYPSFKPVARNS-XMMPIXPASA-N -1 1 530.602 6.362 50 30 KKEAMM CN(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000008441261 553040015 /nfs/dbraw/zinc/04/00/15/553040015.db2.gz ARVSIJGXLAEKBO-VWLOTQADSA-N -1 1 568.680 6.426 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000008441247 553040164 /nfs/dbraw/zinc/04/01/64/553040164.db2.gz ORCUAOFUEWDEEQ-SANMLTNESA-N -1 1 581.675 6.924 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1O ZINC000008441228 553040193 /nfs/dbraw/zinc/04/01/93/553040193.db2.gz CEWZOBCUOPCKPA-RUZDIDTESA-N -1 1 585.663 6.464 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000008441664 553041401 /nfs/dbraw/zinc/04/14/01/553041401.db2.gz YTYYDEOZFSETIP-LJAQVGFWSA-N 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/nfs/dbraw/zinc/04/21/61/553042161.db2.gz NZLIELVKFCBAIA-HHHXNRCGSA-N -1 1 644.561 8.820 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441767 553042230 /nfs/dbraw/zinc/04/22/30/553042230.db2.gz GCZRIENQFRUBEI-MUUNZHRXSA-N -1 1 589.698 7.821 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441794 553042326 /nfs/dbraw/zinc/04/23/26/553042326.db2.gz FRORCDZKYOITND-PMERELPUSA-N -1 1 617.752 8.636 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441794 553042327 /nfs/dbraw/zinc/04/23/27/553042327.db2.gz FRORCDZKYOITND-PMERELPUSA-N -1 1 617.752 8.636 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000008441812 553042365 /nfs/dbraw/zinc/04/23/65/553042365.db2.gz OZHJIONCIYXNFC-DEOSSOPVSA-N -1 1 509.543 6.168 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000008694693 553120449 /nfs/dbraw/zinc/12/04/49/553120449.db2.gz AZMDRZOIKIKHJG-FQEVSTJZSA-N -1 1 570.262 6.604 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008740601 553132137 /nfs/dbraw/zinc/13/21/37/553132137.db2.gz RIMNAEXJUSJPHX-HSZRJFAPSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008740601 553132138 /nfs/dbraw/zinc/13/21/38/553132138.db2.gz RIMNAEXJUSJPHX-HSZRJFAPSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000008817146 553152548 /nfs/dbraw/zinc/15/25/48/553152548.db2.gz RMICVHCEBFYRHH-HSZRJFAPSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000008817146 553152550 /nfs/dbraw/zinc/15/25/50/553152550.db2.gz RMICVHCEBFYRHH-HSZRJFAPSA-N -1 1 504.539 5.544 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008836074 553162794 /nfs/dbraw/zinc/16/27/94/553162794.db2.gz YNVLOYNXWUTHNM-OAQYLSRUSA-N -1 1 508.571 5.674 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008836979 553163520 /nfs/dbraw/zinc/16/35/20/553163520.db2.gz ZTILVJQIJIKHJB-JOCHJYFZSA-N -1 1 518.547 5.166 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008837136 553163798 /nfs/dbraw/zinc/16/37/98/553163798.db2.gz CNEMXBFCHMHMFC-HSZRJFAPSA-N -1 1 502.592 6.368 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008837136 553163799 /nfs/dbraw/zinc/16/37/99/553163799.db2.gz CNEMXBFCHMHMFC-HSZRJFAPSA-N -1 1 502.592 6.368 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000008837253 553163836 /nfs/dbraw/zinc/16/38/36/553163836.db2.gz OZOVWOBRVBXTKP-DEOSSOPVSA-N -1 1 516.575 5.495 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000008837253 553163839 /nfs/dbraw/zinc/16/38/39/553163839.db2.gz OZOVWOBRVBXTKP-DEOSSOPVSA-N -1 1 516.575 5.495 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000008837992 553164725 /nfs/dbraw/zinc/16/47/25/553164725.db2.gz HUJFKUPOBCZULD-DEOSSOPVSA-N -1 1 500.576 5.795 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894394 553177562 /nfs/dbraw/zinc/17/75/62/553177562.db2.gz NBIKPDOTFBJAAK-DEOSSOPVSA-N -1 1 502.567 6.179 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894394 553177563 /nfs/dbraw/zinc/17/75/63/553177563.db2.gz NBIKPDOTFBJAAK-DEOSSOPVSA-N -1 1 502.567 6.179 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894640 553177745 /nfs/dbraw/zinc/17/77/45/553177745.db2.gz HSOIHDZHDGSRHU-QHCPKHFHSA-N -1 1 504.633 6.492 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894640 553177749 /nfs/dbraw/zinc/17/77/49/553177749.db2.gz HSOIHDZHDGSRHU-QHCPKHFHSA-N -1 1 504.633 6.492 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000008894963 553178096 /nfs/dbraw/zinc/17/80/96/553178096.db2.gz BXFUDEQXPIFYEQ-XMMPIXPASA-N -1 1 519.022 6.666 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008896752 553178853 /nfs/dbraw/zinc/17/88/53/553178853.db2.gz XEBMCTFQOJZCQP-XMMPIXPASA-N -1 1 519.022 6.694 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008896752 553178855 /nfs/dbraw/zinc/17/88/55/553178855.db2.gz XEBMCTFQOJZCQP-XMMPIXPASA-N -1 1 519.022 6.694 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008900228 553181300 /nfs/dbraw/zinc/18/13/00/553181300.db2.gz JEKDLRUPIOMMKS-HSZRJFAPSA-N -1 1 502.548 5.105 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008934726 553192929 /nfs/dbraw/zinc/19/29/29/553192929.db2.gz FVUHTURHNCUVEY-JOCHJYFZSA-N -1 1 503.511 5.689 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000008973297 553195253 /nfs/dbraw/zinc/19/52/53/553195253.db2.gz VHJBLIGRVCVMDD-OAQYLSRUSA-N -1 1 511.386 6.395 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008973662 553195421 /nfs/dbraw/zinc/19/54/21/553195421.db2.gz QGKBCFKTGJLZLV-DEOSSOPVSA-N -1 1 503.023 7.164 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008973891 553195553 /nfs/dbraw/zinc/19/55/53/553195553.db2.gz MNJZZMLMSKRKET-JOCHJYFZSA-N -1 1 508.958 6.270 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008974087 553195745 /nfs/dbraw/zinc/19/57/45/553195745.db2.gz GYOGLCMTOVCNGK-NRFANRHFSA-N -1 1 504.589 5.544 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008974087 553195746 /nfs/dbraw/zinc/19/57/46/553195746.db2.gz GYOGLCMTOVCNGK-NRFANRHFSA-N -1 1 504.589 5.544 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008996548 553197432 /nfs/dbraw/zinc/19/74/32/553197432.db2.gz CCLXWDFYKXNOKF-OAQYLSRUSA-N -1 1 506.580 5.153 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009007609 553198105 /nfs/dbraw/zinc/19/81/05/553198105.db2.gz VOXLSTWCAFWPMI-QHCPKHFHSA-N -1 1 520.994 6.140 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009007836 553198275 /nfs/dbraw/zinc/19/82/75/553198275.db2.gz QMYNPBTWXPFPNE-JOCHJYFZSA-N -1 1 506.967 5.750 50 30 KKEAMM CN(C)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009019791 553201185 /nfs/dbraw/zinc/20/11/85/553201185.db2.gz JEEOLPCIPRAOGJ-JOCHJYFZSA-N -1 1 511.803 5.951 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009040942 553202085 /nfs/dbraw/zinc/20/20/85/553202085.db2.gz GQHJIPYBIVURRG-QFIPXVFZSA-N -1 1 504.589 5.714 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000009043876 553203147 /nfs/dbraw/zinc/20/31/47/553203147.db2.gz KUBMEDBKZZHLLB-JOCHJYFZSA-N -1 1 506.605 5.775 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009046050 553203519 /nfs/dbraw/zinc/20/35/19/553203519.db2.gz YMZZXLVYBKPAKQ-QFIPXVFZSA-N -1 1 508.958 6.270 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000009046490 553204044 /nfs/dbraw/zinc/20/40/44/553204044.db2.gz VWRWGNYJIZUHBG-DEOSSOPVSA-N -1 1 516.575 5.495 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000009046490 553204046 /nfs/dbraw/zinc/20/40/46/553204046.db2.gz VWRWGNYJIZUHBG-DEOSSOPVSA-N -1 1 516.575 5.495 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000009068474 553206621 /nfs/dbraw/zinc/20/66/21/553206621.db2.gz DQVXNIACAZIPAP-JOCHJYFZSA-N -1 1 511.043 6.502 50 30 KKEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009110856 553210107 /nfs/dbraw/zinc/21/01/07/553210107.db2.gz HDOFHGKQMCCXGV-OAQYLSRUSA-N -1 1 509.312 5.149 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009123665 553212260 /nfs/dbraw/zinc/21/22/60/553212260.db2.gz DZWFIZNDZVXJIR-XMMPIXPASA-N -1 1 516.575 5.413 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009123126 553212374 /nfs/dbraw/zinc/21/23/74/553212374.db2.gz HHEKDULBEZRVQK-JOCHJYFZSA-N -1 1 517.519 5.005 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009123689 553212576 /nfs/dbraw/zinc/21/25/76/553212576.db2.gz SLGPIHUOXWEWRG-OAQYLSRUSA-N -1 1 511.386 6.395 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000009124464 553212910 /nfs/dbraw/zinc/21/29/10/553212910.db2.gz CQGJLYZALSCQQT-PUAOIOHZSA-N -1 1 512.587 5.725 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009173991 553215903 /nfs/dbraw/zinc/21/59/03/553215903.db2.gz UTLWXBHSWBFLEU-JOCHJYFZSA-N -1 1 506.898 5.208 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009173999 553216056 /nfs/dbraw/zinc/21/60/56/553216056.db2.gz UTLWXBHSWBFLEU-QFIPXVFZSA-N -1 1 506.898 5.208 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009177306 553216371 /nfs/dbraw/zinc/21/63/71/553216371.db2.gz 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/nfs/dbraw/zinc/21/69/95/553216995.db2.gz MAWVTPXXPIUPOD-QFIPXVFZSA-N -1 1 502.523 5.313 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009186827 553217798 /nfs/dbraw/zinc/21/77/98/553217798.db2.gz NAVZWLUXJDWMFL-DEOSSOPVSA-N -1 1 519.022 6.748 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009186761 553217829 /nfs/dbraw/zinc/21/78/29/553217829.db2.gz NJSZSVZTLMEWNY-RUZDIDTESA-N -1 1 512.587 5.961 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009234361 553224920 /nfs/dbraw/zinc/22/49/20/553224920.db2.gz LXSIVJTXJCVAKC-DEOSSOPVSA-N -1 1 512.587 5.791 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000009234531 553224928 /nfs/dbraw/zinc/22/49/28/553224928.db2.gz HYCCZEJCHMLZRF-QHCPKHFHSA-N -1 1 520.994 6.140 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009236964 553225882 /nfs/dbraw/zinc/22/58/82/553225882.db2.gz DBVWEXUIMFBCIN-QHCPKHFHSA-N -1 1 516.575 5.413 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009241521 553226372 /nfs/dbraw/zinc/22/63/72/553226372.db2.gz DZQXUKULKMGASS-JOCHJYFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009241521 553226375 /nfs/dbraw/zinc/22/63/75/553226375.db2.gz DZQXUKULKMGASS-JOCHJYFZSA-N -1 1 501.520 5.304 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000009243705 553226816 /nfs/dbraw/zinc/22/68/16/553226816.db2.gz BYTKEMAZOVDQJD-BXKMTCNYSA-N -1 1 504.608 5.818 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccnc1)c1ccccc1 ZINC000009243815 553227126 /nfs/dbraw/zinc/22/71/26/553227126.db2.gz PXUUPWJANFPSLX-HXUWFJFHSA-N -1 1 504.568 5.147 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009271051 553230479 /nfs/dbraw/zinc/23/04/79/553230479.db2.gz UGFLKIPJLLOYOF-XMMPIXPASA-N -1 1 500.595 6.824 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009271606 553231008 /nfs/dbraw/zinc/23/10/08/553231008.db2.gz WXKSVKWPYOLADP-DEOSSOPVSA-N -1 1 500.576 5.795 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000009271593 553231029 /nfs/dbraw/zinc/23/10/29/553231029.db2.gz HBEGLPPVCPUDJL-QHCPKHFHSA-N -1 1 514.559 5.265 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000009271593 553231030 /nfs/dbraw/zinc/23/10/30/553231030.db2.gz HBEGLPPVCPUDJL-QHCPKHFHSA-N -1 1 514.559 5.265 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000009271658 553231292 /nfs/dbraw/zinc/23/12/92/553231292.db2.gz NKVABEBMAXXKPF-JOCHJYFZSA-N -1 1 520.563 5.315 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000009271658 553231294 /nfs/dbraw/zinc/23/12/94/553231294.db2.gz NKVABEBMAXXKPF-JOCHJYFZSA-N -1 1 520.563 5.315 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009302185 553236433 /nfs/dbraw/zinc/23/64/33/553236433.db2.gz KBMWURUEDLTKHI-OAQYLSRUSA-N -1 1 505.483 5.135 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009302129 553236440 /nfs/dbraw/zinc/23/64/40/553236440.db2.gz REFBCNZLLMWWFR-HSZRJFAPSA-N -1 1 504.514 5.922 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009334406 553243123 /nfs/dbraw/zinc/24/31/23/553243123.db2.gz OPRBUZSDBFDUJD-XMMPIXPASA-N -1 1 500.576 5.795 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000009339447 553243466 /nfs/dbraw/zinc/24/34/66/553243466.db2.gz VRGDQEYRBDUDDF-DEOSSOPVSA-N -1 1 500.576 5.795 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000009339558 553243474 /nfs/dbraw/zinc/24/34/74/553243474.db2.gz FKWFYUWAFAVQOD-SFHVURJKSA-N -1 1 500.935 5.204 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009339997 553243890 /nfs/dbraw/zinc/24/38/90/553243890.db2.gz NYALOXHUKYPVFO-VWLOTQADSA-N -1 1 514.603 6.103 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000009350027 553245031 /nfs/dbraw/zinc/24/50/31/553245031.db2.gz GBNOKNXWHVKBOG-OYLFLEFRSA-N -1 1 517.006 6.364 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009353300 553245291 /nfs/dbraw/zinc/24/52/91/553245291.db2.gz GXRGFWPMAYLTMM-RUZDIDTESA-N -1 1 514.603 6.185 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3)ccc2O1 ZINC000009350935 553245294 /nfs/dbraw/zinc/24/52/94/553245294.db2.gz ASLVZURQKFEGQK-QKFKETGDSA-N -1 1 502.979 6.056 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3)ccc2O1 ZINC000009350935 553245295 /nfs/dbraw/zinc/24/52/95/553245295.db2.gz ASLVZURQKFEGQK-QKFKETGDSA-N -1 1 502.979 6.056 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000009357584 553246982 /nfs/dbraw/zinc/24/69/82/553246982.db2.gz NABRQUAGHFVATO-OWJWWREXSA-N -1 1 500.551 5.850 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009358900 553247724 /nfs/dbraw/zinc/24/77/24/553247724.db2.gz HXNHKWPZMVCTRT-OWJWWREXSA-N -1 1 500.551 5.850 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009360406 553248395 /nfs/dbraw/zinc/24/83/95/553248395.db2.gz ADQQJGZKEYCQAD-IVCQMTBJSA-N -1 1 512.587 5.720 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000009360827 553248615 /nfs/dbraw/zinc/24/86/15/553248615.db2.gz MFJVWRHSOJOOPA-ZAMGYDSWSA-N -1 1 518.978 5.762 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000009360827 553248616 /nfs/dbraw/zinc/24/86/16/553248616.db2.gz MFJVWRHSOJOOPA-ZAMGYDSWSA-N -1 1 518.978 5.762 50 30 KKEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1ccc(O)cc1 ZINC000009373749 553250503 /nfs/dbraw/zinc/25/05/03/553250503.db2.gz OCVSHOGNUFZFGR-LJQANCHMSA-N -1 1 509.540 5.051 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccnc2)o1 ZINC000009374326 553250666 /nfs/dbraw/zinc/25/06/66/553250666.db2.gz JOMQWWATBPFASO-IBGZPJMESA-N -1 1 508.556 5.049 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009373818 553250736 /nfs/dbraw/zinc/25/07/36/553250736.db2.gz ZLMADZVKLURLTD-OWJWWREXSA-N -1 1 500.551 5.850 50 30 KKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccc(O)cc1 ZINC000009373841 553250752 /nfs/dbraw/zinc/25/07/52/553250752.db2.gz YHIDIAMJVYLXOV-IBGZPJMESA-N -1 1 507.618 5.380 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009425251 553259303 /nfs/dbraw/zinc/25/93/03/553259303.db2.gz IMVRCQFPFSAJEJ-QHCPKHFHSA-N -1 1 518.591 5.332 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009451666 553265976 /nfs/dbraw/zinc/26/59/76/553265976.db2.gz YAEWTGQQPAONDQ-QHCPKHFHSA-N -1 1 508.368 5.639 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009462596 553268511 /nfs/dbraw/zinc/26/85/11/553268511.db2.gz LGTYRLXELYRZFH-SANMLTNESA-N -1 1 510.615 6.376 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(C)cc2)s1 ZINC000009463227 553268956 /nfs/dbraw/zinc/26/89/56/553268956.db2.gz BQUSZPUTVOPIQK-VWLOTQADSA-N 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ACWIKVNBVZBESP-HSZRJFAPSA-N -1 1 518.978 5.812 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2OC)cc1C ZINC000009477417 553272490 /nfs/dbraw/zinc/27/24/90/553272490.db2.gz SMNCKCJOJDFMFB-DEOSSOPVSA-N -1 1 500.576 5.713 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c(OC)c1 ZINC000009601059 553286487 /nfs/dbraw/zinc/28/64/87/553286487.db2.gz NUKCMKGVBWNHIV-QFIPXVFZSA-N -1 1 506.967 5.750 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)c(OC)c1 ZINC000009601059 553286488 /nfs/dbraw/zinc/28/64/88/553286488.db2.gz NUKCMKGVBWNHIV-QFIPXVFZSA-N -1 1 506.967 5.750 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000009994090 553324431 /nfs/dbraw/zinc/32/44/31/553324431.db2.gz KUXHZVGZUWOTPU-QFIPXVFZSA-N -1 1 518.591 5.203 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccccc3Cl)=C([O-])C(=O)N2c2ccc(C#N)c(Cl)c2)cc1 ZINC000013129387 553450592 /nfs/dbraw/zinc/45/05/92/553450592.db2.gz AXJJRCXAHWKWRN-QFIPXVFZSA-N -1 1 507.329 5.435 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000013548585 553469917 /nfs/dbraw/zinc/46/99/17/553469917.db2.gz KGYOAFFMLAKHEC-XMMPIXPASA-N -1 1 500.620 6.841 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000013551190 553470418 /nfs/dbraw/zinc/47/04/18/553470418.db2.gz RKJDATURHJCIHD-RUZDIDTESA-N -1 1 514.578 6.346 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000013551190 553470419 /nfs/dbraw/zinc/47/04/19/553470419.db2.gz RKJDATURHJCIHD-RUZDIDTESA-N -1 1 514.578 6.346 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000013551188 553470464 /nfs/dbraw/zinc/47/04/64/553470464.db2.gz RKJDATURHJCIHD-VWLOTQADSA-N -1 1 514.578 6.346 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000013551188 553470466 /nfs/dbraw/zinc/47/04/66/553470466.db2.gz RKJDATURHJCIHD-VWLOTQADSA-N -1 1 514.578 6.346 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000013552746 553470975 /nfs/dbraw/zinc/47/09/75/553470975.db2.gz RXTPMPGAMCKMKM-HSZRJFAPSA-N -1 1 518.566 5.798 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000013552746 553470977 /nfs/dbraw/zinc/47/09/77/553470977.db2.gz RXTPMPGAMCKMKM-HSZRJFAPSA-N -1 1 518.566 5.798 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000016729875 553575959 /nfs/dbraw/zinc/57/59/59/553575959.db2.gz LYIQGLQVQNPWEY-NRFANRHFSA-N -1 1 524.570 5.339 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000016730269 553576482 /nfs/dbraw/zinc/57/64/82/553576482.db2.gz BMQCETMJVAMGAN-NRFANRHFSA-N -1 1 524.570 5.339 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016741270 553579720 /nfs/dbraw/zinc/57/97/20/553579720.db2.gz MCHLAJUFQGKVPJ-XMMPIXPASA-N -1 1 500.551 5.953 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccncc3)s2)cc1 ZINC000016749907 553580714 /nfs/dbraw/zinc/58/07/14/553580714.db2.gz KPCHFQAKDVFUQS-OAQYLSRUSA-N -1 1 518.595 5.456 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000016753396 553580913 /nfs/dbraw/zinc/58/09/13/553580913.db2.gz ZQJGTTAANTVJTR-HSZRJFAPSA-N -1 1 520.632 6.328 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000016753396 553580914 /nfs/dbraw/zinc/58/09/14/553580914.db2.gz ZQJGTTAANTVJTR-HSZRJFAPSA-N -1 1 520.632 6.328 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000016805387 553582827 /nfs/dbraw/zinc/58/28/27/553582827.db2.gz LBZQONRAOMYBRJ-FQEVSTJZSA-N -1 1 510.518 5.164 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017242305 553590897 /nfs/dbraw/zinc/59/08/97/553590897.db2.gz QXZKXWGZLWRWCS-NRFANRHFSA-N -1 1 518.595 5.592 50 30 KKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000017242430 553590912 /nfs/dbraw/zinc/59/09/12/553590912.db2.gz YFLXKOLPSHNDSI-JOCHJYFZSA-N -1 1 521.614 5.419 50 30 KKEAMM COc1cccc([C@@H]2c3c(=O)[n-]c(SCc4ccc(F)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000020134305 553592517 /nfs/dbraw/zinc/59/25/17/553592517.db2.gz FHTNXEQYNMFTAO-NRFANRHFSA-N -1 1 521.614 5.419 50 30 KKEAMM CC(C)(C)c1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(C(C)(C)C)c1O ZINC000097947951 553790008 /nfs/dbraw/zinc/79/00/08/553790008.db2.gz PNNVCVLIIPERJT-LJAQVGFWSA-N -1 1 546.708 6.995 50 30 KKEAMM CCCCCCCCN1C(=O)N(c2ccc(Cl)cc2)[C@@H](N([O-])C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000097949750 553802785 /nfs/dbraw/zinc/80/27/85/553802785.db2.gz CPJNFQWAFRMDGM-QHCPKHFHSA-N -1 1 521.489 7.624 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000097951675 553810580 /nfs/dbraw/zinc/81/05/80/553810580.db2.gz WQQFUUGCAOKPIB-HXUWFJFHSA-N -1 1 536.731 6.904 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097951775 553811108 /nfs/dbraw/zinc/81/11/08/553811108.db2.gz DFUULQAMVNNRTH-XMMPIXPASA-N -1 1 533.049 7.039 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000097951748 553811127 /nfs/dbraw/zinc/81/11/27/553811127.db2.gz YXSQHYAHRLRRQV-AREMUKBSSA-N -1 1 544.629 6.112 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097951807 553811427 /nfs/dbraw/zinc/81/14/27/553811427.db2.gz KQIFXGIMSLPUJU-XMMPIXPASA-N -1 1 535.021 6.367 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097951819 553811509 /nfs/dbraw/zinc/81/15/09/553811509.db2.gz OCFAOIGISJGXAL-AREMUKBSSA-N -1 1 544.629 6.194 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097951839 553811720 /nfs/dbraw/zinc/81/17/20/553811720.db2.gz HUYHSAPZWPPJMG-RUZDIDTESA-N -1 1 532.593 6.324 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097951839 553811723 /nfs/dbraw/zinc/81/17/23/553811723.db2.gz HUYHSAPZWPPJMG-RUZDIDTESA-N -1 1 532.593 6.324 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000097952208 553813823 /nfs/dbraw/zinc/81/38/23/553813823.db2.gz SZWFLTWEDIAWDR-QHCPKHFHSA-N -1 1 549.446 6.467 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000097952210 553813869 /nfs/dbraw/zinc/81/38/69/553813869.db2.gz BCQHHVRTVGSKDP-DEOSSOPVSA-N -1 1 527.558 5.722 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000097952221 553814217 /nfs/dbraw/zinc/81/42/17/553814217.db2.gz PZACVEUFLPZCKS-VWLOTQADSA-N -1 1 530.602 5.667 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097952279 553814326 /nfs/dbraw/zinc/81/43/26/553814326.db2.gz JVRUADABTKODOY-AREMUKBSSA-N -1 1 528.630 6.528 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097952278 553814429 /nfs/dbraw/zinc/81/44/29/553814429.db2.gz DJMKUHYIKDHNGL-SANMLTNESA-N -1 1 528.630 6.493 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952275 553814497 /nfs/dbraw/zinc/81/44/97/553814497.db2.gz ARRMPBFHFSHIII-XMMPIXPASA-N -1 1 544.585 5.191 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952275 553814498 /nfs/dbraw/zinc/81/44/98/553814498.db2.gz ARRMPBFHFSHIII-XMMPIXPASA-N -1 1 544.585 5.191 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000097952299 553814723 /nfs/dbraw/zinc/81/47/23/553814723.db2.gz CESWPTXBPMSGPY-XMMPIXPASA-N -1 1 529.574 5.921 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000097952300 553814825 /nfs/dbraw/zinc/81/48/25/553814825.db2.gz CESWPTXBPMSGPY-DEOSSOPVSA-N -1 1 529.574 5.921 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952440 553815711 /nfs/dbraw/zinc/81/57/11/553815711.db2.gz MMDZDWBKJUYCEM-QHCPKHFHSA-N -1 1 533.447 6.713 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000097952588 553816948 /nfs/dbraw/zinc/81/69/48/553816948.db2.gz DGQQUQDONUWWLS-AREMUKBSSA-N -1 1 526.614 6.215 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952596 553816968 /nfs/dbraw/zinc/81/69/68/553816968.db2.gz SRAUJXARLRYCNW-SANMLTNESA-N -1 1 542.613 5.970 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097952591 553817072 /nfs/dbraw/zinc/81/70/72/553817072.db2.gz WUXWEPQGIRNUEO-SANMLTNESA-N -1 1 544.629 6.194 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000097952992 553818456 /nfs/dbraw/zinc/81/84/56/553818456.db2.gz XKAMXTAFKOLHOE-QHCPKHFHSA-N -1 1 534.977 5.512 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(CC)cc3)sc2c1 ZINC000097953075 553819149 /nfs/dbraw/zinc/81/91/49/553819149.db2.gz RHWRTWVGDUFXGD-AREMUKBSSA-N -1 1 542.613 5.812 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955014 553827574 /nfs/dbraw/zinc/82/75/74/553827574.db2.gz PALGSGOSKGPQAV-JBEBIEQOSA-N -1 1 533.005 6.065 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955014 553827576 /nfs/dbraw/zinc/82/75/76/553827576.db2.gz PALGSGOSKGPQAV-JBEBIEQOSA-N -1 1 533.005 6.065 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955058 553827834 /nfs/dbraw/zinc/82/78/34/553827834.db2.gz COHFWDCMQFYUEK-JCQPUDPBSA-N -1 1 537.424 6.709 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955054 553827864 /nfs/dbraw/zinc/82/78/64/553827864.db2.gz OUFQQDVSJKWBMO-YEBMWUKDSA-N -1 1 549.004 5.770 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955055 553828061 /nfs/dbraw/zinc/82/80/61/553828061.db2.gz OUFQQDVSJKWBMO-RKNYENMMSA-N -1 1 549.004 5.770 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000097955144 553829108 /nfs/dbraw/zinc/82/91/08/553829108.db2.gz QUUDKXHWTWMLFU-ASSNKEHSSA-N -1 1 539.009 5.388 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000097955188 553829374 /nfs/dbraw/zinc/82/93/74/553829374.db2.gz BLHXTJOJBYSLCF-PWECECGKSA-N -1 1 576.602 5.568 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097955230 553829842 /nfs/dbraw/zinc/82/98/42/553829842.db2.gz REEXOHVOGRQKHE-AUSOSSAASA-N -1 1 648.737 7.389 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955256 553830132 /nfs/dbraw/zinc/83/01/32/553830132.db2.gz FNMAQXFMRKZTMM-BZQUYTCOSA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955256 553830133 /nfs/dbraw/zinc/83/01/33/553830133.db2.gz FNMAQXFMRKZTMM-BZQUYTCOSA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097955603 553831526 /nfs/dbraw/zinc/83/15/26/553831526.db2.gz HINZALNEPYMKJS-YHAMSUFESA-N -1 1 542.613 5.810 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097955582 553831715 /nfs/dbraw/zinc/83/17/15/553831715.db2.gz HDNDGWQOVSGFGA-SHACYNPGSA-N -1 1 544.560 5.328 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955668 553832772 /nfs/dbraw/zinc/83/27/72/553832772.db2.gz OZCGVPFPLKUTKR-MYUZEXMDSA-N -1 1 540.641 6.418 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097955678 553832809 /nfs/dbraw/zinc/83/28/09/553832809.db2.gz JJLFDHGUIZXSBS-AKJBCIBTSA-N -1 1 542.613 5.728 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097955679 553832879 /nfs/dbraw/zinc/83/28/79/553832879.db2.gz JJLFDHGUIZXSBS-DXPJPUQTSA-N -1 1 542.613 5.728 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955692 553832925 /nfs/dbraw/zinc/83/29/25/553832925.db2.gz LBSUXIAXGXSGIQ-BZQUYTCOSA-N -1 1 531.033 6.618 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955709 553833142 /nfs/dbraw/zinc/83/31/42/553833142.db2.gz VZHSGBIUCMPMSO-YHAMSUFESA-N -1 1 542.613 5.815 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000097955739 553833577 /nfs/dbraw/zinc/83/35/77/553833577.db2.gz UPOYRDYLGPRMFH-FPTDNZKUSA-N -1 1 534.565 5.040 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955784 553833912 /nfs/dbraw/zinc/83/39/12/553833912.db2.gz ZJDIFWPCSAKQJT-CRYYWNKWSA-N -1 1 556.640 6.124 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nccs2)cc(Br)c1O ZINC000027662440 553836182 /nfs/dbraw/zinc/83/61/82/553836182.db2.gz IERPDQFZFPZHBQ-SFHVURJKSA-N -1 1 515.385 5.020 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097956214 553836945 /nfs/dbraw/zinc/83/69/45/553836945.db2.gz BMOHUNAANDOMDA-WGDIFIGCSA-N -1 1 539.613 5.532 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097956214 553836948 /nfs/dbraw/zinc/83/69/48/553836948.db2.gz BMOHUNAANDOMDA-WGDIFIGCSA-N -1 1 539.613 5.532 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097956233 553836967 /nfs/dbraw/zinc/83/69/67/553836967.db2.gz HQUYXDKPWGFUHU-HFJWLAOPSA-N -1 1 524.598 5.828 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097956233 553836969 /nfs/dbraw/zinc/83/69/69/553836969.db2.gz HQUYXDKPWGFUHU-HFJWLAOPSA-N -1 1 524.598 5.828 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097956684 553840743 /nfs/dbraw/zinc/84/07/43/553840743.db2.gz SRKJITHEVDWILF-JBEBIEQOSA-N -1 1 543.557 5.319 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956782 553841890 /nfs/dbraw/zinc/84/18/90/553841890.db2.gz NTXBNJNJSYHNIM-RUZDIDTESA-N -1 1 570.623 6.130 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000097956825 553842122 /nfs/dbraw/zinc/84/21/22/553842122.db2.gz VETQKCVQEQHDMR-FQEVSTJZSA-N -1 1 526.998 5.382 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000097956816 553842334 /nfs/dbraw/zinc/84/23/34/553842334.db2.gz OJQVLTLBSLQJGJ-XMMPIXPASA-N -1 1 544.629 5.759 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000097966934 553911903 /nfs/dbraw/zinc/91/19/03/553911903.db2.gz YSXGXWWJIBTCAX-HHHXNRCGSA-N -1 1 582.678 6.607 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000097966934 553911904 /nfs/dbraw/zinc/91/19/04/553911904.db2.gz YSXGXWWJIBTCAX-HHHXNRCGSA-N -1 1 582.678 6.607 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097966911 553911956 /nfs/dbraw/zinc/91/19/56/553911956.db2.gz KKOGUFSYQHZRAV-OAQYLSRUSA-N -1 1 555.837 6.504 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000097967244 553915859 /nfs/dbraw/zinc/91/58/59/553915859.db2.gz NKPWOKYVJKSXCO-NDEPHWFRSA-N -1 1 628.703 6.316 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097967257 553915882 /nfs/dbraw/zinc/91/58/82/553915882.db2.gz DLBLCRDWBDTUGJ-IVCQMTBJSA-N -1 1 575.484 6.782 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967283 553916270 /nfs/dbraw/zinc/91/62/70/553916270.db2.gz VTOLIRNNZYXPDB-YRVHBCJASA-N -1 1 598.677 6.375 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097967277 553916359 /nfs/dbraw/zinc/91/63/59/553916359.db2.gz UGGMAUWYQQHSKB-PWECECGKSA-N -1 1 581.477 7.108 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097967275 553916420 /nfs/dbraw/zinc/91/64/20/553916420.db2.gz UGGMAUWYQQHSKB-HWRSSNJWSA-N -1 1 581.477 7.108 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967372 553917552 /nfs/dbraw/zinc/91/75/52/553917552.db2.gz QZGMFLBIMAGHDE-JYRCXFKTSA-N -1 1 586.666 6.209 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097967445 553918409 /nfs/dbraw/zinc/91/84/09/553918409.db2.gz GAAUQLCHNSTAKL-CRICUBBOSA-N -1 1 599.690 5.723 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967541 553919828 /nfs/dbraw/zinc/91/98/28/553919828.db2.gz HISILXPXQOTWLV-PRAQEBQASA-N -1 1 692.259 8.168 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097967557 553920114 /nfs/dbraw/zinc/92/01/14/553920114.db2.gz OTNJAPKMFWJVKA-OYLFLEFRSA-N -1 1 610.544 7.244 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097967552 553920139 /nfs/dbraw/zinc/92/01/39/553920139.db2.gz NTRUNIQHBOBSGA-HAWMADMCSA-N -1 1 558.612 5.516 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097967551 553920244 /nfs/dbraw/zinc/92/02/44/553920244.db2.gz NTRUNIQHBOBSGA-QWXGXRTQSA-N -1 1 558.612 5.516 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097967554 553920261 /nfs/dbraw/zinc/92/02/61/553920261.db2.gz NTRUNIQHBOBSGA-WZQKQDCOSA-N -1 1 558.612 5.516 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967579 553920623 /nfs/dbraw/zinc/92/06/23/553920623.db2.gz XQHJSVUEZFVOCF-HSZRJFAPSA-N -1 1 579.428 5.622 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967583 553920684 /nfs/dbraw/zinc/92/06/84/553920684.db2.gz OZZFDJUTXAIBRU-QMTYFTJSSA-N -1 1 559.043 6.621 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967583 553920686 /nfs/dbraw/zinc/92/06/86/553920686.db2.gz OZZFDJUTXAIBRU-QMTYFTJSSA-N -1 1 559.043 6.621 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097967652 553921439 /nfs/dbraw/zinc/92/14/39/553921439.db2.gz JPNQZRSZEZYKBF-XRHLQHRESA-N -1 1 554.624 5.837 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097967652 553921441 /nfs/dbraw/zinc/92/14/41/553921441.db2.gz JPNQZRSZEZYKBF-XRHLQHRESA-N -1 1 554.624 5.837 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097967656 553921462 /nfs/dbraw/zinc/92/14/62/553921462.db2.gz LDSHWEMHPXUUEP-MUUNZHRXSA-N -1 1 597.048 7.296 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000097967688 553921763 /nfs/dbraw/zinc/92/17/63/553921763.db2.gz DHPUARWSFKWTAH-GELPCWRISA-N -1 1 741.891 9.068 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967681 553921911 /nfs/dbraw/zinc/92/19/11/553921911.db2.gz SYYMIMMIEKLIHB-XBBWARJSSA-N -1 1 584.694 6.817 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000097967699 553921945 /nfs/dbraw/zinc/92/19/45/553921945.db2.gz ZQVMHQJFPSCQQG-CBZJRKILSA-N -1 1 586.666 6.045 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967714 553922195 /nfs/dbraw/zinc/92/21/95/553922195.db2.gz IVAWWMRPLKQKHB-CBZJRKILSA-N -1 1 569.639 5.540 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967723 553922263 /nfs/dbraw/zinc/92/22/63/553922263.db2.gz SEAMEGNRXCRTEQ-BGOLNKOXSA-N -1 1 682.223 8.169 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967740 553922738 /nfs/dbraw/zinc/92/27/38/553922738.db2.gz OKRLTLJLJVLJQX-ADSBAMQRSA-N -1 1 633.166 7.880 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967740 553922742 /nfs/dbraw/zinc/92/27/42/553922742.db2.gz OKRLTLJLJVLJQX-ADSBAMQRSA-N -1 1 633.166 7.880 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967742 553922845 /nfs/dbraw/zinc/92/28/45/553922845.db2.gz OKRLTLJLJVLJQX-QTEAWJPNSA-N -1 1 633.166 7.880 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967742 553922848 /nfs/dbraw/zinc/92/28/48/553922848.db2.gz OKRLTLJLJVLJQX-QTEAWJPNSA-N -1 1 633.166 7.880 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967796 553922957 /nfs/dbraw/zinc/92/29/57/553922957.db2.gz XXUBZLYDLVEBPR-ADXZGYQBSA-N -1 1 584.694 6.980 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967785 553922980 /nfs/dbraw/zinc/92/29/80/553922980.db2.gz JEASGVFSLTVXFZ-JBEBIEQOSA-N -1 1 577.456 6.174 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967788 553922984 /nfs/dbraw/zinc/92/29/84/553922984.db2.gz PYDWLZXQVPBKTC-JMQGSBJISA-N -1 1 583.666 5.931 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967788 553922987 /nfs/dbraw/zinc/92/29/87/553922987.db2.gz PYDWLZXQVPBKTC-JMQGSBJISA-N -1 1 583.666 5.931 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)nc1C ZINC000097967768 553923194 /nfs/dbraw/zinc/92/31/94/553923194.db2.gz FTASXGOZOJOBOQ-DEOSSOPVSA-N -1 1 555.612 5.303 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967817 553923529 /nfs/dbraw/zinc/92/35/29/553923529.db2.gz XQBAFDRHSSGQHK-PLTNMMHCSA-N -1 1 604.684 6.990 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967810 553923555 /nfs/dbraw/zinc/92/35/55/553923555.db2.gz NJEQMFHQUVQSEO-LBEKAKSKSA-N -1 1 619.139 7.490 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967798 553923628 /nfs/dbraw/zinc/92/36/28/553923628.db2.gz XXUBZLYDLVEBPR-SONOPUAISA-N -1 1 584.694 6.980 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967844 553924031 /nfs/dbraw/zinc/92/40/31/553924031.db2.gz BZMSPPBTQPMMFS-WRHNGFHOSA-N -1 1 570.667 6.590 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097967848 553924075 /nfs/dbraw/zinc/92/40/75/553924075.db2.gz PJZQYUAPKYSNFC-JWIGPWBQSA-N -1 1 574.630 6.339 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097967848 553924079 /nfs/dbraw/zinc/92/40/79/553924079.db2.gz PJZQYUAPKYSNFC-JWIGPWBQSA-N -1 1 574.630 6.339 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097967885 553924407 /nfs/dbraw/zinc/92/44/07/553924407.db2.gz BDZGZRFQZVAHME-OWJWWREXSA-N -1 1 594.089 6.729 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000097967861 553924517 /nfs/dbraw/zinc/92/45/17/553924517.db2.gz YZHRGZGIQPSKNI-SSEXGKCCSA-N -1 1 691.803 7.347 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097967910 553924866 /nfs/dbraw/zinc/92/48/66/553924866.db2.gz WCSDKMVKTIVPAP-WZQKQDCOSA-N -1 1 558.612 5.516 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097967910 553924867 /nfs/dbraw/zinc/92/48/67/553924867.db2.gz WCSDKMVKTIVPAP-WZQKQDCOSA-N -1 1 558.612 5.516 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097967935 553925404 /nfs/dbraw/zinc/92/54/04/553925404.db2.gz AFOXEIVBKBJSFA-LMKMVOKYSA-N -1 1 589.670 6.084 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967956 553925649 /nfs/dbraw/zinc/92/56/49/553925649.db2.gz WNGCIBPDCBYSNF-YRVHBCJASA-N -1 1 710.661 8.207 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968005 553926089 /nfs/dbraw/zinc/92/60/89/553926089.db2.gz HZWRYUDSHZSEDL-HHHXNRCGSA-N -1 1 633.723 6.703 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968031 553926632 /nfs/dbraw/zinc/92/66/32/553926632.db2.gz GBTDCAFMQJHMCW-AREMUKBSSA-N -1 1 601.706 6.092 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968017 553926685 /nfs/dbraw/zinc/92/66/85/553926685.db2.gz RGPSHWFMFVTCSE-HHHXNRCGSA-N -1 1 650.178 7.217 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000097968043 553926690 /nfs/dbraw/zinc/92/66/90/553926690.db2.gz QGCRIZAFTMFGDU-PMERELPUSA-N -1 1 673.813 7.208 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097968084 553927332 /nfs/dbraw/zinc/92/73/32/553927332.db2.gz GXUYAEXIFBNZOC-XMMPIXPASA-N -1 1 619.652 5.310 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097968113 553927942 /nfs/dbraw/zinc/92/79/42/553927942.db2.gz HXHSDIFZHHDOHX-HSZRJFAPSA-N -1 1 596.061 6.177 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000097968141 553928503 /nfs/dbraw/zinc/92/85/03/553928503.db2.gz MYZDVXFCBJTFIY-IZHWHUGBSA-N -1 1 592.098 6.296 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000097968178 553928778 /nfs/dbraw/zinc/92/87/78/553928778.db2.gz HIZSXTNZVKOJRJ-JGCGQSQUSA-N -1 1 728.248 8.016 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968182 553928877 /nfs/dbraw/zinc/92/88/77/553928877.db2.gz DBDHCLCTCOWZAG-HHHXNRCGSA-N -1 1 684.623 7.870 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097968215 553929076 /nfs/dbraw/zinc/92/90/76/553929076.db2.gz WOMQDJRIBDVRQM-QHCPKHFHSA-N -1 1 596.061 6.177 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097968209 553929083 /nfs/dbraw/zinc/92/90/83/553929083.db2.gz ZKVPKAHBVFMIKX-XIFFEERXSA-N -1 1 709.846 8.115 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968222 553929104 /nfs/dbraw/zinc/92/91/04/553929104.db2.gz RCAYTNWITBUXLI-MUUNZHRXSA-N -1 1 645.759 6.490 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968207 553929157 /nfs/dbraw/zinc/92/91/57/553929157.db2.gz XQNQBDHOGDXKDD-LJAQVGFWSA-N -1 1 659.786 6.962 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968249 553929498 /nfs/dbraw/zinc/92/94/98/553929498.db2.gz AFARTXWHXQXXBD-VWLOTQADSA-N -1 1 605.669 5.922 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968252 553929675 /nfs/dbraw/zinc/92/96/75/553929675.db2.gz CLDHMVNPAOCHKK-RUZDIDTESA-N -1 1 656.569 7.090 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097968329 553930761 /nfs/dbraw/zinc/93/07/61/553930761.db2.gz GFBSCROUDFEXJT-RUZDIDTESA-N -1 1 562.644 5.633 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968375 553931279 /nfs/dbraw/zinc/93/12/79/553931279.db2.gz WJOFJUSIWLHHAV-HZAQMHFWSA-N -1 1 726.704 8.821 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097968378 553931298 /nfs/dbraw/zinc/93/12/98/553931298.db2.gz NMRUTGQHEPNSQZ-VWLOTQADSA-N -1 1 562.644 5.777 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097968372 553931329 /nfs/dbraw/zinc/93/13/29/553931329.db2.gz MQEBWPUPNLLRBK-MHZLTWQESA-N -1 1 611.676 6.677 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097968425 553932391 /nfs/dbraw/zinc/93/23/91/553932391.db2.gz PNPNKUAJISYFDB-QHCPKHFHSA-N -1 1 596.061 6.177 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968433 553932494 /nfs/dbraw/zinc/93/24/94/553932494.db2.gz GINNWSRVJHVZAN-MHZLTWQESA-N -1 1 613.717 6.258 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968429 553932505 /nfs/dbraw/zinc/93/25/05/553932505.db2.gz YYZRVLLJEAUDTB-LJAQVGFWSA-N -1 1 643.787 7.262 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097969136 553936854 /nfs/dbraw/zinc/93/68/54/553936854.db2.gz DJXHQYVHANNUIN-IZHWHUGBSA-N -1 1 594.089 6.729 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000097969151 553936909 /nfs/dbraw/zinc/93/69/09/553936909.db2.gz JWGUPNCLQCIZSQ-NDEPHWFRSA-N -1 1 594.689 6.773 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097969126 553937061 /nfs/dbraw/zinc/93/70/61/553937061.db2.gz BHNNELALQGQAAI-AKJBCIBTSA-N -1 1 559.087 7.354 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969132 553937070 /nfs/dbraw/zinc/93/70/70/553937070.db2.gz RTZVUVRUMXQEIF-SSEXGKCCSA-N -1 1 630.719 6.827 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969132 553937073 /nfs/dbraw/zinc/93/70/73/553937073.db2.gz RTZVUVRUMXQEIF-SSEXGKCCSA-N -1 1 630.719 6.827 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969133 553937120 /nfs/dbraw/zinc/93/71/20/553937120.db2.gz RTZVUVRUMXQEIF-PMERELPUSA-N -1 1 630.719 6.827 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969133 553937123 /nfs/dbraw/zinc/93/71/23/553937123.db2.gz RTZVUVRUMXQEIF-PMERELPUSA-N -1 1 630.719 6.827 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097969158 553937435 /nfs/dbraw/zinc/93/74/35/553937435.db2.gz VHZWXNNUDXQQAB-BSEYFRJRSA-N -1 1 551.451 7.018 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097969171 553937509 /nfs/dbraw/zinc/93/75/09/553937509.db2.gz IRKSMRLZNNHUNP-IIMAJNMQSA-N -1 1 657.814 7.433 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969265 553938671 /nfs/dbraw/zinc/93/86/71/553938671.db2.gz FLXMOMVRKGMXGF-PBBNMVCDSA-N -1 1 627.788 7.506 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097969249 553938772 /nfs/dbraw/zinc/93/87/72/553938772.db2.gz ZBUKCLLNIIMZIB-VOIUYBSRSA-N -1 1 576.099 6.590 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000097969258 553938794 /nfs/dbraw/zinc/93/87/94/553938794.db2.gz MNGCOQPBUCRPPY-DHYKOVJISA-N -1 1 709.821 8.054 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000097969257 553938802 /nfs/dbraw/zinc/93/88/02/553938802.db2.gz MNGCOQPBUCRPPY-KATKFWMUSA-N -1 1 709.821 8.054 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969294 553939428 /nfs/dbraw/zinc/93/94/28/553939428.db2.gz WUUBQBIYFDFACY-MMTVBGGISA-N -1 1 613.761 7.116 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097969320 553939606 /nfs/dbraw/zinc/93/96/06/553939606.db2.gz UFPNYWSDGXRUHU-JGCGQSQUSA-N -1 1 660.748 8.091 50 30 KKEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969365 553940132 /nfs/dbraw/zinc/94/01/32/553940132.db2.gz ZCAPDYOJLPDYGN-WRGVRERRSA-N -1 1 635.767 7.489 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969365 553940134 /nfs/dbraw/zinc/94/01/34/553940134.db2.gz ZCAPDYOJLPDYGN-WRGVRERRSA-N -1 1 635.767 7.489 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969343 553940243 /nfs/dbraw/zinc/94/02/43/553940243.db2.gz DNFMFETXZLXHDJ-HMILPKGGSA-N -1 1 554.668 6.808 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969374 553940462 /nfs/dbraw/zinc/94/04/62/553940462.db2.gz MRZKAZSVTBFZQT-WHLCRQNOSA-N -1 1 648.206 7.769 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969569 553942633 /nfs/dbraw/zinc/94/26/33/553942633.db2.gz IBAIQAWMZWEAJZ-COOREUGTSA-N -1 1 697.838 8.669 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969570 553942697 /nfs/dbraw/zinc/94/26/97/553942697.db2.gz IBAIQAWMZWEAJZ-AOXBRHMESA-N -1 1 697.838 8.669 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097969614 553942887 /nfs/dbraw/zinc/94/28/87/553942887.db2.gz ASNGCVFDXRVYLD-DNOBIOAJSA-N -1 1 616.692 5.864 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097969614 553942888 /nfs/dbraw/zinc/94/28/88/553942888.db2.gz ASNGCVFDXRVYLD-DNOBIOAJSA-N -1 1 616.692 5.864 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969611 553942979 /nfs/dbraw/zinc/94/29/79/553942979.db2.gz GHLYONRGFSKFJU-MHZLTWQESA-N -1 1 634.707 5.926 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000097969660 553943323 /nfs/dbraw/zinc/94/33/23/553943323.db2.gz SKXFWEJXRCDMKE-DNOBIOAJSA-N -1 1 620.724 6.168 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000097969660 553943326 /nfs/dbraw/zinc/94/33/26/553943326.db2.gz SKXFWEJXRCDMKE-DNOBIOAJSA-N -1 1 620.724 6.168 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000097969640 553943393 /nfs/dbraw/zinc/94/33/93/553943393.db2.gz BSCVITUIORJHOX-DEOSSOPVSA-N -1 1 576.627 5.137 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097969662 553943467 /nfs/dbraw/zinc/94/34/67/553943467.db2.gz SDXDZPKDVSRHBZ-AREMUKBSSA-N -1 1 556.640 6.157 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097969671 553943733 /nfs/dbraw/zinc/94/37/33/553943733.db2.gz RDABOWVQNHDTEO-NSYGIPOTSA-N -1 1 576.671 5.913 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097969671 553943734 /nfs/dbraw/zinc/94/37/34/553943734.db2.gz RDABOWVQNHDTEO-NSYGIPOTSA-N -1 1 576.671 5.913 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097969668 553943739 /nfs/dbraw/zinc/94/37/39/553943739.db2.gz RDABOWVQNHDTEO-SSOJOUAXSA-N -1 1 576.671 5.913 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097969668 553943742 /nfs/dbraw/zinc/94/37/42/553943742.db2.gz RDABOWVQNHDTEO-SSOJOUAXSA-N -1 1 576.671 5.913 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000097969719 553944079 /nfs/dbraw/zinc/94/40/79/553944079.db2.gz NHBWAXIXIVDWAL-VWLOTQADSA-N -1 1 590.654 5.527 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969790 553944958 /nfs/dbraw/zinc/94/49/58/553944958.db2.gz FHRFIGQRYJQXFE-CHAGWJKLSA-N -1 1 602.665 5.827 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969790 553944960 /nfs/dbraw/zinc/94/49/60/553944960.db2.gz FHRFIGQRYJQXFE-CHAGWJKLSA-N -1 1 602.665 5.827 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000097969803 553945002 /nfs/dbraw/zinc/94/50/02/553945002.db2.gz UCCKLFPPYMMVCR-VWLOTQADSA-N -1 1 572.614 6.048 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969799 553945033 /nfs/dbraw/zinc/94/50/33/553945033.db2.gz AMHBIEZHIKSDKD-WENCNXQZSA-N -1 1 675.804 7.653 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969782 553945085 /nfs/dbraw/zinc/94/50/85/553945085.db2.gz MURYTZLSDOZNHE-PVAZPRTOSA-N -1 1 677.848 8.515 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969825 553945479 /nfs/dbraw/zinc/94/54/79/553945479.db2.gz OWHLHBIBEKTIQW-WGDIFIGCSA-N -1 1 620.152 6.989 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969816 553945550 /nfs/dbraw/zinc/94/55/50/553945550.db2.gz XOHKPPDYFSDTPN-KEEVHDRGSA-N -1 1 598.721 7.207 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969829 553945600 /nfs/dbraw/zinc/94/56/00/553945600.db2.gz DXDSHLHFSQDNSQ-XRHLQHRESA-N -1 1 617.724 6.865 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097969843 553945827 /nfs/dbraw/zinc/94/58/27/553945827.db2.gz WKCNMFXHARNBTE-LMKMVOKYSA-N -1 1 592.670 5.532 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097969843 553945830 /nfs/dbraw/zinc/94/58/30/553945830.db2.gz WKCNMFXHARNBTE-LMKMVOKYSA-N -1 1 592.670 5.532 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969920 553946803 /nfs/dbraw/zinc/94/68/03/553946803.db2.gz DVIDBKNAHDZCTD-VKGTZQKMSA-N -1 1 632.735 6.478 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969920 553946806 /nfs/dbraw/zinc/94/68/06/553946806.db2.gz DVIDBKNAHDZCTD-VKGTZQKMSA-N -1 1 632.735 6.478 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097969916 553946883 /nfs/dbraw/zinc/94/68/83/553946883.db2.gz YTFPWTVVRGOFTG-WINIVTDRSA-N -1 1 602.709 6.470 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097969916 553946884 /nfs/dbraw/zinc/94/68/84/553946884.db2.gz YTFPWTVVRGOFTG-WINIVTDRSA-N -1 1 602.709 6.470 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097969925 553946918 /nfs/dbraw/zinc/94/69/18/553946918.db2.gz FGLZXLOMFNFYIO-HKBQPEDESA-N -1 1 655.128 7.482 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097969950 553947391 /nfs/dbraw/zinc/94/73/91/553947391.db2.gz WAMPXBLPDXESLM-GDLZYMKVSA-N -1 1 592.629 6.651 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097969975 553947685 /nfs/dbraw/zinc/94/76/85/553947685.db2.gz HPIFBDUJHKNDTA-QWXGXRTQSA-N -1 1 558.612 5.428 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097969973 553947733 /nfs/dbraw/zinc/94/77/33/553947733.db2.gz HPIFBDUJHKNDTA-HAWMADMCSA-N -1 1 558.612 5.428 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097970018 553948171 /nfs/dbraw/zinc/94/81/71/553948171.db2.gz WVGIFWNHSUAYPB-GDLZYMKVSA-N -1 1 640.714 6.482 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970048 553948377 /nfs/dbraw/zinc/94/83/77/553948377.db2.gz MIZNNHGNNNFTBP-WENCNXQZSA-N -1 1 598.721 7.370 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970050 553948560 /nfs/dbraw/zinc/94/85/60/553948560.db2.gz MIZNNHGNNNFTBP-PRAQEBQASA-N -1 1 598.721 7.370 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000097970027 553948669 /nfs/dbraw/zinc/94/86/69/553948669.db2.gz HDDYFAXHNWBCIC-CPJLOUKISA-N -1 1 575.484 6.782 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970070 553949017 /nfs/dbraw/zinc/94/90/17/553949017.db2.gz SBZKPZYBOOEQJZ-VWLOTQADSA-N -1 1 592.670 5.751 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970108 553949481 /nfs/dbraw/zinc/94/94/81/553949481.db2.gz BWIBUNQXSIOJBN-NDEPHWFRSA-N -1 1 586.666 6.428 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970108 553949483 /nfs/dbraw/zinc/94/94/83/553949483.db2.gz BWIBUNQXSIOJBN-NDEPHWFRSA-N -1 1 586.666 6.428 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970089 553949569 /nfs/dbraw/zinc/94/95/69/553949569.db2.gz ZNGDINUGIZESKQ-ADXZGYQBSA-N -1 1 649.750 6.877 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970086 553949643 /nfs/dbraw/zinc/94/96/43/553949643.db2.gz ZNGDINUGIZESKQ-XBBWARJSSA-N -1 1 649.750 6.877 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970113 553949651 /nfs/dbraw/zinc/94/96/51/553949651.db2.gz XTZZZZDKMWQPDM-XRHLQHRESA-N -1 1 617.724 6.865 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970124 553949917 /nfs/dbraw/zinc/94/99/17/553949917.db2.gz DEDRDSFMKAOMOW-XHCCPWGMSA-N -1 1 599.734 6.644 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970135 553950171 /nfs/dbraw/zinc/95/01/71/553950171.db2.gz HSCWZHWQCOIECU-SOKVYYICSA-N -1 1 575.086 7.235 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970135 553950174 /nfs/dbraw/zinc/95/01/74/553950174.db2.gz HSCWZHWQCOIECU-SOKVYYICSA-N -1 1 575.086 7.235 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000097970162 553950398 /nfs/dbraw/zinc/95/03/98/553950398.db2.gz VKGAEKLAXDFNPT-ROTAYESASA-N -1 1 689.831 7.899 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970156 553950467 /nfs/dbraw/zinc/95/04/67/553950467.db2.gz IMYGHNOCBHLWCD-YHAMSUFESA-N -1 1 576.671 5.948 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970156 553950468 /nfs/dbraw/zinc/95/04/68/553950468.db2.gz IMYGHNOCBHLWCD-YHAMSUFESA-N -1 1 576.671 5.948 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970151 553950473 /nfs/dbraw/zinc/95/04/73/553950473.db2.gz MTKXQTKARLKASV-JMQGSBJISA-N -1 1 647.750 6.873 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970270 553951727 /nfs/dbraw/zinc/95/17/27/553951727.db2.gz FXEUSOROWBRCKS-FYSMJZIKSA-N -1 1 562.644 5.523 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970270 553951730 /nfs/dbraw/zinc/95/17/30/553951730.db2.gz FXEUSOROWBRCKS-FYSMJZIKSA-N -1 1 562.644 5.523 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097970257 553951751 /nfs/dbraw/zinc/95/17/51/553951751.db2.gz HOBSWOPKKAONSB-KWMCUTETSA-N -1 1 568.695 7.099 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000097970296 553952042 /nfs/dbraw/zinc/95/20/42/553952042.db2.gz CYHPWIIOKUJGLE-WYOOIXGGSA-N -1 1 691.831 7.914 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970312 553952382 /nfs/dbraw/zinc/95/23/82/553952382.db2.gz YIWDSJGZLXQJHD-DWXRJYCRSA-N -1 1 590.698 6.304 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970312 553952384 /nfs/dbraw/zinc/95/23/84/553952384.db2.gz YIWDSJGZLXQJHD-DWXRJYCRSA-N -1 1 590.698 6.304 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000097970329 553952484 /nfs/dbraw/zinc/95/24/84/553952484.db2.gz HBUNGEMVEMRKAO-QMTYFTJSSA-N -1 1 572.639 5.737 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097970337 553952891 /nfs/dbraw/zinc/95/28/91/553952891.db2.gz QZVFJGIRBUQFFQ-KWMCUTETSA-N -1 1 554.668 6.925 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970355 553952919 /nfs/dbraw/zinc/95/29/19/553952919.db2.gz FEDSZVVEADCJKH-MYUZEXMDSA-N -1 1 601.725 7.199 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970355 553952921 /nfs/dbraw/zinc/95/29/21/553952921.db2.gz FEDSZVVEADCJKH-MYUZEXMDSA-N -1 1 601.725 7.199 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097970407 553953660 /nfs/dbraw/zinc/95/36/60/553953660.db2.gz KZIHFEIHDFKNLJ-JRPXNJEYSA-N -1 1 657.814 7.514 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097970406 553953760 /nfs/dbraw/zinc/95/37/60/553953760.db2.gz KZIHFEIHDFKNLJ-URAOTHONSA-N -1 1 657.814 7.514 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970416 553953809 /nfs/dbraw/zinc/95/38/09/553953809.db2.gz UYTIXVIHQMTKSH-DNOBIOAJSA-N -1 1 618.180 7.714 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970416 553953812 /nfs/dbraw/zinc/95/38/12/553953812.db2.gz UYTIXVIHQMTKSH-DNOBIOAJSA-N -1 1 618.180 7.714 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097970473 553954552 /nfs/dbraw/zinc/95/45/52/553954552.db2.gz IBOQZXDXKMPDEA-XRHLQHRESA-N -1 1 618.180 7.714 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097970473 553954557 /nfs/dbraw/zinc/95/45/57/553954557.db2.gz IBOQZXDXKMPDEA-XRHLQHRESA-N -1 1 618.180 7.714 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097970506 553954975 /nfs/dbraw/zinc/95/49/75/553954975.db2.gz KMFMJBVZHCWPCZ-MUUNZHRXSA-N -1 1 642.686 5.770 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970541 553955597 /nfs/dbraw/zinc/95/55/97/553955597.db2.gz NEXGSQATWVFRKW-ACSYHNTCSA-N -1 1 643.787 7.043 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970519 553955626 /nfs/dbraw/zinc/95/56/26/553955626.db2.gz ZOZJOXPVHOSPKB-AFJIDDCJSA-N -1 1 622.699 6.480 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970519 553955628 /nfs/dbraw/zinc/95/56/28/553955628.db2.gz ZOZJOXPVHOSPKB-AFJIDDCJSA-N -1 1 622.699 6.480 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970547 553955644 /nfs/dbraw/zinc/95/56/44/553955644.db2.gz PLFISMGMIUOJHY-AREMUKBSSA-N -1 1 574.611 5.266 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970564 553955848 /nfs/dbraw/zinc/95/58/48/553955848.db2.gz GZRSESOBCJBNCF-ROTAYESASA-N -1 1 706.286 8.558 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970550 553955882 /nfs/dbraw/zinc/95/58/82/553955882.db2.gz MDRZDNAPJYGKIQ-LJAQVGFWSA-N -1 1 600.693 6.655 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970556 553955906 /nfs/dbraw/zinc/95/59/06/553955906.db2.gz IYRVJJSGINNTQC-WENCNXQZSA-N -1 1 598.721 7.145 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970571 553956067 /nfs/dbraw/zinc/95/60/67/553956067.db2.gz TUCLUXDKWNPQBZ-JMQGSBJISA-N -1 1 589.113 7.481 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970571 553956070 /nfs/dbraw/zinc/95/60/70/553956070.db2.gz TUCLUXDKWNPQBZ-JMQGSBJISA-N -1 1 589.113 7.481 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097970614 553956425 /nfs/dbraw/zinc/95/64/25/553956425.db2.gz QOUZDBZMIDPHES-MYUZEXMDSA-N -1 1 620.724 6.312 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970643 553956765 /nfs/dbraw/zinc/95/67/65/553956765.db2.gz NHIXYHRVZMFILZ-SLQAJWMNSA-N -1 1 584.694 6.980 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970622 553956791 /nfs/dbraw/zinc/95/67/91/553956791.db2.gz GUKXCQXNWWDRCV-SANMLTNESA-N -1 1 560.628 5.812 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970667 553957250 /nfs/dbraw/zinc/95/72/50/553957250.db2.gz AAKXMQAMMXKXDO-LJAQVGFWSA-N -1 1 616.692 6.437 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970679 553957524 /nfs/dbraw/zinc/95/75/24/553957524.db2.gz NXRVYOJURONNTG-CLYVBNDRSA-N -1 1 615.708 6.641 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970716 553957805 /nfs/dbraw/zinc/95/78/05/553957805.db2.gz SIVQTGCMDKITIU-NGOKVRLYSA-N -1 1 613.761 7.034 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000097970720 553958046 /nfs/dbraw/zinc/95/80/46/553958046.db2.gz IETXFNQHGFZMEB-ROTAYESASA-N -1 1 706.286 8.414 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097970931 553959629 /nfs/dbraw/zinc/95/96/29/553959629.db2.gz KHMSAIUTQMDMLV-NDEPHWFRSA-N -1 1 628.703 6.403 50 30 KKEAMM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(OCC)cc2)cc1 ZINC000097990097 554028160 /nfs/dbraw/zinc/02/81/60/554028160.db2.gz WSXUUFNOOYYNNH-UHFFFAOYSA-N -1 1 614.775 5.118 50 30 KKEAMM CCCCNC([O-])=NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(OCC)cc2)cc1 ZINC000097990097 554028163 /nfs/dbraw/zinc/02/81/63/554028163.db2.gz WSXUUFNOOYYNNH-UHFFFAOYSA-N -1 1 614.775 5.118 50 30 KKEAMM COC(=O)[C@]([N-]c1nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2s1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000097999890 554046841 /nfs/dbraw/zinc/04/68/41/554046841.db2.gz FWNHESCTZLKJBR-GOSISDBHSA-N -1 1 644.299 6.189 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000098046349 554137895 /nfs/dbraw/zinc/13/78/95/554137895.db2.gz ORGHLBVVKYEQGC-HSZRJFAPSA-N -1 1 565.047 6.104 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000098046442 554139034 /nfs/dbraw/zinc/13/90/34/554139034.db2.gz CHSCVLUOOCISRL-RUZDIDTESA-N -1 1 575.687 6.931 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000098046456 554139307 /nfs/dbraw/zinc/13/93/07/554139307.db2.gz UOWCWSBBVQFKHP-RUZDIDTESA-N -1 1 636.593 7.555 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046458 554139494 /nfs/dbraw/zinc/13/94/94/554139494.db2.gz ZRBUZNOTBQPFLT-RUZDIDTESA-N -1 1 626.587 8.099 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046493 554139815 /nfs/dbraw/zinc/13/98/15/554139815.db2.gz UXTFAYKPPMMVNU-PMERELPUSA-N -1 1 669.756 7.349 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1F ZINC000098046511 554139828 /nfs/dbraw/zinc/13/98/28/554139828.db2.gz HFQVYDGFSMIGAH-SANMLTNESA-N -1 1 708.587 7.391 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046491 554139995 /nfs/dbraw/zinc/13/99/95/554139995.db2.gz PYEFWAUTOVLGCH-DEOSSOPVSA-N -1 1 612.104 6.813 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098046543 554140278 /nfs/dbraw/zinc/14/02/78/554140278.db2.gz YQSWMJVEXHMOSJ-GDLZYMKVSA-N -1 1 659.761 8.076 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046529 554140322 /nfs/dbraw/zinc/14/03/22/554140322.db2.gz CAYMKLVWFMEVCS-AREMUKBSSA-N -1 1 616.120 7.578 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(Br)c2)s1 ZINC000098046677 554142405 /nfs/dbraw/zinc/14/24/05/554142405.db2.gz XRRNHWWTPCOJSK-XMMPIXPASA-N -1 1 576.472 6.279 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098046848 554144389 /nfs/dbraw/zinc/14/43/89/554144389.db2.gz XCOOUSFNTAVADR-HSZRJFAPSA-N -1 1 563.632 5.770 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098046849 554144460 /nfs/dbraw/zinc/14/44/60/554144460.db2.gz XCOOUSFNTAVADR-QHCPKHFHSA-N -1 1 563.632 5.770 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000098047050 554145988 /nfs/dbraw/zinc/14/59/88/554145988.db2.gz XOTCKXSCVGPBTK-OAQYLSRUSA-N -1 1 541.025 5.772 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1C ZINC000098047049 554146174 /nfs/dbraw/zinc/14/61/74/554146174.db2.gz FVFLRWUYBGXMDM-NRFANRHFSA-N -1 1 541.025 5.772 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccco2)cc1F ZINC000098047264 554148474 /nfs/dbraw/zinc/14/84/74/554148474.db2.gz HWVCZUMFYDRSII-DEOSSOPVSA-N -1 1 573.627 6.507 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047380 554150126 /nfs/dbraw/zinc/15/01/26/554150126.db2.gz GKSNXVRPTXSSGA-MUUNZHRXSA-N -1 1 613.805 8.090 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047380 554150128 /nfs/dbraw/zinc/15/01/28/554150128.db2.gz GKSNXVRPTXSSGA-MUUNZHRXSA-N -1 1 613.805 8.090 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000098047379 554150180 /nfs/dbraw/zinc/15/01/80/554150180.db2.gz HWZZRCJBABNDPG-VWLOTQADSA-N -1 1 592.142 7.446 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccs2)cc1F ZINC000098047392 554150489 /nfs/dbraw/zinc/15/04/89/554150489.db2.gz KMWQOFWZFBCZLI-HXUWFJFHSA-N -1 1 523.636 6.122 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000098047411 554150535 /nfs/dbraw/zinc/15/05/35/554150535.db2.gz VKVLTUICXKWTJV-PMERELPUSA-N -1 1 643.831 8.361 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047407 554150636 /nfs/dbraw/zinc/15/06/36/554150636.db2.gz KZTSRKMUBCXLGF-NDEPHWFRSA-N -1 1 620.768 7.405 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1 ZINC000098047409 554150647 /nfs/dbraw/zinc/15/06/47/554150647.db2.gz HAWOPXIWATYVCJ-LJAQVGFWSA-N -1 1 634.795 7.795 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047428 554150882 /nfs/dbraw/zinc/15/08/82/554150882.db2.gz JPOVYJNPCMYYQF-GDLZYMKVSA-N -1 1 664.249 8.625 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098047449 554150898 /nfs/dbraw/zinc/15/08/98/554150898.db2.gz ALUXRDYSFCUACS-LJAQVGFWSA-N -1 1 661.777 7.505 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000098047422 554150949 /nfs/dbraw/zinc/15/09/49/554150949.db2.gz PBMXAJSUUXQDBA-SSEXGKCCSA-N -1 1 661.821 8.500 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047450 554151425 /nfs/dbraw/zinc/15/14/25/554151425.db2.gz UGEMIUZOVBSZDM-GDLZYMKVSA-N -1 1 645.803 7.508 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047467 554151445 /nfs/dbraw/zinc/15/14/45/554151445.db2.gz BSGQBJRBKLSKTH-YTTGMZPUSA-N -1 1 698.266 9.025 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047459 554151473 /nfs/dbraw/zinc/15/14/73/554151473.db2.gz GKQDXKKZQAVGFU-NDEPHWFRSA-N -1 1 627.694 7.992 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047538 554152252 /nfs/dbraw/zinc/15/22/52/554152252.db2.gz ZAAKNRNBOLDEDW-MUUNZHRXSA-N -1 1 644.149 8.507 50 30 KKEAMM CCCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098047549 554152727 /nfs/dbraw/zinc/15/27/27/554152727.db2.gz MXBWJXHAUYDPMY-MGBGTMOVSA-N -1 1 701.911 9.150 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OCC ZINC000098047555 554152751 /nfs/dbraw/zinc/15/27/51/554152751.db2.gz BGBCRJQSCLMQOD-WJOKGBTCSA-N -1 1 678.848 8.194 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047587 554153088 /nfs/dbraw/zinc/15/30/88/554153088.db2.gz CJSYEGQWQJGPOG-WJOKGBTCSA-N -1 1 708.302 9.023 50 30 KKEAMM CCCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098047577 554153138 /nfs/dbraw/zinc/15/31/38/554153138.db2.gz VYYJYGIPNDIVSW-MGBGTMOVSA-N -1 1 719.901 9.289 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047601 554153354 /nfs/dbraw/zinc/15/33/54/554153354.db2.gz FXPKIFNQBLOIJL-RUZDIDTESA-N -1 1 637.139 7.354 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047627 554153393 /nfs/dbraw/zinc/15/33/93/554153393.db2.gz UFRQAYFGHVMZRK-WJOKGBTCSA-N -1 1 691.847 8.509 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047617 554153629 /nfs/dbraw/zinc/15/36/29/554153629.db2.gz CWWPAMMHLNCKLT-JGCGQSQUSA-N -1 1 687.884 8.534 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047640 554154041 /nfs/dbraw/zinc/15/40/41/554154041.db2.gz IFZVUVWXDGRIHF-MHZLTWQESA-N -1 1 665.765 6.957 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047683 554154394 /nfs/dbraw/zinc/15/43/94/554154394.db2.gz YEBLCYVNCHHCSE-WJOKGBTCSA-N -1 1 708.302 8.879 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000098047710 554154948 /nfs/dbraw/zinc/15/49/48/554154948.db2.gz FTRJXKUAFXLTQQ-UMSFTDKQSA-N -1 1 703.817 8.802 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047724 554154981 /nfs/dbraw/zinc/15/49/81/554154981.db2.gz IQCIFSBJYXWLFJ-PMERELPUSA-N -1 1 655.773 8.093 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047731 554155332 /nfs/dbraw/zinc/15/53/32/554155332.db2.gz HAJCPLARIOWHGV-JGCGQSQUSA-N -1 1 675.763 8.707 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047749 554155353 /nfs/dbraw/zinc/15/53/53/554155353.db2.gz GSPSTEKGDGUNIO-HHHXNRCGSA-N -1 1 597.693 7.223 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C)cc2)cc1F ZINC000098047742 554155428 /nfs/dbraw/zinc/15/54/28/554155428.db2.gz AZSIWHXXZGASCX-MHZLTWQESA-N -1 1 597.693 7.223 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098047783 554155769 /nfs/dbraw/zinc/15/57/69/554155769.db2.gz DTCGEQMUDBZVJF-GDLZYMKVSA-N -1 1 685.780 6.810 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047776 554155784 /nfs/dbraw/zinc/15/57/84/554155784.db2.gz QKAVHUGJQHPMSD-LJAQVGFWSA-N -1 1 623.731 7.779 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047789 554156338 /nfs/dbraw/zinc/15/63/38/554156338.db2.gz HTICTZBGZVGKJP-SSEXGKCCSA-N -1 1 651.766 7.349 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2)cc1F ZINC000098047836 554156653 /nfs/dbraw/zinc/15/66/53/554156653.db2.gz MZYLPVZNQIAZGJ-SANMLTNESA-N -1 1 567.667 7.214 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047825 554156714 /nfs/dbraw/zinc/15/67/14/554156714.db2.gz QLFAAVFSDKHMEJ-MUUNZHRXSA-N -1 1 611.720 7.613 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047823 554156789 /nfs/dbraw/zinc/15/67/89/554156789.db2.gz NIAAISUECNGYGC-WJOKGBTCSA-N -1 1 669.800 8.402 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048053 554159166 /nfs/dbraw/zinc/15/91/66/554159166.db2.gz GSRJQQLWQPBHII-SGANQWHYSA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048053 554159169 /nfs/dbraw/zinc/15/91/69/554159169.db2.gz GSRJQQLWQPBHII-SGANQWHYSA-N -1 1 530.577 5.940 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000098050344 554173944 /nfs/dbraw/zinc/17/39/44/554173944.db2.gz ATHCKGPPIMQGDJ-XMMPIXPASA-N -1 1 560.672 6.192 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000098050336 554174079 /nfs/dbraw/zinc/17/40/79/554174079.db2.gz JFNAWINUBDSSKT-XMMPIXPASA-N -1 1 546.645 6.018 50 30 KKEAMM CCCCCCCCn1c2ccccc2nc1/N=C/c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000050704718 554327616 /nfs/dbraw/zinc/32/76/16/554327616.db2.gz ZPFAHBIJRXCVTF-JBASAIQMSA-N -1 1 502.684 7.257 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000053276038 554330675 /nfs/dbraw/zinc/33/06/75/554330675.db2.gz JIMPHZVSIVMXET-APYJYERMSA-N -1 1 584.625 5.256 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053290102 554331216 /nfs/dbraw/zinc/33/12/16/554331216.db2.gz OYGFILRNYKXEHY-IBGZPJMESA-N -1 1 547.416 5.645 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053291241 554331506 /nfs/dbraw/zinc/33/15/06/554331506.db2.gz YGAJDMZKOBQSQV-OAQYLSRUSA-N -1 1 520.588 5.326 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053291619 554331890 /nfs/dbraw/zinc/33/18/90/554331890.db2.gz KZGBXDNKIYTPCM-LJQANCHMSA-N -1 1 557.422 5.101 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000053291955 554332024 /nfs/dbraw/zinc/33/20/24/554332024.db2.gz UFVXJSUSGBPEOB-QFIPXVFZSA-N -1 1 522.604 5.557 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000053291831 554332053 /nfs/dbraw/zinc/33/20/53/554332053.db2.gz KIUOSQCJIGFTQF-VWLOTQADSA-N -1 1 527.602 5.525 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000053291829 554332145 /nfs/dbraw/zinc/33/21/45/554332145.db2.gz KIUOSQCJIGFTQF-RUZDIDTESA-N -1 1 527.602 5.525 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000053292176 554332247 /nfs/dbraw/zinc/33/22/47/554332247.db2.gz DBLVHZDETBYRKD-HXUWFJFHSA-N -1 1 531.175 6.134 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053292054 554332302 /nfs/dbraw/zinc/33/23/02/554332302.db2.gz DTQMJHDGTFBGET-JOCHJYFZSA-N -1 1 569.864 6.894 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053306256 554333528 /nfs/dbraw/zinc/33/35/28/554333528.db2.gz GAFQZEOTGZVCKK-QFIPXVFZSA-N -1 1 553.409 6.380 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000053306316 554333879 /nfs/dbraw/zinc/33/38/79/554333879.db2.gz QZVFJGIRBUQFFQ-JMQGSBJISA-N -1 1 554.668 6.925 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053306594 554333954 /nfs/dbraw/zinc/33/39/54/554333954.db2.gz QPYRHDIMAVDPLN-HXUWFJFHSA-N -1 1 561.443 6.035 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053306525 554334069 /nfs/dbraw/zinc/33/40/69/554334069.db2.gz GHCCEYULCOYILE-JOCHJYFZSA-N -1 1 551.418 5.859 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053306503 554334095 /nfs/dbraw/zinc/33/40/95/554334095.db2.gz GNFQORWHTZHRIM-MYYSRTQBSA-N -1 1 561.457 6.474 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306662 554334241 /nfs/dbraw/zinc/33/42/41/554334241.db2.gz KUNFFFTYTVZEEV-HSZRJFAPSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306662 554334244 /nfs/dbraw/zinc/33/42/44/554334244.db2.gz KUNFFFTYTVZEEV-HSZRJFAPSA-N -1 1 549.446 6.549 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053306650 554334305 /nfs/dbraw/zinc/33/43/05/554334305.db2.gz QFHZIBIAMOAKLM-NRFANRHFSA-N -1 1 523.383 6.289 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053306749 554334371 /nfs/dbraw/zinc/33/43/71/554334371.db2.gz IDCTYBZKGWSICG-AKJBCIBTSA-N -1 1 561.059 6.845 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053306749 554334376 /nfs/dbraw/zinc/33/43/76/554334376.db2.gz IDCTYBZKGWSICG-AKJBCIBTSA-N -1 1 561.059 6.845 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053306945 554334755 /nfs/dbraw/zinc/33/47/55/554334755.db2.gz PWUPZNCWCKFNEC-HSZRJFAPSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053306945 554334758 /nfs/dbraw/zinc/33/47/58/554334758.db2.gz PWUPZNCWCKFNEC-HSZRJFAPSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000053308030 554335444 /nfs/dbraw/zinc/33/54/44/554335444.db2.gz RIPKKAHNVKIWPU-QFIPXVFZSA-N -1 1 525.399 5.916 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053307702 554335498 /nfs/dbraw/zinc/33/54/98/554335498.db2.gz LTIRHCYVDPAIGS-RUZDIDTESA-N -1 1 530.621 6.915 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053307679 554335522 /nfs/dbraw/zinc/33/55/22/554335522.db2.gz OGMIPQYRLHSDOX-HSZRJFAPSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053307679 554335524 /nfs/dbraw/zinc/33/55/24/554335524.db2.gz OGMIPQYRLHSDOX-HSZRJFAPSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053319139 554336360 /nfs/dbraw/zinc/33/63/60/554336360.db2.gz MABUGCGPXXNHPR-HXUWFJFHSA-N -1 1 571.449 5.491 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000053319266 554336962 /nfs/dbraw/zinc/33/69/62/554336962.db2.gz FDZRNWYAFWRNEW-HXUWFJFHSA-N -1 1 527.346 6.120 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053319411 554337995 /nfs/dbraw/zinc/33/79/95/554337995.db2.gz ZHHAGKOIHDLONR-AREMUKBSSA-N -1 1 542.613 5.948 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000053319467 554338345 /nfs/dbraw/zinc/33/83/45/554338345.db2.gz LSZKZWFLTRCEGO-SANMLTNESA-N -1 1 598.633 5.371 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053319474 554338387 /nfs/dbraw/zinc/33/83/87/554338387.db2.gz JCGYBDPBRZBXCE-RUZDIDTESA-N -1 1 528.630 6.394 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053334128 554339904 /nfs/dbraw/zinc/33/99/04/554339904.db2.gz DCXWAQAXIJPFOJ-SANMLTNESA-N -1 1 558.612 5.648 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053334128 554339907 /nfs/dbraw/zinc/33/99/07/554339907.db2.gz DCXWAQAXIJPFOJ-SANMLTNESA-N -1 1 558.612 5.648 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053333596 554339912 /nfs/dbraw/zinc/33/99/12/554339912.db2.gz GFQUIQMJYATKQI-SANMLTNESA-N -1 1 542.613 5.866 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053334007 554339956 /nfs/dbraw/zinc/33/99/56/554339956.db2.gz OIVIRFWQJWZEHY-XMMPIXPASA-N -1 1 565.047 6.321 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053334007 554339953 /nfs/dbraw/zinc/33/99/53/554339953.db2.gz OIVIRFWQJWZEHY-XMMPIXPASA-N -1 1 565.047 6.321 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053334633 554340250 /nfs/dbraw/zinc/34/02/50/554340250.db2.gz CKYUGYJXNRDXAJ-VWLOTQADSA-N -1 1 528.586 5.476 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053335065 554340574 /nfs/dbraw/zinc/34/05/74/554340574.db2.gz VOJMNMILROOTDZ-AREMUKBSSA-N -1 1 574.611 5.266 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053335065 554340572 /nfs/dbraw/zinc/34/05/72/554340572.db2.gz VOJMNMILROOTDZ-AREMUKBSSA-N -1 1 574.611 5.266 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000053336225 554341398 /nfs/dbraw/zinc/34/13/98/554341398.db2.gz ZUBVYRSUNRFMCB-XMMPIXPASA-N -1 1 543.557 5.375 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000053336225 554341396 /nfs/dbraw/zinc/34/13/96/554341396.db2.gz ZUBVYRSUNRFMCB-XMMPIXPASA-N -1 1 543.557 5.375 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000053336963 554342107 /nfs/dbraw/zinc/34/21/07/554342107.db2.gz AEXNIEADEBBHKL-VWLOTQADSA-N -1 1 544.585 5.258 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000053336963 554342108 /nfs/dbraw/zinc/34/21/08/554342108.db2.gz AEXNIEADEBBHKL-VWLOTQADSA-N -1 1 544.585 5.258 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000053337491 554342319 /nfs/dbraw/zinc/34/23/19/554342319.db2.gz FQRBSHBCPRHLFH-XMMPIXPASA-N -1 1 565.003 5.521 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000053337660 554342485 /nfs/dbraw/zinc/34/24/85/554342485.db2.gz XJXDKTXKUQDRQU-GDLZYMKVSA-N -1 1 576.630 6.951 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053338398 554342838 /nfs/dbraw/zinc/34/28/38/554342838.db2.gz WVPFLNXEWPLLEQ-QHCPKHFHSA-N -1 1 563.429 5.921 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053338398 554342840 /nfs/dbraw/zinc/34/28/40/554342840.db2.gz WVPFLNXEWPLLEQ-QHCPKHFHSA-N -1 1 563.429 5.921 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053339618 554343489 /nfs/dbraw/zinc/34/34/89/554343489.db2.gz VOHFASKICQLUMV-RUZDIDTESA-N -1 1 528.586 5.558 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000053354903 554344555 /nfs/dbraw/zinc/34/45/55/554344555.db2.gz OTHGLGMZZLNBJR-RUZDIDTESA-N -1 1 549.048 6.702 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000053354903 554344558 /nfs/dbraw/zinc/34/45/58/554344558.db2.gz OTHGLGMZZLNBJR-RUZDIDTESA-N -1 1 549.048 6.702 50 30 KKEAMM Cc1cc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])ccc1NC(=O)c1ccccc1 ZINC000100539779 554412810 /nfs/dbraw/zinc/41/28/10/554412810.db2.gz GUJPCXDHTZKYQP-KBVAKVRCSA-N -1 1 533.853 7.710 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000100674875 554443299 /nfs/dbraw/zinc/44/32/99/554443299.db2.gz GNUSEKUPDRAQFO-XMMPIXPASA-N -1 1 627.557 6.989 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000100675312 554443612 /nfs/dbraw/zinc/44/36/12/554443612.db2.gz GQABLEPHWICNLH-VWLOTQADSA-N -1 1 578.687 6.235 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000100675303 554443634 /nfs/dbraw/zinc/44/36/34/554443634.db2.gz FKESLAUHPHKFAJ-RUZDIDTESA-N -1 1 578.687 6.235 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100675297 554443708 /nfs/dbraw/zinc/44/37/08/554443708.db2.gz MDWLEDUBHLDRBT-MHZLTWQESA-N -1 1 590.742 7.350 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100677194 554444214 /nfs/dbraw/zinc/44/42/14/554444214.db2.gz IKVFFZMNHYIOOA-GOSISDBHSA-N -1 1 535.380 5.775 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000100677235 554444224 /nfs/dbraw/zinc/44/42/24/554444224.db2.gz MVAGHKDWIGXSRX-VWLOTQADSA-N -1 1 572.614 6.651 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC)c(OCC)c2)cc1 ZINC000100677309 554444688 /nfs/dbraw/zinc/44/46/88/554444688.db2.gz NRJYWDYVPNQINZ-AREMUKBSSA-N -1 1 608.713 6.387 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100677751 554444692 /nfs/dbraw/zinc/44/46/92/554444692.db2.gz YRCLGOLPILCAQU-RUZDIDTESA-N -1 1 596.677 6.436 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000100677303 554444737 /nfs/dbraw/zinc/44/47/37/554444737.db2.gz IPMCHLYSTKERAQ-XMMPIXPASA-N -1 1 564.660 5.989 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100678331 554445032 /nfs/dbraw/zinc/44/50/32/554445032.db2.gz WNIWCNHPCHFSAU-MHZLTWQESA-N -1 1 622.740 6.633 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000100679408 554445233 /nfs/dbraw/zinc/44/52/33/554445233.db2.gz SCNWSOPEVJMPKU-XMMPIXPASA-N -1 1 610.685 5.616 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000100679422 554445401 /nfs/dbraw/zinc/44/54/01/554445401.db2.gz ABPVTEHGLUEXTL-QFIPXVFZSA-N -1 1 555.052 6.243 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100679729 554445708 /nfs/dbraw/zinc/44/57/08/554445708.db2.gz XWEJUKPOAWWIBU-RUZDIDTESA-N -1 1 562.688 6.713 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000100679896 554445720 /nfs/dbraw/zinc/44/57/20/554445720.db2.gz ZSMUZEZVWQZYGD-DEOSSOPVSA-N -1 1 548.661 6.152 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000100679896 554445721 /nfs/dbraw/zinc/44/57/21/554445721.db2.gz ZSMUZEZVWQZYGD-DEOSSOPVSA-N -1 1 548.661 6.152 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000100680042 554446007 /nfs/dbraw/zinc/44/60/07/554446007.db2.gz RNPZETDORCFWDO-VWLOTQADSA-N -1 1 592.670 5.773 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000100680259 554446048 /nfs/dbraw/zinc/44/60/48/554446048.db2.gz MNYDDVNGEBQEQH-HSZRJFAPSA-N -1 1 534.634 5.762 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000100680259 554446050 /nfs/dbraw/zinc/44/60/50/554446050.db2.gz MNYDDVNGEBQEQH-HSZRJFAPSA-N -1 1 534.634 5.762 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000100680377 554446358 /nfs/dbraw/zinc/44/63/58/554446358.db2.gz MEFJPUUHPPBDOZ-SANMLTNESA-N -1 1 574.699 6.880 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000100680288 554446473 /nfs/dbraw/zinc/44/64/73/554446473.db2.gz LQDUCKHNDXZFAF-VWLOTQADSA-N -1 1 576.715 6.888 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000100680302 554446495 /nfs/dbraw/zinc/44/64/95/554446495.db2.gz DYHKJSMVLKHGAG-VWLOTQADSA-N -1 1 578.687 6.379 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100680708 554446800 /nfs/dbraw/zinc/44/68/00/554446800.db2.gz MZUOWRPJWWECRP-XMMPIXPASA-N -1 1 548.661 6.323 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100680711 554446859 /nfs/dbraw/zinc/44/68/59/554446859.db2.gz MZUOWRPJWWECRP-DEOSSOPVSA-N -1 1 548.661 6.323 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000100681070 554447265 /nfs/dbraw/zinc/44/72/65/554447265.db2.gz KCDLQCHQRNMSTG-HSZRJFAPSA-N -1 1 596.658 5.226 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000100681029 554447269 /nfs/dbraw/zinc/44/72/69/554447269.db2.gz HSBPHUYXEVTIDZ-HSZRJFAPSA-N -1 1 611.514 6.519 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000100736808 554461281 /nfs/dbraw/zinc/46/12/81/554461281.db2.gz CDIYQVLWRRSKEX-QFIPXVFZSA-N -1 1 555.052 6.162 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(Br)c1)c1ccc(Br)cc1 ZINC000101062638 554570618 /nfs/dbraw/zinc/57/06/18/554570618.db2.gz BYRHBTWSPKHJIC-IBOXJLQUSA-N -1 1 520.202 5.294 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc(Br)cc1 ZINC000101062647 554570630 /nfs/dbraw/zinc/57/06/30/554570630.db2.gz AAIBVDHFKMEHPP-HOGKFDNTSA-N -1 1 533.403 6.324 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101069834 554574265 /nfs/dbraw/zinc/57/42/65/554574265.db2.gz FDYIUEAGIPLPJR-IAMBOQNYSA-N -1 1 537.410 6.441 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000101069856 554574436 /nfs/dbraw/zinc/57/44/36/554574436.db2.gz PKYYTVTWCMHJJF-OBVHCKHUSA-N -1 1 523.408 6.203 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069794 554574460 /nfs/dbraw/zinc/57/44/60/554574460.db2.gz XBQQTKAEKDEPEB-MRJHHRETSA-N -1 1 505.393 5.994 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069944 554574662 /nfs/dbraw/zinc/57/46/62/554574662.db2.gz NWNQWXHPGZIJCY-YDJIHCHBSA-N -1 1 502.286 6.094 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072989 554576529 /nfs/dbraw/zinc/57/65/29/554576529.db2.gz QUVMCKCONUXHRG-UVDRRRQGSA-N -1 1 577.456 6.073 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072989 554576531 /nfs/dbraw/zinc/57/65/31/554576531.db2.gz QUVMCKCONUXHRG-UVDRRRQGSA-N -1 1 577.456 6.073 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072999 554576594 /nfs/dbraw/zinc/57/65/94/554576594.db2.gz YERGFBURMABQGZ-QOJBNDRUSA-N -1 1 525.449 6.363 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072999 554576595 /nfs/dbraw/zinc/57/65/95/554576595.db2.gz YERGFBURMABQGZ-QOJBNDRUSA-N -1 1 525.449 6.363 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101072871 554576601 /nfs/dbraw/zinc/57/66/01/554576601.db2.gz HHBGQWIECMFSEY-YDJIHCHBSA-N -1 1 509.356 5.824 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101100186 554586820 /nfs/dbraw/zinc/58/68/20/554586820.db2.gz MYUZHLVCPZNIHK-JBCNATCCSA-N -1 1 523.383 6.133 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000101101515 554638755 /nfs/dbraw/zinc/63/87/55/554638755.db2.gz OYMKBCJPRIGTDE-AYWGPLOBSA-N -1 1 563.429 5.765 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000101101515 554638757 /nfs/dbraw/zinc/63/87/57/554638757.db2.gz OYMKBCJPRIGTDE-AYWGPLOBSA-N -1 1 563.429 5.765 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101658 554638847 /nfs/dbraw/zinc/63/88/47/554638847.db2.gz ZYNBLMOPVCIKHY-QOJBNDRUSA-N -1 1 525.449 6.363 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101658 554638850 /nfs/dbraw/zinc/63/88/50/554638850.db2.gz ZYNBLMOPVCIKHY-QOJBNDRUSA-N -1 1 525.449 6.363 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000101276737 554702951 /nfs/dbraw/zinc/70/29/51/554702951.db2.gz BJWROTHVTQRQNC-MRJHHRETSA-N -1 1 573.454 6.044 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276790 554703214 /nfs/dbraw/zinc/70/32/14/554703214.db2.gz BGIIRRBXPGSAHO-NSOCNUKWSA-N -1 1 616.692 5.708 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276790 554703216 /nfs/dbraw/zinc/70/32/16/554703216.db2.gz BGIIRRBXPGSAHO-NSOCNUKWSA-N -1 1 616.692 5.708 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000101277578 554704010 /nfs/dbraw/zinc/70/40/10/554704010.db2.gz IFUVJNRFWVDOEH-MRJHHRETSA-N -1 1 583.460 5.500 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277729 554704280 /nfs/dbraw/zinc/70/42/80/554704280.db2.gz RLGDCJMKYZHUEJ-OTQMSCLFSA-N -1 1 558.656 5.867 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000101278094 554704466 /nfs/dbraw/zinc/70/44/66/554704466.db2.gz NJMQCYIUAGVBQR-AYWGPLOBSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000101278094 554704467 /nfs/dbraw/zinc/70/44/67/554704467.db2.gz NJMQCYIUAGVBQR-AYWGPLOBSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000101278263 554704785 /nfs/dbraw/zinc/70/47/85/554704785.db2.gz LYCUUFSXCMGENA-ONQGDUAMSA-N -1 1 625.659 6.216 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000101278222 554704919 /nfs/dbraw/zinc/70/49/19/554704919.db2.gz LJXBQFNXDZLCPG-JVZIKCOHSA-N -1 1 551.020 5.397 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101293998 554710669 /nfs/dbraw/zinc/71/06/69/554710669.db2.gz YEWPOOWRUBXHDE-NXLSWJSLSA-N -1 1 516.550 5.635 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101294243 554710888 /nfs/dbraw/zinc/71/08/88/554710888.db2.gz MZFYKDGBAYVSFI-RFAFYKRUSA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101294243 554710891 /nfs/dbraw/zinc/71/08/91/554710891.db2.gz MZFYKDGBAYVSFI-RFAFYKRUSA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294354 554711193 /nfs/dbraw/zinc/71/11/93/554711193.db2.gz GZILASWIQHQPMP-ONQGDUAMSA-N -1 1 570.623 5.657 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294354 554711197 /nfs/dbraw/zinc/71/11/97/554711197.db2.gz GZILASWIQHQPMP-ONQGDUAMSA-N -1 1 570.623 5.657 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294263 554711256 /nfs/dbraw/zinc/71/12/56/554711256.db2.gz IYUDZHPKSBRVPZ-XTUFCYCQSA-N -1 1 568.651 6.210 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310299 554717575 /nfs/dbraw/zinc/71/75/75/554717575.db2.gz UYDCIPAVGVGJBP-YZUJGMDRSA-N -1 1 612.704 6.608 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000101316892 554724129 /nfs/dbraw/zinc/72/41/29/554724129.db2.gz OXKIEFSDSZCXRX-ZLYDLHQSSA-N -1 1 597.718 6.345 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000101316971 554724282 /nfs/dbraw/zinc/72/42/82/554724282.db2.gz XPIZKVVEMNGGDW-FZIYRNTBSA-N -1 1 615.708 6.484 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102076824 554875101 /nfs/dbraw/zinc/87/51/01/554875101.db2.gz VLQNBEZUFZVMMW-TXTDGAROSA-N -1 1 570.667 6.427 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102434310 554927547 /nfs/dbraw/zinc/92/75/47/554927547.db2.gz OYQIRVHXOMQAJJ-NXLSWJSLSA-N -1 1 513.575 5.664 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102483863 554937642 /nfs/dbraw/zinc/93/76/42/554937642.db2.gz TZGDNQCBXKYFOK-AYWGPLOBSA-N -1 1 531.546 5.238 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000102484995 554937866 /nfs/dbraw/zinc/93/78/66/554937866.db2.gz LUIQCLQBUUEKDA-MOBKVPTQSA-N -1 1 541.398 5.378 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102487459 554938592 /nfs/dbraw/zinc/93/85/92/554938592.db2.gz WQIHIJVMUBQAGI-MOBKVPTQSA-N -1 1 508.502 5.218 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102487409 554938618 /nfs/dbraw/zinc/93/86/18/554938618.db2.gz KTNCHXMKEAOSFG-HOGKFDNTSA-N -1 1 554.983 5.741 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102496652 554940858 /nfs/dbraw/zinc/94/08/58/554940858.db2.gz WEIULRDNBMSTQT-ZHHPLPSFSA-N -1 1 521.013 7.013 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102496652 554940860 /nfs/dbraw/zinc/94/08/60/554940860.db2.gz WEIULRDNBMSTQT-ZHHPLPSFSA-N -1 1 521.013 7.013 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102497394 554941310 /nfs/dbraw/zinc/94/13/10/554941310.db2.gz FXTVAIITJVUOSZ-NPJIAGGLSA-N -1 1 560.628 5.656 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102502252 554943418 /nfs/dbraw/zinc/94/34/18/554943418.db2.gz FGSYWPMYLMFQSO-MRJHHRETSA-N -1 1 539.382 5.833 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000102508715 554945784 /nfs/dbraw/zinc/94/57/84/554945784.db2.gz VAETUBJVTSHTJK-UUALVTFQSA-N -1 1 582.678 6.450 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000102508715 554945786 /nfs/dbraw/zinc/94/57/86/554945786.db2.gz VAETUBJVTSHTJK-UUALVTFQSA-N -1 1 582.678 6.450 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1 ZINC000102514974 554947644 /nfs/dbraw/zinc/94/76/44/554947644.db2.gz IKJUZZKYWIKVJV-JBCNATCCSA-N -1 1 524.570 5.182 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102518281 554949057 /nfs/dbraw/zinc/94/90/57/554949057.db2.gz WMECLYJRJRADKA-KQAPWQHSSA-N -1 1 514.603 5.947 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102523580 554950199 /nfs/dbraw/zinc/95/01/99/554950199.db2.gz MJDPZKASLFYYPY-SBXHHDGASA-N -1 1 500.576 5.638 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102525738 554951886 /nfs/dbraw/zinc/95/18/86/554951886.db2.gz UDXHKGCNAFOZTK-COUQNMRISA-N -1 1 504.995 6.201 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102537371 554956352 /nfs/dbraw/zinc/95/63/52/554956352.db2.gz HWLHOXCCMSGGLI-MOBKVPTQSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102537371 554956353 /nfs/dbraw/zinc/95/63/53/554956353.db2.gz HWLHOXCCMSGGLI-MOBKVPTQSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102542560 554957881 /nfs/dbraw/zinc/95/78/81/554957881.db2.gz WJGPUHIIRWHQDX-NXLSWJSLSA-N -1 1 516.594 6.368 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102543271 554958133 /nfs/dbraw/zinc/95/81/33/554958133.db2.gz YDPAUDRJMSVAMI-CZNAVJSXSA-N -1 1 600.649 5.466 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102542578 554958169 /nfs/dbraw/zinc/95/81/69/554958169.db2.gz NGYUFHBJZIYKQB-MOBKVPTQSA-N -1 1 535.419 6.084 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102544417 554958447 /nfs/dbraw/zinc/95/84/47/554958447.db2.gz BYCWRRVLRIZZRV-CJJGVWJISA-N -1 1 544.629 5.955 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102544535 554958730 /nfs/dbraw/zinc/95/87/30/554958730.db2.gz LLRCBKKAZMGIJC-FBBHDAPUSA-N -1 1 565.478 7.170 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102544535 554958733 /nfs/dbraw/zinc/95/87/33/554958733.db2.gz LLRCBKKAZMGIJC-FBBHDAPUSA-N -1 1 565.478 7.170 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000102545766 554959107 /nfs/dbraw/zinc/95/91/07/554959107.db2.gz DQHAMZZHUJPQHJ-MOBKVPTQSA-N -1 1 549.948 5.255 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102546644 554959532 /nfs/dbraw/zinc/95/95/32/554959532.db2.gz PGLWOUMMOXGRTE-ANCNPBKRSA-N -1 1 581.477 6.952 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102547203 554959596 /nfs/dbraw/zinc/95/95/96/554959596.db2.gz OBHNMASXCXGJEN-IUKMQXEJSA-N -1 1 528.586 5.401 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102547721 554959977 /nfs/dbraw/zinc/95/99/77/554959977.db2.gz PPHSSSXZZLUXAL-SBXHHDGASA-N -1 1 502.567 6.023 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102547721 554959978 /nfs/dbraw/zinc/95/99/78/554959978.db2.gz PPHSSSXZZLUXAL-SBXHHDGASA-N -1 1 502.567 6.023 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000102548419 554960238 /nfs/dbraw/zinc/96/02/38/554960238.db2.gz BTXSXCSASFVQMM-CGKJMNDRSA-N -1 1 528.586 5.350 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102548106 554960264 /nfs/dbraw/zinc/96/02/64/554960264.db2.gz BRTFTJCTAMQURM-YENBHRBSSA-N -1 1 568.695 7.042 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102549668 554961149 /nfs/dbraw/zinc/96/11/49/554961149.db2.gz HUARNRXXQANURB-DHJMZRGKSA-N -1 1 558.612 5.328 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102549869 554961334 /nfs/dbraw/zinc/96/13/34/554961334.db2.gz MYUVHRGEGQOLGL-CWMDRHISSA-N -1 1 572.639 5.662 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102549869 554961336 /nfs/dbraw/zinc/96/13/36/554961336.db2.gz MYUVHRGEGQOLGL-CWMDRHISSA-N -1 1 572.639 5.662 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102552630 554962775 /nfs/dbraw/zinc/96/27/75/554962775.db2.gz FCVZALRKEHZLCE-CJJGVWJISA-N -1 1 514.509 5.336 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102553033 554963157 /nfs/dbraw/zinc/96/31/57/554963157.db2.gz LFCUWFMYFYHXCH-DFXXOVSGSA-N -1 1 586.666 6.271 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102553033 554963159 /nfs/dbraw/zinc/96/31/59/554963159.db2.gz LFCUWFMYFYHXCH-DFXXOVSGSA-N -1 1 586.666 6.271 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102557536 554965229 /nfs/dbraw/zinc/96/52/29/554965229.db2.gz UQZUJGLXYBHBSH-NSOCNUKWSA-N -1 1 540.641 6.343 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102559685 554967088 /nfs/dbraw/zinc/96/70/88/554967088.db2.gz PUMJZQMHRNTNPD-NPJIAGGLSA-N -1 1 528.586 5.401 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102559821 554967278 /nfs/dbraw/zinc/96/72/78/554967278.db2.gz AUDFNXBJNCCLCH-FZIYRNTBSA-N -1 1 554.624 5.680 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102559821 554967281 /nfs/dbraw/zinc/96/72/81/554967281.db2.gz AUDFNXBJNCCLCH-FZIYRNTBSA-N -1 1 554.624 5.680 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102560378 554967642 /nfs/dbraw/zinc/96/76/42/554967642.db2.gz GKNBULDDKPQHPM-VEZPTTSMSA-N -1 1 630.719 6.526 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102563020 554968889 /nfs/dbraw/zinc/96/88/89/554968889.db2.gz PCDGDWLUGBWKLS-IKZPYDRGSA-N -1 1 575.086 7.078 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102563020 554968891 /nfs/dbraw/zinc/96/88/91/554968891.db2.gz PCDGDWLUGBWKLS-IKZPYDRGSA-N -1 1 575.086 7.078 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102563395 554968930 /nfs/dbraw/zinc/96/89/30/554968930.db2.gz SWUDXHAVYUNRGR-HOGKFDNTSA-N -1 1 553.865 6.901 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102572657 554971030 /nfs/dbraw/zinc/97/10/30/554971030.db2.gz JIGOREQASHXBHH-NXLSWJSLSA-N -1 1 591.642 5.376 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102576324 554971565 /nfs/dbraw/zinc/97/15/65/554971565.db2.gz AKIIVLULWONQOS-NPJIAGGLSA-N -1 1 578.643 5.239 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102578771 554971758 /nfs/dbraw/zinc/97/17/58/554971758.db2.gz NKIMSCYZXSSDFA-AYWGPLOBSA-N -1 1 561.616 5.367 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102580518 554972237 /nfs/dbraw/zinc/97/22/37/554972237.db2.gz VBBPRKBXZBXELW-ONQGDUAMSA-N -1 1 606.697 6.019 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102581533 554972599 /nfs/dbraw/zinc/97/25/99/554972599.db2.gz HIIWMOVEWZBIAO-OGHRCCBNSA-N -1 1 589.670 5.928 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102581884 554972708 /nfs/dbraw/zinc/97/27/08/554972708.db2.gz VPNFQZKSJMTAAS-NXLSWJSLSA-N -1 1 608.097 5.890 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102584198 554972781 /nfs/dbraw/zinc/97/27/81/554972781.db2.gz QHRHEBQCXVHLQN-QHCPKHFHSA-N -1 1 566.632 5.223 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102587641 554973612 /nfs/dbraw/zinc/97/36/12/554973612.db2.gz VNRCCDVYPQAPMW-CJJGVWJISA-N -1 1 619.696 6.156 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000102589811 554973858 /nfs/dbraw/zinc/97/38/58/554973858.db2.gz OKBVGDJVMRLNSO-DEGIHATKSA-N -1 1 502.379 5.103 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000102594325 554975413 /nfs/dbraw/zinc/97/54/13/554975413.db2.gz GDQUFWUIGPSXRB-MOBKVPTQSA-N -1 1 517.887 6.002 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102598904 554977386 /nfs/dbraw/zinc/97/73/86/554977386.db2.gz IGHWROWUBAYKIH-AIKCTZLLSA-N -1 1 594.089 6.573 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102603664 554978124 /nfs/dbraw/zinc/97/81/24/554978124.db2.gz FWIIATRYOFKMDJ-NPJIAGGLSA-N -1 1 615.689 5.323 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102606179 554979058 /nfs/dbraw/zinc/97/90/58/554979058.db2.gz KWYMGPGDZMEXFC-QMTYFTJSSA-N -1 1 544.604 6.331 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102606179 554979061 /nfs/dbraw/zinc/97/90/61/554979061.db2.gz KWYMGPGDZMEXFC-QMTYFTJSSA-N -1 1 544.604 6.331 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000102606407 554979281 /nfs/dbraw/zinc/97/92/81/554979281.db2.gz MGRGHVLODSFFMD-HOGKFDNTSA-N -1 1 528.439 5.257 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102615517 554984193 /nfs/dbraw/zinc/98/41/93/554984193.db2.gz SJBARLIUXUSWCH-IZSGBISHSA-N -1 1 616.711 7.209 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102615517 554984197 /nfs/dbraw/zinc/98/41/97/554984197.db2.gz SJBARLIUXUSWCH-IZSGBISHSA-N -1 1 616.711 7.209 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102617066 554984488 /nfs/dbraw/zinc/98/44/88/554984488.db2.gz NLEDXEDYSGBOAT-FSISNWKMSA-N -1 1 543.557 5.163 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102617416 554984808 /nfs/dbraw/zinc/98/48/08/554984808.db2.gz OCIPVPXTHYZOLQ-WYNCGZBVSA-N -1 1 634.751 6.546 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000102622201 554987465 /nfs/dbraw/zinc/98/74/65/554987465.db2.gz GQMSSHKTLODGCW-AYWGPLOBSA-N -1 1 577.615 5.073 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102650910 554995631 /nfs/dbraw/zinc/99/56/31/554995631.db2.gz DWXADWUZUJCYGA-HIAXOSCDSA-N -1 1 540.641 6.262 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102652870 554996790 /nfs/dbraw/zinc/99/67/90/554996790.db2.gz LRFZTOTWTQMKBZ-RGKNCCAESA-N -1 1 556.640 5.967 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102652872 554996862 /nfs/dbraw/zinc/99/68/62/554996862.db2.gz LRFZTOTWTQMKBZ-RXVNBYBTSA-N -1 1 556.640 5.967 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102653487 554997082 /nfs/dbraw/zinc/99/70/82/554997082.db2.gz RWQQUWIIFFJOOS-OFNYXUPYSA-N -1 1 590.698 6.181 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102653487 554997084 /nfs/dbraw/zinc/99/70/84/554997084.db2.gz RWQQUWIIFFJOOS-OFNYXUPYSA-N -1 1 590.698 6.181 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102653551 554997126 /nfs/dbraw/zinc/99/71/26/554997126.db2.gz VLOMKZGINBDUQG-CZNAVJSXSA-N -1 1 600.649 5.466 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102654273 554997775 /nfs/dbraw/zinc/99/77/75/554997775.db2.gz DOBNJMBPYNCHIW-HTUFKCTLSA-N -1 1 561.059 6.688 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102654273 554997776 /nfs/dbraw/zinc/99/77/76/554997776.db2.gz DOBNJMBPYNCHIW-HTUFKCTLSA-N -1 1 561.059 6.688 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102655456 554998271 /nfs/dbraw/zinc/99/82/71/554998271.db2.gz HEBCWFCQRZLVNH-VMFRQMAUSA-N -1 1 554.668 6.733 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102655727 554998645 /nfs/dbraw/zinc/99/86/45/554998645.db2.gz JDKJQRWSMZONRS-YZUJGMDRSA-N -1 1 633.166 7.723 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102655727 554998646 /nfs/dbraw/zinc/99/86/46/554998646.db2.gz JDKJQRWSMZONRS-YZUJGMDRSA-N -1 1 633.166 7.723 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102655754 554998748 /nfs/dbraw/zinc/99/87/48/554998748.db2.gz FRCSDTSAPPYJJD-HWTUVFLMSA-N -1 1 584.694 6.824 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102655741 554998769 /nfs/dbraw/zinc/99/87/69/554998769.db2.gz BLYHBIIIFSMMKQ-WGQAXHKASA-N -1 1 577.456 6.017 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102656099 554999048 /nfs/dbraw/zinc/99/90/48/554999048.db2.gz JBXMZPWYVMVXPR-NYFCFKJUSA-N -1 1 602.684 6.963 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102656099 554999050 /nfs/dbraw/zinc/99/90/50/554999050.db2.gz JBXMZPWYVMVXPR-NYFCFKJUSA-N -1 1 602.684 6.963 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102656162 554999059 /nfs/dbraw/zinc/99/90/59/554999059.db2.gz SZNBQTUBQVICCR-CJJGVWJISA-N -1 1 620.680 5.379 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102656065 554999065 /nfs/dbraw/zinc/99/90/65/554999065.db2.gz KPTNLZOWTILMRI-NNZNMFTDSA-N -1 1 612.748 7.522 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102656168 554999121 /nfs/dbraw/zinc/99/91/21/554999121.db2.gz HAHPEXHKRBPKDI-LOTNQUKISA-N -1 1 628.747 7.222 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102661694 555000662 /nfs/dbraw/zinc/00/06/62/555000662.db2.gz LJAHZAUTEZQPBL-PEHBIRLUSA-N -1 1 558.612 5.359 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102661694 555000664 /nfs/dbraw/zinc/00/06/64/555000664.db2.gz LJAHZAUTEZQPBL-PEHBIRLUSA-N -1 1 558.612 5.359 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102663324 555001218 /nfs/dbraw/zinc/00/12/18/555001218.db2.gz KZFVDRUJXYUOAJ-YMCWBSDSSA-N -1 1 531.521 5.293 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102679302 555005076 /nfs/dbraw/zinc/00/50/76/555005076.db2.gz PHIBLTKXJSFJQB-SSELITHESA-N -1 1 542.613 5.653 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000102681683 555005793 /nfs/dbraw/zinc/00/57/93/555005793.db2.gz KADWAWDAJPMILK-RSERVXPISA-N -1 1 611.445 5.862 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102690611 555008198 /nfs/dbraw/zinc/00/81/98/555008198.db2.gz KZLZXLWRGFRTRH-ZZIWUOEGSA-N -1 1 529.574 5.765 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102694750 555009695 /nfs/dbraw/zinc/00/96/95/555009695.db2.gz GOXAHPOBMJHFLU-AYWGPLOBSA-N -1 1 500.576 5.502 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102696392 555011361 /nfs/dbraw/zinc/01/13/61/555011361.db2.gz RBWMYRXTKFAPFL-AYWGPLOBSA-N -1 1 531.546 5.156 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102696987 555011650 /nfs/dbraw/zinc/01/16/50/555011650.db2.gz QKMZNESQSNHSFS-AYWGPLOBSA-N -1 1 504.995 6.147 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102696987 555011651 /nfs/dbraw/zinc/01/16/51/555011651.db2.gz QKMZNESQSNHSFS-AYWGPLOBSA-N -1 1 504.995 6.147 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102707658 555015653 /nfs/dbraw/zinc/01/56/53/555015653.db2.gz GBTQDECLEMFBBU-NPJIAGGLSA-N -1 1 516.594 6.411 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102707658 555015655 /nfs/dbraw/zinc/01/56/55/555015655.db2.gz GBTQDECLEMFBBU-NPJIAGGLSA-N -1 1 516.594 6.411 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102708283 555015844 /nfs/dbraw/zinc/01/58/44/555015844.db2.gz ZDIAUAGSYICEOT-SBXHHDGASA-N -1 1 529.574 5.792 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102708283 555015846 /nfs/dbraw/zinc/01/58/46/555015846.db2.gz ZDIAUAGSYICEOT-SBXHHDGASA-N -1 1 529.574 5.792 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102711432 555016771 /nfs/dbraw/zinc/01/67/71/555016771.db2.gz ADDSRAUTBOAJBD-KQAPWQHSSA-N -1 1 514.603 5.947 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102714014 555017886 /nfs/dbraw/zinc/01/78/86/555017886.db2.gz NMGMGQITZAPGPR-JBCNATCCSA-N -1 1 520.607 5.171 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102714754 555018321 /nfs/dbraw/zinc/01/83/21/555018321.db2.gz QYIOPETXOBDEPW-NXLSWJSLSA-N -1 1 519.022 6.537 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102714754 555018322 /nfs/dbraw/zinc/01/83/22/555018322.db2.gz QYIOPETXOBDEPW-NXLSWJSLSA-N -1 1 519.022 6.537 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102716857 555018861 /nfs/dbraw/zinc/01/88/61/555018861.db2.gz HHENIXOJZGCUNO-IUKMQXEJSA-N -1 1 533.049 6.927 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102716857 555018864 /nfs/dbraw/zinc/01/88/64/555018864.db2.gz HHENIXOJZGCUNO-IUKMQXEJSA-N -1 1 533.049 6.927 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000102716531 555018871 /nfs/dbraw/zinc/01/88/71/555018871.db2.gz FUPCCEPYHLPQNJ-CJJGVWJISA-N -1 1 528.630 6.282 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102716616 555018971 /nfs/dbraw/zinc/01/89/71/555018971.db2.gz FYPDQXKAIRRFSC-NPJIAGGLSA-N -1 1 514.603 5.892 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102723965 555021032 /nfs/dbraw/zinc/02/10/32/555021032.db2.gz KQCPJNDNCJMZBX-MOBKVPTQSA-N -1 1 509.414 6.792 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102723590 555021080 /nfs/dbraw/zinc/02/10/80/555021080.db2.gz IMSAIIGGCTVUKQ-CZNAVJSXSA-N -1 1 512.631 6.582 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102725480 555021215 /nfs/dbraw/zinc/02/12/15/555021215.db2.gz CFRMZSFTHAZPTR-NPJIAGGLSA-N -1 1 544.629 5.901 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102729451 555023200 /nfs/dbraw/zinc/02/32/00/555023200.db2.gz NODVEEIKIVPJBY-ZHHPLPSFSA-N -1 1 504.995 6.147 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102729451 555023203 /nfs/dbraw/zinc/02/32/03/555023203.db2.gz NODVEEIKIVPJBY-ZHHPLPSFSA-N -1 1 504.995 6.147 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102733068 555024352 /nfs/dbraw/zinc/02/43/52/555024352.db2.gz SZIBHDYGKLMGDO-AYWGPLOBSA-N -1 1 533.447 6.556 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000102734022 555024575 /nfs/dbraw/zinc/02/45/75/555024575.db2.gz GZXOZMNNXWFGTI-WOOAAIBNSA-N -1 1 503.736 5.034 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102735454 555025485 /nfs/dbraw/zinc/02/54/85/555025485.db2.gz FRAWSLHRNZFFGO-WRPQUVRJSA-N -1 1 516.619 5.727 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000102735574 555025873 /nfs/dbraw/zinc/02/58/73/555025873.db2.gz NZKYDUXURDSEDY-KODPQLEOSA-N -1 1 588.685 7.655 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736976 555026478 /nfs/dbraw/zinc/02/64/78/555026478.db2.gz UXLVVDZMFOWANP-CGKJMNDRSA-N -1 1 557.584 5.553 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770829 555058224 /nfs/dbraw/zinc/05/82/24/555058224.db2.gz WCUOGRPSJCNIPT-XLNMUAQOSA-N -1 1 581.875 6.662 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770872 555058636 /nfs/dbraw/zinc/05/86/36/555058636.db2.gz CRLYBMABKQPXFA-RFAFYKRUSA-N -1 1 542.632 6.683 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771304 555060028 /nfs/dbraw/zinc/06/00/28/555060028.db2.gz GGOZJWHURATZQL-WRPQUVRJSA-N -1 1 610.544 7.087 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccs3)ccc2O1 ZINC000102771547 555060654 /nfs/dbraw/zinc/06/06/54/555060654.db2.gz NOBWSQFCHBHUCV-WAUVLBAPSA-N -1 1 509.008 5.961 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102856389 555088092 /nfs/dbraw/zinc/08/80/92/555088092.db2.gz LXOLRMXEMUCSML-MOBKVPTQSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102856389 555088095 /nfs/dbraw/zinc/08/80/95/555088095.db2.gz LXOLRMXEMUCSML-MOBKVPTQSA-N -1 1 504.539 5.387 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102857249 555088627 /nfs/dbraw/zinc/08/86/27/555088627.db2.gz GYAGDXOPGFNCFG-ZZIWUOEGSA-N -1 1 529.574 5.846 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102857482 555088885 /nfs/dbraw/zinc/08/88/85/555088885.db2.gz QYFHJWBWMSKCIK-SBXHHDGASA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102857482 555088888 /nfs/dbraw/zinc/08/88/88/555088888.db2.gz QYFHJWBWMSKCIK-SBXHHDGASA-N -1 1 516.575 5.339 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102860178 555090299 /nfs/dbraw/zinc/09/02/99/555090299.db2.gz GUKYHZIZBOLWDS-LFVOPCPISA-N -1 1 527.421 5.755 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102862947 555092559 /nfs/dbraw/zinc/09/25/59/555092559.db2.gz HDDOXQMQJQKLQG-IAMBOQNYSA-N -1 1 503.511 5.587 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000102863381 555093187 /nfs/dbraw/zinc/09/31/87/555093187.db2.gz LIXQVXLGGFDTGD-YDJIHCHBSA-N -1 1 514.987 5.065 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000102863381 555093188 /nfs/dbraw/zinc/09/31/88/555093188.db2.gz LIXQVXLGGFDTGD-YDJIHCHBSA-N -1 1 514.987 5.065 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102863469 555093263 /nfs/dbraw/zinc/09/32/63/555093263.db2.gz SOSPRUFBTPXKPF-QKJBWNOYSA-N -1 1 530.602 5.565 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000102863385 555093287 /nfs/dbraw/zinc/09/32/87/555093287.db2.gz LIXQVXLGGFDTGD-NHFXJNLRSA-N -1 1 514.987 5.065 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000102863385 555093289 /nfs/dbraw/zinc/09/32/89/555093289.db2.gz LIXQVXLGGFDTGD-NHFXJNLRSA-N -1 1 514.987 5.065 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102864041 555093973 /nfs/dbraw/zinc/09/39/73/555093973.db2.gz ILRGDLKXEMXSOJ-NHFXJNLRSA-N -1 1 508.577 5.010 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102864671 555094137 /nfs/dbraw/zinc/09/41/37/555094137.db2.gz ZXZXYEFEEHNNMM-YDJIHCHBSA-N -1 1 513.413 5.547 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102866144 555095409 /nfs/dbraw/zinc/09/54/09/555095409.db2.gz QLUCNWSWLUOVMS-VEZPTTSMSA-N -1 1 630.719 6.670 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102866144 555095412 /nfs/dbraw/zinc/09/54/12/555095412.db2.gz QLUCNWSWLUOVMS-VEZPTTSMSA-N -1 1 630.719 6.670 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102866910 555096325 /nfs/dbraw/zinc/09/63/25/555096325.db2.gz FQSUBMYJJXMJJN-CZNAVJSXSA-N -1 1 574.611 5.197 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102866910 555096329 /nfs/dbraw/zinc/09/63/29/555096329.db2.gz FQSUBMYJJXMJJN-CZNAVJSXSA-N -1 1 574.611 5.197 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102866914 555096394 /nfs/dbraw/zinc/09/63/94/555096394.db2.gz AZDTWPKWAJTXBC-YDJIHCHBSA-N -1 1 508.596 5.453 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102867046 555096424 /nfs/dbraw/zinc/09/64/24/555096424.db2.gz FOPJYARJLDLORN-XKNZNLGKSA-N -1 1 570.667 6.352 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102867984 555097501 /nfs/dbraw/zinc/09/75/01/555097501.db2.gz SSGCWRQENYDSHZ-ONQGDUAMSA-N -1 1 558.656 6.291 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102869025 555098264 /nfs/dbraw/zinc/09/82/64/555098264.db2.gz XLAUWZKVJTVGLL-WBMUNJTESA-N -1 1 512.587 5.563 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102869512 555098776 /nfs/dbraw/zinc/09/87/76/555098776.db2.gz VJHROUKXINXEAE-FGEDTZIGSA-N -1 1 613.761 6.959 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102870199 555100424 /nfs/dbraw/zinc/10/04/24/555100424.db2.gz KWCDCQNRJQBABT-FLJNSMSWSA-N -1 1 602.684 6.819 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102870199 555100425 /nfs/dbraw/zinc/10/04/25/555100425.db2.gz KWCDCQNRJQBABT-FLJNSMSWSA-N -1 1 602.684 6.819 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102870509 555100639 /nfs/dbraw/zinc/10/06/39/555100639.db2.gz UHVXCIDVHLRYIN-MNOIWJKESA-N -1 1 627.788 7.349 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102870843 555101230 /nfs/dbraw/zinc/10/12/30/555101230.db2.gz XVJHRXTXENMZIX-CZNAVJSXSA-N -1 1 544.629 5.901 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102873190 555103682 /nfs/dbraw/zinc/10/36/82/555103682.db2.gz UWAYDYSDEJVZPD-NPJIAGGLSA-N -1 1 514.603 6.028 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102874945 555104915 /nfs/dbraw/zinc/10/49/15/555104915.db2.gz HZGOBLCYRHZELX-MOBKVPTQSA-N -1 1 520.538 5.088 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000102875288 555105257 /nfs/dbraw/zinc/10/52/57/555105257.db2.gz RMGBZGVXBMBSAP-UVDRRRQGSA-N -1 1 502.567 6.077 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102875359 555105282 /nfs/dbraw/zinc/10/52/82/555105282.db2.gz VKDUISRDTYVNED-CZNAVJSXSA-N -1 1 603.678 5.942 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102877785 555107247 /nfs/dbraw/zinc/10/72/47/555107247.db2.gz IJIXAZOAGVFCFS-ZZIWUOEGSA-N -1 1 530.602 5.565 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000102878230 555107554 /nfs/dbraw/zinc/10/75/54/555107554.db2.gz AEFZQGTZMQGCDN-ONQGDUAMSA-N -1 1 526.545 5.206 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000102878230 555107556 /nfs/dbraw/zinc/10/75/56/555107556.db2.gz AEFZQGTZMQGCDN-ONQGDUAMSA-N -1 1 526.545 5.206 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102880089 555108926 /nfs/dbraw/zinc/10/89/26/555108926.db2.gz DGXSRIKPSQTSPI-UVDRRRQGSA-N -1 1 519.022 6.592 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102880201 555109353 /nfs/dbraw/zinc/10/93/53/555109353.db2.gz ZJQCJLNECVXKFM-ZHHPLPSFSA-N -1 1 567.019 5.610 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102882789 555111116 /nfs/dbraw/zinc/11/11/16/555111116.db2.gz PCKDKMBTSSBKBJ-IUKMQXEJSA-N -1 1 532.593 6.168 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102882789 555111117 /nfs/dbraw/zinc/11/11/17/555111117.db2.gz PCKDKMBTSSBKBJ-IUKMQXEJSA-N -1 1 532.593 6.168 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102882724 555111143 /nfs/dbraw/zinc/11/11/43/555111143.db2.gz FORCWUGRJKHRFH-AYWGPLOBSA-N -1 1 550.589 5.249 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102882926 555111280 /nfs/dbraw/zinc/11/12/80/555111280.db2.gz FXILAMULQCHRTG-DPEHCCBOSA-N -1 1 509.392 5.233 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)cc1 ZINC000102883429 555111668 /nfs/dbraw/zinc/11/16/68/555111668.db2.gz LVJCTDZENIUTMC-ZZIWUOEGSA-N -1 1 502.567 6.077 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102883271 555111674 /nfs/dbraw/zinc/11/16/74/555111674.db2.gz CUURSCQXYYXXSP-HFEWCJDKSA-N -1 1 506.605 5.618 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102883458 555111986 /nfs/dbraw/zinc/11/19/86/555111986.db2.gz GJIJGJVOECYPCV-AYWGPLOBSA-N -1 1 534.977 5.356 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000102884235 555112784 /nfs/dbraw/zinc/11/27/84/555112784.db2.gz AADVPSXFZKGIRT-MDLGLMBTSA-N -1 1 618.711 7.142 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102884182 555112797 /nfs/dbraw/zinc/11/27/97/555112797.db2.gz NPQGHLLRGIJSLH-HOGKFDNTSA-N -1 1 506.605 5.782 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102884182 555112800 /nfs/dbraw/zinc/11/28/00/555112800.db2.gz NPQGHLLRGIJSLH-HOGKFDNTSA-N -1 1 506.605 5.782 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102884183 555112919 /nfs/dbraw/zinc/11/29/19/555112919.db2.gz NPQGHLLRGIJSLH-MOBKVPTQSA-N -1 1 506.605 5.782 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102884183 555112920 /nfs/dbraw/zinc/11/29/20/555112920.db2.gz NPQGHLLRGIJSLH-MOBKVPTQSA-N -1 1 506.605 5.782 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102884348 555113173 /nfs/dbraw/zinc/11/31/73/555113173.db2.gz CDONGKQZFJKPBD-WBMUNJTESA-N -1 1 606.125 6.442 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102884658 555113822 /nfs/dbraw/zinc/11/38/22/555113822.db2.gz SBUCTQDPQWJYEJ-YSJQHINGSA-N -1 1 604.684 6.834 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102884630 555113905 /nfs/dbraw/zinc/11/39/05/555113905.db2.gz NSPVVVDCIJVAGD-CJJGVWJISA-N -1 1 556.640 6.000 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102884712 555114245 /nfs/dbraw/zinc/11/42/45/555114245.db2.gz VQPAIFMERJYVAN-NXLSVDECSA-N -1 1 614.720 6.688 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102884712 555114247 /nfs/dbraw/zinc/11/42/47/555114247.db2.gz VQPAIFMERJYVAN-NXLSVDECSA-N -1 1 614.720 6.688 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102884817 555114594 /nfs/dbraw/zinc/11/45/94/555114594.db2.gz UQDIHFJFKMIMQQ-QJGFIUGVSA-N -1 1 568.695 7.123 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102884839 555114800 /nfs/dbraw/zinc/11/48/00/555114800.db2.gz TZIJMQVEUDOCRO-NXLSWJSLSA-N -1 1 559.556 5.001 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000102885262 555115503 /nfs/dbraw/zinc/11/55/03/555115503.db2.gz BALBVIOTKHBNPK-NPJIAGGLSA-N -1 1 572.614 5.891 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102886648 555117247 /nfs/dbraw/zinc/11/72/47/555117247.db2.gz BYFNZARDCCOXRA-SSELITHESA-N -1 1 542.613 5.653 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102886924 555117779 /nfs/dbraw/zinc/11/77/79/555117779.db2.gz LYZBYQMEQCPQPC-SBXHHDGASA-N -1 1 517.006 6.310 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102887137 555118268 /nfs/dbraw/zinc/11/82/68/555118268.db2.gz NYLLOEADLPERFC-WNQPQFFOSA-N -1 1 603.697 6.318 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102887287 555118513 /nfs/dbraw/zinc/11/85/13/555118513.db2.gz UQRFWAPZBXUMTG-GRBPGWBESA-N -1 1 600.693 6.442 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102887287 555118516 /nfs/dbraw/zinc/11/85/16/555118516.db2.gz UQRFWAPZBXUMTG-GRBPGWBESA-N -1 1 600.693 6.442 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102887249 555118527 /nfs/dbraw/zinc/11/85/27/555118527.db2.gz RTHQXQUYQWGYDB-KVBNAJLESA-N -1 1 598.721 7.050 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102887303 555118897 /nfs/dbraw/zinc/11/88/97/555118897.db2.gz BBQMRYCDWAPUOX-JVJOXMINSA-N -1 1 617.724 6.708 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102887293 555118903 /nfs/dbraw/zinc/11/89/03/555118903.db2.gz UQRFWAPZBXUMTG-GBIFRDBCSA-N -1 1 600.693 6.442 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102887293 555118905 /nfs/dbraw/zinc/11/89/05/555118905.db2.gz UQRFWAPZBXUMTG-GBIFRDBCSA-N -1 1 600.693 6.442 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102887683 555119877 /nfs/dbraw/zinc/11/98/77/555119877.db2.gz LSAJQMLXYKRABR-FLJNSMSWSA-N -1 1 619.139 7.477 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102887683 555119879 /nfs/dbraw/zinc/11/98/79/555119879.db2.gz LSAJQMLXYKRABR-FLJNSMSWSA-N -1 1 619.139 7.477 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102887787 555120109 /nfs/dbraw/zinc/12/01/09/555120109.db2.gz SEEXHYXBJFGPBG-QNIVJUIWSA-N -1 1 617.680 5.706 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102887805 555120139 /nfs/dbraw/zinc/12/01/39/555120139.db2.gz JLYOKVIJEMEGHU-NGAXIMOQSA-N -1 1 599.734 6.569 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102887935 555120484 /nfs/dbraw/zinc/12/04/84/555120484.db2.gz BULJLLUIYUFTBA-WGGXKBPPSA-N -1 1 592.629 6.495 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102887939 555120553 /nfs/dbraw/zinc/12/05/53/555120553.db2.gz BULJLLUIYUFTBA-MIOXIQPJSA-N -1 1 592.629 6.495 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102888194 555120833 /nfs/dbraw/zinc/12/08/33/555120833.db2.gz OHJHLKFYRIFQFV-XTUFCYCQSA-N -1 1 589.113 7.468 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102888194 555120836 /nfs/dbraw/zinc/12/08/36/555120836.db2.gz OHJHLKFYRIFQFV-XTUFCYCQSA-N -1 1 589.113 7.468 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102888076 555120881 /nfs/dbraw/zinc/12/08/81/555120881.db2.gz RULBUNOIEMKQIE-HAQIDCBSSA-N -1 1 528.586 5.263 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102888241 555121133 /nfs/dbraw/zinc/12/11/33/555121133.db2.gz RJMHYKFXRBVHFH-UZGIXAGNSA-N -1 1 598.721 7.214 50 30 KKEAMM CCCCCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000102888284 555121151 /nfs/dbraw/zinc/12/11/51/555121151.db2.gz PUNFPFKTKIWVQD-JOCHJYFZSA-N -1 1 576.352 8.541 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102888258 555121179 /nfs/dbraw/zinc/12/11/79/555121179.db2.gz FWTOIUXJIIMMQG-IOUQRVAPSA-N -1 1 613.717 5.875 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102888790 555122155 /nfs/dbraw/zinc/12/21/55/555122155.db2.gz HUUQWLZHHRYXKK-OFNYXUPYSA-N -1 1 575.086 7.078 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102888790 555122159 /nfs/dbraw/zinc/12/21/59/555122159.db2.gz HUUQWLZHHRYXKK-OFNYXUPYSA-N -1 1 575.086 7.078 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102888732 555122258 /nfs/dbraw/zinc/12/22/58/555122258.db2.gz YRQQHAVJLJHLBP-WBMUNJTESA-N -1 1 546.645 5.783 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888953 555122837 /nfs/dbraw/zinc/12/28/37/555122837.db2.gz CHQCVWBAMOCWKO-HWTUVFLMSA-N -1 1 584.694 6.824 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccs3)nc2c(C)c1 ZINC000102889014 555122921 /nfs/dbraw/zinc/12/29/21/555122921.db2.gz PZVOQGWTYHJBHZ-IAMBOQNYSA-N -1 1 504.589 5.372 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102889426 555123551 /nfs/dbraw/zinc/12/35/51/555123551.db2.gz LVIPKUBSJPBSMR-PZOWILBQSA-N -1 1 570.667 6.270 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102889602 555124234 /nfs/dbraw/zinc/12/42/34/555124234.db2.gz YSCCBJNWBAECHX-XXASTYAFSA-N -1 1 558.656 6.264 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102889934 555124492 /nfs/dbraw/zinc/12/44/92/555124492.db2.gz WHZKVPIMTSBJRT-MOBKVPTQSA-N -1 1 573.841 6.654 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102890160 555125235 /nfs/dbraw/zinc/12/52/35/555125235.db2.gz HNWRCUJOIKYFRQ-IUKMQXEJSA-N -1 1 528.586 5.265 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1C ZINC000102890562 555125849 /nfs/dbraw/zinc/12/58/49/555125849.db2.gz NFAPDPFRHQOYFS-ZHHPLPSFSA-N -1 1 534.634 5.742 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1C ZINC000102890562 555125852 /nfs/dbraw/zinc/12/58/52/555125852.db2.gz NFAPDPFRHQOYFS-ZHHPLPSFSA-N -1 1 534.634 5.742 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccnc3)s2)cc1 ZINC000102891594 555127367 /nfs/dbraw/zinc/12/73/67/555127367.db2.gz DRKSCGZGPALDEJ-JBCNATCCSA-N -1 1 500.605 5.160 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102891484 555127404 /nfs/dbraw/zinc/12/74/04/555127404.db2.gz FYKAOPJNFUYTGC-SOIUSXPSSA-N -1 1 546.645 5.701 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102891540 555127478 /nfs/dbraw/zinc/12/74/78/555127478.db2.gz PMPDUNJRHKAXAB-RGKNCCAESA-N -1 1 556.640 5.880 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102891713 555127841 /nfs/dbraw/zinc/12/78/41/555127841.db2.gz DCFSFZCUCLAPKV-CZNAVJSXSA-N -1 1 558.612 5.491 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102891713 555127843 /nfs/dbraw/zinc/12/78/43/555127843.db2.gz DCFSFZCUCLAPKV-CZNAVJSXSA-N -1 1 558.612 5.491 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102891998 555128063 /nfs/dbraw/zinc/12/80/63/555128063.db2.gz IVCUMHFCTVAFEW-KNZGKXHUSA-N -1 1 533.005 5.908 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102892322 555128482 /nfs/dbraw/zinc/12/84/82/555128482.db2.gz SHGLAKCPWIJNIY-NXLSWJSLSA-N -1 1 559.556 5.001 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102893198 555130173 /nfs/dbraw/zinc/13/01/73/555130173.db2.gz POTISKLPGDLMIO-NXLSVDECSA-N -1 1 624.715 6.582 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102893198 555130176 /nfs/dbraw/zinc/13/01/76/555130176.db2.gz POTISKLPGDLMIO-NXLSVDECSA-N -1 1 624.715 6.582 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893209 555130219 /nfs/dbraw/zinc/13/02/19/555130219.db2.gz HJVCROFSPPPJOS-SMLVDECESA-N -1 1 582.722 7.432 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000102893369 555130694 /nfs/dbraw/zinc/13/06/94/555130694.db2.gz AKTJLYXQLCEYGW-IOUQRVAPSA-N -1 1 588.682 5.923 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000102893369 555130698 /nfs/dbraw/zinc/13/06/98/555130698.db2.gz AKTJLYXQLCEYGW-IOUQRVAPSA-N -1 1 588.682 5.923 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102893398 555130780 /nfs/dbraw/zinc/13/07/80/555130780.db2.gz KBJRXXREVJWEGP-FZIYRNTBSA-N -1 1 618.708 5.932 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102893398 555130783 /nfs/dbraw/zinc/13/07/83/555130783.db2.gz KBJRXXREVJWEGP-FZIYRNTBSA-N -1 1 618.708 5.932 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102893384 555130860 /nfs/dbraw/zinc/13/08/60/555130860.db2.gz JVMCZBMULSOTSG-CZNAVJSXSA-N -1 1 604.637 5.118 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102893602 555131082 /nfs/dbraw/zinc/13/10/82/555131082.db2.gz FRWVAIHORZLONI-TXTDGAROSA-N -1 1 628.703 6.159 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102894272 555132308 /nfs/dbraw/zinc/13/23/08/555132308.db2.gz ZAAPLIVPEWJEMQ-IKZPYDRGSA-N -1 1 540.641 6.378 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894680 555132810 /nfs/dbraw/zinc/13/28/10/555132810.db2.gz LFAKLNLXGLNMGT-HAQIDCBSSA-N -1 1 547.032 6.298 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894680 555132811 /nfs/dbraw/zinc/13/28/11/555132811.db2.gz LFAKLNLXGLNMGT-HAQIDCBSSA-N -1 1 547.032 6.298 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102894940 555133175 /nfs/dbraw/zinc/13/31/75/555133175.db2.gz DYFAJRPVZQVTIN-NPJIAGGLSA-N -1 1 599.621 5.660 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102895308 555134030 /nfs/dbraw/zinc/13/40/30/555134030.db2.gz OJPSBTBQVLNYDP-LHKMDIPOSA-N -1 1 584.694 6.742 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102895769 555135280 /nfs/dbraw/zinc/13/52/80/555135280.db2.gz XRHPHPNQKUAQRI-QMMFTLRZSA-N -1 1 630.719 6.526 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102895769 555135282 /nfs/dbraw/zinc/13/52/82/555135282.db2.gz XRHPHPNQKUAQRI-QMMFTLRZSA-N -1 1 630.719 6.526 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCC)c3)sc2c1 ZINC000102896377 555136353 /nfs/dbraw/zinc/13/63/53/555136353.db2.gz GDMNMSWSHAUXTE-QBTYMPIYSA-N -1 1 556.640 6.043 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000102897335 555137582 /nfs/dbraw/zinc/13/75/82/555137582.db2.gz TYECLEMJVXTJNA-IUKMQXEJSA-N -1 1 514.603 5.892 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102897423 555137854 /nfs/dbraw/zinc/13/78/54/555137854.db2.gz HUHSWABZFOOHEP-KGDZIIOTSA-N -1 1 549.004 5.614 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102899247 555138867 /nfs/dbraw/zinc/13/88/67/555138867.db2.gz UPJWISLMVMGYCZ-XKNZNLGKSA-N -1 1 604.725 6.427 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102899247 555138870 /nfs/dbraw/zinc/13/88/70/555138870.db2.gz UPJWISLMVMGYCZ-XKNZNLGKSA-N -1 1 604.725 6.427 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102899751 555139459 /nfs/dbraw/zinc/13/94/59/555139459.db2.gz WAIVTKKLHZDKHX-CZNAVJSXSA-N -1 1 622.696 5.603 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102899740 555139484 /nfs/dbraw/zinc/13/94/84/555139484.db2.gz BNINGGZXPYQADM-YSJQHINGSA-N -1 1 628.747 7.078 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102925048 555149440 /nfs/dbraw/zinc/14/94/40/555149440.db2.gz JRLQBPCKLQQCMT-IUKMQXEJSA-N -1 1 530.602 5.647 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000102926505 555150871 /nfs/dbraw/zinc/15/08/71/555150871.db2.gz YGLJFLIIEKVIFS-MOBKVPTQSA-N -1 1 511.043 6.346 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102926826 555151557 /nfs/dbraw/zinc/15/15/57/555151557.db2.gz NUQQCOUHJBDLPL-TXTDGAROSA-N -1 1 628.703 6.246 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102931131 555158193 /nfs/dbraw/zinc/15/81/93/555158193.db2.gz MJVDZLKUQQTOSR-HOGKFDNTSA-N -1 1 506.967 5.593 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102931554 555159104 /nfs/dbraw/zinc/15/91/04/555159104.db2.gz SQILUXOIXGMULL-ZHHPLPSFSA-N -1 1 514.559 5.108 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102931554 555159107 /nfs/dbraw/zinc/15/91/07/555159107.db2.gz SQILUXOIXGMULL-ZHHPLPSFSA-N -1 1 514.559 5.108 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102932257 555159697 /nfs/dbraw/zinc/15/96/97/555159697.db2.gz XBZMUIANVFUWFA-SBXHHDGASA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102932260 555159740 /nfs/dbraw/zinc/15/97/40/555159740.db2.gz XBZMUIANVFUWFA-NXLSWJSLSA-N -1 1 516.575 5.339 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102935129 555162492 /nfs/dbraw/zinc/16/24/92/555162492.db2.gz AAHFADSSALNAJP-NHFXJNLRSA-N -1 1 510.999 5.641 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000102937671 555165658 /nfs/dbraw/zinc/16/56/58/555165658.db2.gz GANGEFSBEGNLFZ-HSZRJFAPSA-N -1 1 612.041 5.329 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000103928959 571370057 /nfs/dbraw/zinc/37/00/57/571370057.db2.gz RMZRFDQJIOKANX-HOGKFDNTSA-N -1 1 520.607 5.134 50 30 KKEAMM CC(C)(C)c1cc(Br)c([O-])c(/C=N/[C@H]2CCCC[C@H]2/N=C/c2cc(C(C)(C)C)cc(Br)c2O)c1 ZINC000106503997 571412824 /nfs/dbraw/zinc/41/28/24/571412824.db2.gz GKAZTXGRLZTVSO-WMXIRLPISA-N -1 1 592.416 8.067 50 30 KKEAMM CC(C)(C)c1cc(Br)c([O-])c(/C=N/[C@@H]2CCCC[C@@H]2/N=C/c2cc(C(C)(C)C)cc(Br)c2O)c1 ZINC000106503997 571412825 /nfs/dbraw/zinc/41/28/25/571412825.db2.gz GKAZTXGRLZTVSO-WMXIRLPISA-N -1 1 592.416 8.067 50 30 KKEAMM COc1cc(-c2ccc(/N=C/c3cccc(I)c3O)c(OC)c2)ccc1/N=C/c1cccc(I)c1[O-] ZINC000150350614 571461962 /nfs/dbraw/zinc/46/19/62/571461962.db2.gz LHGANPHXBXFKKI-IHXWQEJPSA-N -1 1 704.302 7.492 50 30 KKEAMM COc1ccc(NC(=NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000150387944 571470454 /nfs/dbraw/zinc/47/04/54/571470454.db2.gz DDDHODALMOODOX-UHFFFAOYSA-N -1 1 635.507 5.959 50 30 KKEAMM CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[n-]2)c1 ZINC000150391459 571473736 /nfs/dbraw/zinc/47/37/36/571473736.db2.gz LQTAZKTZXRIQGE-UHFFFAOYSA-N -1 1 770.242 12.020 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000150414016 571484960 /nfs/dbraw/zinc/48/49/60/571484960.db2.gz PYXGHWHTBGYKHT-JGCGQSQUSA-N -1 1 659.764 9.006 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150418432 571486428 /nfs/dbraw/zinc/48/64/28/571486428.db2.gz QXWNMBQFAXVJTM-ONQGDUAMSA-N -1 1 649.722 6.164 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150418187 571486445 /nfs/dbraw/zinc/48/64/45/571486445.db2.gz IECSAWRQOZEICZ-XTUFCYCQSA-N -1 1 664.205 7.231 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000150422204 571488034 /nfs/dbraw/zinc/48/80/34/571488034.db2.gz VESWORFXTAHDFI-NBXYUPGTSA-N -1 1 706.286 8.257 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000150424252 571488961 /nfs/dbraw/zinc/48/89/61/571488961.db2.gz UINYYWOMOFCRBU-VIDUVWHZSA-N -1 1 685.868 7.912 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000150424435 571489164 /nfs/dbraw/zinc/48/91/64/571489164.db2.gz XHHIFHWTMOCGJJ-RIEKNRFYSA-N -1 1 706.286 8.257 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000150424439 571489181 /nfs/dbraw/zinc/48/91/81/571489181.db2.gz XHHIFHWTMOCGJJ-NBXYUPGTSA-N -1 1 706.286 8.257 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000150426366 571490646 /nfs/dbraw/zinc/49/06/46/571490646.db2.gz YOQFDFNZDWOERT-WBMUNJTESA-N -1 1 634.135 6.220 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150426555 571490957 /nfs/dbraw/zinc/49/09/57/571490957.db2.gz GLFTVGYGNRKUDZ-CGKJMNDRSA-N -1 1 668.580 6.874 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150426653 571490982 /nfs/dbraw/zinc/49/09/82/571490982.db2.gz MWQIIKDOJYSFOA-LHKMDIPOSA-N -1 1 649.750 6.720 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000150426786 571491163 /nfs/dbraw/zinc/49/11/63/571491163.db2.gz GOCQOEBYHGTZJY-OGHRCCBNSA-N -1 1 634.135 6.220 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000150432492 571494196 /nfs/dbraw/zinc/49/41/96/571494196.db2.gz ZTZSSSUTXDYSIY-XMMPIXPASA-N -1 1 642.067 5.425 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000150432503 571494337 /nfs/dbraw/zinc/49/43/37/571494337.db2.gz VJCSTSLGBRFYMI-JOCHJYFZSA-N -1 1 627.012 5.229 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000150432480 571494351 /nfs/dbraw/zinc/49/43/51/571494351.db2.gz JWKYSSGLNKEAQT-RUZDIDTESA-N -1 1 624.096 6.444 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)nc1C ZINC000150434365 571494903 /nfs/dbraw/zinc/49/49/03/571494903.db2.gz AYVFXOCAIZPHDO-LJAQVGFWSA-N -1 1 648.778 7.190 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000150435044 571495099 /nfs/dbraw/zinc/49/50/99/571495099.db2.gz PIJNDXLDPVPQAH-QMMFTLRZSA-N -1 1 667.740 6.946 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000150435108 571495253 /nfs/dbraw/zinc/49/52/53/571495253.db2.gz BLRVCSUIXHTBPP-MUUNZHRXSA-N -1 1 627.694 7.992 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000150435788 571495760 /nfs/dbraw/zinc/49/57/60/571495760.db2.gz ZSBDCRHJZKDDML-KFLIVHAJSA-N -1 1 711.793 7.345 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000150435813 571495874 /nfs/dbraw/zinc/49/58/74/571495874.db2.gz ABNUZXPLZCMGGZ-KFLIVHAJSA-N -1 1 634.710 6.980 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435696 571495884 /nfs/dbraw/zinc/49/58/84/571495884.db2.gz CVRCQYXBOWAUFY-WPKYSNMOSA-N -1 1 662.764 7.622 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000150439913 571497559 /nfs/dbraw/zinc/49/75/59/571497559.db2.gz VYFRXGUGTUNNRV-JOZOHXTNSA-N -1 1 726.276 8.411 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000150440068 571497785 /nfs/dbraw/zinc/49/77/85/571497785.db2.gz IXWKXDUJSMOLAL-DNPZSINUSA-N -1 1 709.821 7.897 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150441788 571498655 /nfs/dbraw/zinc/49/86/55/571498655.db2.gz HIQIBUARVMFXSE-NNZNMFTDSA-N -1 1 682.223 8.013 50 30 KKEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150445483 571500348 /nfs/dbraw/zinc/50/03/48/571500348.db2.gz OTHZNQOVQVMABW-VGZNNGDKSA-N -1 1 635.767 7.332 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150445483 571500349 /nfs/dbraw/zinc/50/03/49/571500349.db2.gz OTHZNQOVQVMABW-VGZNNGDKSA-N -1 1 635.767 7.332 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445323 571500409 /nfs/dbraw/zinc/50/04/09/571500409.db2.gz DBTSEWGIPDXBLH-VEZPTTSMSA-N -1 1 668.724 6.170 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150445411 571500432 /nfs/dbraw/zinc/50/04/32/571500432.db2.gz JXVYXVFWMZFTCT-RWMNMRIUSA-N -1 1 657.814 7.276 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150445839 571500617 /nfs/dbraw/zinc/50/06/17/571500617.db2.gz OJNPRQCGYRYILX-TXTDGAROSA-N -1 1 658.729 6.168 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150445725 571500751 /nfs/dbraw/zinc/50/07/51/571500751.db2.gz QXFMDUZJAZNDKG-DZTJFIFISA-N -1 1 631.751 7.098 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150453776 571503748 /nfs/dbraw/zinc/50/37/48/571503748.db2.gz PFKKDRXKPJAABF-FWOIGAHVSA-N -1 1 637.508 6.121 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457968 571505194 /nfs/dbraw/zinc/50/51/94/571505194.db2.gz LCLFXFGTOJEZFG-QBCYBHDASA-N -1 1 643.787 6.968 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000150458629 571505443 /nfs/dbraw/zinc/50/54/43/571505443.db2.gz TVJYVSLHHKCCKS-VEZPTTSMSA-N -1 1 654.741 6.715 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150458485 571505562 /nfs/dbraw/zinc/50/55/62/571505562.db2.gz NCJXTFSZHJPPNU-ANBMCXBTSA-N -1 1 677.848 8.502 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150461188 571506381 /nfs/dbraw/zinc/50/63/81/571506381.db2.gz MCJRIDKPEDKFFD-HYVCFMKYSA-N -1 1 696.678 8.656 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150463184 571507005 /nfs/dbraw/zinc/50/70/05/571507005.db2.gz IJVXLJJBEOTLQE-QJGFIUGVSA-N -1 1 645.778 7.344 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000150463208 571507024 /nfs/dbraw/zinc/50/70/24/571507024.db2.gz RFPIPEUKSBZXFL-TVKWNQJWSA-N -1 1 641.815 7.658 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150463331 571507077 /nfs/dbraw/zinc/50/70/77/571507077.db2.gz JRXFWVPVMBRSDX-YFFBQLFZSA-N -1 1 641.496 5.221 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463364 571507288 /nfs/dbraw/zinc/50/72/88/571507288.db2.gz ZZKHMJFNQCFEHC-NNZNMFTDSA-N -1 1 647.778 7.498 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150465550 571507852 /nfs/dbraw/zinc/50/78/52/571507852.db2.gz LSQFNIMMUNAZDD-NBXYUPGTSA-N -1 1 706.286 8.401 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150466139 571507936 /nfs/dbraw/zinc/50/79/36/571507936.db2.gz MXAJRSUWDWHJCK-QBCYBHDASA-N -1 1 645.778 7.488 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150469466 571508593 /nfs/dbraw/zinc/50/85/93/571508593.db2.gz UZYONSMJFVBLET-VEZPTTSMSA-N -1 1 708.258 7.849 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000150470210 571509084 /nfs/dbraw/zinc/50/90/84/571509084.db2.gz KIYSKAQPCKRGKO-WGGXKBPPSA-N -1 1 643.787 6.961 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150472922 571510223 /nfs/dbraw/zinc/51/02/23/571510223.db2.gz OWWMOXSWGKUWEZ-ONQGDUAMSA-N -1 1 633.723 6.546 50 30 KKEAMM Cc1cccc(C)c1NC=C1C(=O)C(=O)C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)C(=CNc3c(C)cccc3C)C(=O)C(=O)C4C(C)C)c([O-])c21 ZINC000150473898 571510294 /nfs/dbraw/zinc/51/02/94/571510294.db2.gz YWJYSUBSSNQNNW-QXLZFTBOSA-N -1 1 724.898 10.537 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150476321 571510883 /nfs/dbraw/zinc/51/08/83/571510883.db2.gz HSXAVPDVGAGPRN-QMDVFYPZSA-N -1 1 696.678 8.512 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000150476809 571511073 /nfs/dbraw/zinc/51/10/73/571511073.db2.gz JMJCAKNZIPLTIM-ONQGDUAMSA-N -1 1 628.131 7.035 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150479738 571511729 /nfs/dbraw/zinc/51/17/29/571511729.db2.gz AWMGHMIZEHUAPM-DFXXOVSGSA-N -1 1 647.750 6.936 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150480495 571512148 /nfs/dbraw/zinc/51/21/48/571512148.db2.gz MEKQRJRHOSKDAK-ONQGDUAMSA-N -1 1 684.623 7.714 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150481065 571512281 /nfs/dbraw/zinc/51/22/81/571512281.db2.gz UDOIESNLNHXRJU-CFQDGGCTSA-N -1 1 709.846 7.959 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150481235 571512441 /nfs/dbraw/zinc/51/24/41/571512441.db2.gz KQLDPVDQRDSSCP-TXTDGAROSA-N -1 1 698.650 8.104 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150481696 571512780 /nfs/dbraw/zinc/51/27/80/571512780.db2.gz KLRNWIFWGCGFSE-NXLSWJSLSA-N -1 1 642.542 6.543 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150481980 571512952 /nfs/dbraw/zinc/51/29/52/571512952.db2.gz ILPNVUKTFGLKBO-MIOXIQPJSA-N -1 1 677.776 6.945 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150484751 571515050 /nfs/dbraw/zinc/51/50/50/571515050.db2.gz BXDWTPNMTWWBIQ-CZNAVJSXSA-N -1 1 634.135 6.446 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000150486608 571516300 /nfs/dbraw/zinc/51/63/00/571516300.db2.gz IIGAALXFVCEBDG-WGGXKBPPSA-N -1 1 643.787 7.105 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150486541 571516364 /nfs/dbraw/zinc/51/63/64/571516364.db2.gz MMGBAGCJGIQDKJ-CJJGVWJISA-N -1 1 636.151 6.670 50 30 KKEAMM C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2cc([O-])c3c(occ(-c4ccc(OC)c(OC)c4)c3=O)c21 ZINC000263584787 572115247 /nfs/dbraw/zinc/11/52/47/572115247.db2.gz ARKJFANJPSRHKI-LJQANCHMSA-N -1 1 514.530 5.579 50 30 KKEAMM C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(OC)c(OC)c4)coc-3c21 ZINC000263584787 572115250 /nfs/dbraw/zinc/11/52/50/572115250.db2.gz ARKJFANJPSRHKI-LJQANCHMSA-N -1 1 514.530 5.579 50 30 KKEAMM C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1OC ZINC000263586582 572124253 /nfs/dbraw/zinc/12/42/53/572124253.db2.gz VXSDFOYTDMRXFX-LJQANCHMSA-N -1 1 544.556 5.587 50 30 KKEAMM O=C(Nc1cccc(N=Cc2cc(Br)c(O)c(Br)c2[O-])c1)c1ccc(F)cc1 ZINC000252590183 572266624 /nfs/dbraw/zinc/26/66/24/572266624.db2.gz AQMQXSYAWQRJQJ-UHFFFAOYSA-N -1 1 508.141 5.765 50 30 KKEAMM [O-]c1c(I)cc(I)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000252598712 572267096 /nfs/dbraw/zinc/26/70/96/572267096.db2.gz DCNJOYZTXDMTQO-UHFFFAOYSA-N -1 1 649.234 5.720 50 30 KKEAMM CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)c(Br)c(Br)c1[O-] ZINC000252628139 572270911 /nfs/dbraw/zinc/27/09/11/572270911.db2.gz SJANIYDDBNTBRM-ZNMYEUQISA-N -1 1 556.276 5.566 50 30 KKEAMM Cc1ccc2oc(-c3ccc(N=Cc4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)cc3[O-])nc2c1 ZINC000252632212 572271582 /nfs/dbraw/zinc/27/15/82/572271582.db2.gz VQQTVVLNWGXWNU-UHFFFAOYSA-N -1 1 510.462 6.868 50 30 KKEAMM Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1/N=C/c1cc(Br)ccc1[O-] ZINC000101057650 1069768836 /nfs/dbraw/zinc/76/88/36/1069768836.db2.gz SHLSNSWJUHTFBB-LSHDLFTRSA-N -1 1 516.264 5.682 50 30 KKEAMM COC(=O)C[C@@H](c1ccc(C(C)C)cc1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc(C(C)C)cc2)C(=O)C1=O ZINC000217946990 1071293922 /nfs/dbraw/zinc/29/39/22/1071293922.db2.gz HMWHXBUCCWOTRB-PSWAGMNNSA-N -1 1 548.632 5.703 50 30 biogenic KKEAMM CCOC(=O)c1ccc(-n2c(C)cc(CN=Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[N+](=O)[O-])c2C)cc1 ZINC000254288389 1072843271 /nfs/dbraw/zinc/84/32/71/1072843271.db2.gz FJHGHTXFSCVXQB-UHFFFAOYSA-N -1 1 589.674 6.043 50 30 KKEAMM Cc1cc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])c(C)n1-c1ccccc1C ZINC000254392908 1072851850 /nfs/dbraw/zinc/85/18/50/1072851850.db2.gz JHPLLJAXCLSUTK-UHFFFAOYSA-N -1 1 531.638 6.174 50 30 KKEAMM O=C(N=C1c2ccccc2CN1c1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccc(F)cc1 ZINC000254573733 1072864696 /nfs/dbraw/zinc/86/46/96/1072864696.db2.gz WGLTUCRFOKEEAQ-UHFFFAOYSA-N -1 1 622.644 6.853 50 30 KKEAMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])c1ccc2c(c1)Nc1ccccc1S2 ZINC000254596382 1072866860 /nfs/dbraw/zinc/86/68/60/1072866860.db2.gz VFLIZSZNDATBDG-UHFFFAOYSA-N -1 1 531.619 6.440 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000000631125 551505095 /nfs/dbraw/zinc/50/50/95/551505095.db2.gz JNJDDYHUCHZFGS-OAQYLSRUSA-N -1 1 524.570 5.257 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000000702937 551529755 /nfs/dbraw/zinc/52/97/55/551529755.db2.gz HRVWJIUOTWQXAW-QHCPKHFHSA-N -1 1 532.574 5.591 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)c(OC)c1 ZINC000000719239 551535727 /nfs/dbraw/zinc/53/57/27/551535727.db2.gz HDKHDEPVLFBTBT-QHCPKHFHSA-N -1 1 508.368 5.558 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)c(OC)c1 ZINC000000719240 551535738 /nfs/dbraw/zinc/53/57/38/551535738.db2.gz HDKHDEPVLFBTBT-HSZRJFAPSA-N -1 1 508.368 5.558 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000000730384 551539690 /nfs/dbraw/zinc/53/96/90/551539690.db2.gz IDMQLKSQZOHMBW-QFIPXVFZSA-N -1 1 520.607 5.291 50 30 KKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000958608 551589767 /nfs/dbraw/zinc/58/97/67/551589767.db2.gz FLCQKZJZVKSDED-OAQYLSRUSA-N -1 1 508.043 5.925 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000000959774 551589976 /nfs/dbraw/zinc/58/99/76/551589976.db2.gz MGSFISYFCRDIFL-FQEVSTJZSA-N -1 1 506.559 5.722 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[n-]c(=O)c1[C@@H]2c1ccc2c(c1)OCO2 ZINC000000959809 551589981 /nfs/dbraw/zinc/58/99/81/551589981.db2.gz HSNMIEKELVUMSR-OAQYLSRUSA-N -1 1 522.026 5.645 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1ccc2c(c1)OCO2 ZINC000000959807 551590066 /nfs/dbraw/zinc/59/00/66/551590066.db2.gz BJJWHSLYBRLZQS-OAQYLSRUSA-N -1 1 505.571 5.131 50 30 KKEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000001122445 551613323 /nfs/dbraw/zinc/61/33/23/551613323.db2.gz VQVWLTQYAVNPGC-JOCHJYFZSA-N -1 1 551.640 5.840 50 30 KKEAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccs2)cc1 ZINC000001259065 551633580 /nfs/dbraw/zinc/63/35/80/551633580.db2.gz KGEXVVPEHJTOJQ-XDBZFTIUSA-N -1 1 502.592 5.522 50 30 KKEAMM COc1cc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001322620 551641965 /nfs/dbraw/zinc/64/19/65/551641965.db2.gz YHQQUHQUFYMXJY-SFNQZPIRSA-N -1 1 546.576 5.071 50 30 biogenic KKEAMM COc1cc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001322621 551642077 /nfs/dbraw/zinc/64/20/77/551642077.db2.gz YHQQUHQUFYMXJY-JWRCQZCYSA-N -1 1 546.576 5.071 50 30 biogenic KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000001446500 551674192 /nfs/dbraw/zinc/67/41/92/551674192.db2.gz AQQWBWMXKIPTTH-DEOSSOPVSA-N -1 1 540.597 6.203 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001450341 551675184 /nfs/dbraw/zinc/67/51/84/551675184.db2.gz NGTLVAREBNSXTK-AREMUKBSSA-N -1 1 574.655 6.066 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000001450353 551675280 /nfs/dbraw/zinc/67/52/80/551675280.db2.gz QWXSRWHHAJMJSY-RUZDIDTESA-N -1 1 530.602 5.722 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000001451433 551676048 /nfs/dbraw/zinc/67/60/48/551676048.db2.gz FTMBNLNDEOZMMM-OAQYLSRUSA-N -1 1 523.408 6.306 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccccc3OC)sc2c1 ZINC000001451985 551676397 /nfs/dbraw/zinc/67/63/97/551676397.db2.gz JCCUGDCWQJOWOU-XMMPIXPASA-N -1 1 516.575 5.413 50 30 KKEAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccs2)cc1 ZINC000001457558 551677031 /nfs/dbraw/zinc/67/70/31/551677031.db2.gz MLQHAYFWNWAGKS-ADXZGYQBSA-N -1 1 516.619 5.831 50 30 KKEAMM COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457455 551677124 /nfs/dbraw/zinc/67/71/24/551677124.db2.gz ZXKSBUMYDADIME-NHOCJEJCSA-N -1 1 582.697 6.767 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001457583 551677423 /nfs/dbraw/zinc/67/74/23/551677423.db2.gz VRQJMAFWZJYLJT-APYJYERMSA-N -1 1 567.642 6.658 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc(Br)cc1 ZINC000001469794 551680207 /nfs/dbraw/zinc/68/02/07/551680207.db2.gz CXBOZMZXETWROU-QFIPXVFZSA-N -1 1 533.403 6.481 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001479893 551681162 /nfs/dbraw/zinc/68/11/62/551681162.db2.gz OSQZCSPSGZANNQ-DEOSSOPVSA-N -1 1 530.602 5.722 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001479910 551681224 /nfs/dbraw/zinc/68/12/24/551681224.db2.gz QWOAAVLAMDNHIC-XMMPIXPASA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001479910 551681226 /nfs/dbraw/zinc/68/12/26/551681226.db2.gz QWOAAVLAMDNHIC-XMMPIXPASA-N -1 1 546.601 5.504 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001480155 551681623 /nfs/dbraw/zinc/68/16/23/551681623.db2.gz XQXSLEDQEKHJCO-JOCHJYFZSA-N -1 1 536.993 5.758 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001481487 551682629 /nfs/dbraw/zinc/68/26/29/551682629.db2.gz OJQZXMUBCWLYEN-QFIPXVFZSA-N -1 1 554.983 5.898 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000001481486 551682712 /nfs/dbraw/zinc/68/27/12/551682712.db2.gz QCGILDIEIVQONI-JOCHJYFZSA-N -1 1 524.957 5.889 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001482276 551682724 /nfs/dbraw/zinc/68/27/24/551682724.db2.gz GHZMFQUZEWEPBD-RUZDIDTESA-N -1 1 530.602 5.804 50 30 KKEAMM COc1ccc([C@H]2c3c4nc(-c5cc6ccccc6cc5[O-])nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002424971 552116426 /nfs/dbraw/zinc/11/64/26/552116426.db2.gz ZHLDLMGMGWESQH-RUZDIDTESA-N -1 1 518.573 5.826 50 30 KKEAMM Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002652785 552147495 /nfs/dbraw/zinc/14/74/95/552147495.db2.gz SMCVKZNCYYZQPF-QGZVFWFLSA-N -1 1 533.786 7.430 50 30 KKEAMM [O-]c1c(I)cccc1/C=N/c1ccc2nc(-c3cccc(Br)c3)oc2c1 ZINC000003085115 552286126 /nfs/dbraw/zinc/28/61/26/552286126.db2.gz ZJJJMPUBIAQSSH-FOKLQQMPSA-N -1 1 519.136 6.318 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000004618742 552469248 /nfs/dbraw/zinc/46/92/48/552469248.db2.gz NAJLOJRYHLGAOI-GTYOFVGBSA-N -1 1 538.600 5.547 50 30 KKEAMM CC(C)CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004793650 552485546 /nfs/dbraw/zinc/48/55/46/552485546.db2.gz FPQUWUFVBLGCQF-GOSISDBHSA-N -1 1 502.478 5.871 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000005355279 552498571 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CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000005919153 552512322 /nfs/dbraw/zinc/51/23/22/552512322.db2.gz YENSGDCFDIQIDN-XMMPIXPASA-N -1 1 564.660 5.907 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005919159 552512403 /nfs/dbraw/zinc/51/24/03/552512403.db2.gz VPMOTLDERGMULN-RUZDIDTESA-N -1 1 578.687 6.297 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000005927755 552513025 /nfs/dbraw/zinc/51/30/25/552513025.db2.gz ZYMLTYHALVJJON-QHCPKHFHSA-N -1 1 534.634 5.852 50 30 KKEAMM Cc1c(/N=C/c2cc(Br)ccc2[N-]S(=O)(=O)c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000006101602 552534504 /nfs/dbraw/zinc/53/45/04/552534504.db2.gz XHLCCHRLORBRFW-JVWAILMASA-N -1 1 539.455 5.107 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[n-]c(=O)c1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000006143593 552545165 /nfs/dbraw/zinc/54/51/65/552545165.db2.gz YKJFEXQEFNAQKA-FQEVSTJZSA-N -1 1 523.014 5.824 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000006143930 552545510 /nfs/dbraw/zinc/54/55/10/552545510.db2.gz QXWULKYLVBTWDX-JOCHJYFZSA-N -1 1 503.967 6.075 50 30 KKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)cc2)cc1C ZINC000006144538 552546650 /nfs/dbraw/zinc/54/66/50/552546650.db2.gz QNLMYUGOGMKCIV-WPWMEQJKSA-N -1 1 518.635 5.142 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000006458989 552589986 /nfs/dbraw/zinc/58/99/86/552589986.db2.gz VXTLJXDQZGXTHN-NRFANRHFSA-N -1 1 543.211 6.003 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000008384001 552988307 /nfs/dbraw/zinc/98/83/07/552988307.db2.gz QGPYLERAELMBOD-MHZLTWQESA-N -1 1 595.702 7.233 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000008383994 552988353 /nfs/dbraw/zinc/98/83/53/552988353.db2.gz 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COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000008441670 553041445 /nfs/dbraw/zinc/04/14/45/553041445.db2.gz DEPFHUNJJWREGN-GDLZYMKVSA-N -1 1 582.678 7.567 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008441668 553041461 /nfs/dbraw/zinc/04/14/61/553041461.db2.gz MIEPYFPNYLZJMZ-SANMLTNESA-N -1 1 524.598 6.923 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000008441680 553041481 /nfs/dbraw/zinc/04/14/81/553041481.db2.gz DGRZIWPPEZJVEX-DEOSSOPVSA-N -1 1 514.990 7.096 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000008441680 553041484 /nfs/dbraw/zinc/04/14/84/553041484.db2.gz DGRZIWPPEZJVEX-DEOSSOPVSA-N -1 1 514.990 7.096 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000008441686 553041515 /nfs/dbraw/zinc/04/15/15/553041515.db2.gz PZCQYAYBDQVSLM-DEOSSOPVSA-N -1 1 559.441 7.205 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000008441686 553041517 /nfs/dbraw/zinc/04/15/17/553041517.db2.gz PZCQYAYBDQVSLM-DEOSSOPVSA-N -1 1 559.441 7.205 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000008441732 553041816 /nfs/dbraw/zinc/04/18/16/553041816.db2.gz LJKQUKLBNLEFDN-MHZLTWQESA-N -1 1 552.608 6.789 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000008441732 553041817 /nfs/dbraw/zinc/04/18/17/553041817.db2.gz LJKQUKLBNLEFDN-MHZLTWQESA-N -1 1 552.608 6.789 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000008441713 553041869 /nfs/dbraw/zinc/04/18/69/553041869.db2.gz PZMXBACWMQICOX-HKBQPEDESA-N -1 1 586.669 8.021 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000008441811 553042501 /nfs/dbraw/zinc/04/25/01/553042501.db2.gz OZHJIONCIYXNFC-XMMPIXPASA-N -1 1 509.543 6.168 50 30 KKEAMM COc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(F)cc3)cc(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000008576245 553078061 /nfs/dbraw/zinc/07/80/61/553078061.db2.gz ZMGPGDWUDXSHQJ-UHFFFAOYSA-N -1 1 573.599 5.211 50 30 KKEAMM CCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000008695575 553122197 /nfs/dbraw/zinc/12/21/97/553122197.db2.gz DGCKDRKRTDKKPI-MUUNZHRXSA-N -1 1 506.599 5.492 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000008744165 553133853 /nfs/dbraw/zinc/13/38/53/553133853.db2.gz QOMICXQFMDFZTH-HSZRJFAPSA-N -1 1 504.564 5.642 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000008816756 553152093 /nfs/dbraw/zinc/15/20/93/553152093.db2.gz UMNFBHAMYHPTFO-OAQYLSRUSA-N -1 1 506.605 5.775 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2F)cc1C ZINC000008827730 553157019 /nfs/dbraw/zinc/15/70/19/553157019.db2.gz FIAGTFMLYRGFCU-DEOSSOPVSA-N -1 1 502.567 6.152 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008836076 553162804 /nfs/dbraw/zinc/16/28/04/553162804.db2.gz YNVLOYNXWUTHNM-NRFANRHFSA-N -1 1 508.571 5.674 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008837210 553163810 /nfs/dbraw/zinc/16/38/10/553163810.db2.gz JGAKBAHFZIOUST-QHCPKHFHSA-N -1 1 504.995 6.358 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000008837908 553164735 /nfs/dbraw/zinc/16/47/35/553164735.db2.gz VAXIMGQSQCMREK-XMMPIXPASA-N -1 1 516.575 5.413 50 30 KKEAMM Cc1cccc(Nc2nc(N=NCc3cc(I)cc(I)c3[O-])nc(N3CCC(C)CC3)n2)c1C ZINC000008872978 553174580 /nfs/dbraw/zinc/17/45/80/553174580.db2.gz ZVTHMOWFQWEKTK-UVHMKAGCSA-N -1 1 683.336 5.829 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000008894061 553177514 /nfs/dbraw/zinc/17/75/14/553177514.db2.gz UBEWZONMWZKHEN-QHCPKHFHSA-N -1 1 515.547 5.613 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008894159 553177541 /nfs/dbraw/zinc/17/75/41/553177541.db2.gz XFMSGMNWDGLOQM-RUZDIDTESA-N -1 1 517.050 7.418 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000008904087 553183252 /nfs/dbraw/zinc/18/32/52/553183252.db2.gz RRNQBDRFHUXFHU-HSZRJFAPSA-N -1 1 516.575 5.413 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000008905340 553183707 /nfs/dbraw/zinc/18/37/07/553183707.db2.gz ZOIOQNRUGJSLKE-JOCHJYFZSA-N -1 1 506.605 5.775 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008914184 553185716 /nfs/dbraw/zinc/18/57/16/553185716.db2.gz XCESBQWECVJYBT-RUZDIDTESA-N -1 1 514.603 5.967 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC 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ZINC000009186745 553217790 /nfs/dbraw/zinc/21/77/90/553217790.db2.gz UDEMTDICGLMLOO-XMMPIXPASA-N -1 1 516.575 5.495 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000009243708 553226758 /nfs/dbraw/zinc/22/67/58/553226758.db2.gz BYTKEMAZOVDQJD-OSPHWJPCSA-N -1 1 504.608 5.818 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009244257 553227003 /nfs/dbraw/zinc/22/70/03/553227003.db2.gz HUJMGIXGKXFMLH-FQEVSTJZSA-N -1 1 508.596 5.610 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000009243836 553227105 /nfs/dbraw/zinc/22/71/05/553227105.db2.gz LBRFWYAWVAFTCV-AREMUKBSSA-N -1 1 514.509 5.493 50 30 KKEAMM C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C(=O)[N-]C1=S ZINC000009264483 553229116 /nfs/dbraw/zinc/22/91/16/553229116.db2.gz DYJPDRHBFTZQES-HZHRSRAPSA-N -1 1 506.027 5.139 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000009271409 553230637 /nfs/dbraw/zinc/23/06/37/553230637.db2.gz WMSWXAILMOKEEY-QHCPKHFHSA-N -1 1 502.548 5.105 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009271328 553230692 /nfs/dbraw/zinc/23/06/92/553230692.db2.gz DJVAUPUDFGCTKL-QFIPXVFZSA-N -1 1 504.633 6.447 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000009271661 553231328 /nfs/dbraw/zinc/23/13/28/553231328.db2.gz PQPKVAODPNREDN-HSZRJFAPSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000009271661 553231329 /nfs/dbraw/zinc/23/13/29/553231329.db2.gz PQPKVAODPNREDN-HSZRJFAPSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000009272018 553231459 /nfs/dbraw/zinc/23/14/59/553231459.db2.gz YGPPWDWWGHTLNP-OAQYLSRUSA-N -1 1 511.372 5.526 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000009272018 553231460 /nfs/dbraw/zinc/23/14/60/553231460.db2.gz YGPPWDWWGHTLNP-OAQYLSRUSA-N -1 1 511.372 5.526 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000009272895 553232102 /nfs/dbraw/zinc/23/21/02/553232102.db2.gz XDASVYPVOPYBOQ-HXUWFJFHSA-N -1 1 502.832 6.050 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000009273316 553232226 /nfs/dbraw/zinc/23/22/26/553232226.db2.gz LJFWCZFZYKLTAS-HSZRJFAPSA-N -1 1 504.564 5.615 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000009273316 553232227 /nfs/dbraw/zinc/23/22/27/553232227.db2.gz LJFWCZFZYKLTAS-HSZRJFAPSA-N -1 1 504.564 5.615 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009275784 553232777 /nfs/dbraw/zinc/23/27/77/553232777.db2.gz IUJMTRCEGZFAOL-VWLOTQADSA-N -1 1 516.594 6.740 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009290922 553234480 /nfs/dbraw/zinc/23/44/80/553234480.db2.gz QHENEMAXFPOTIF-PUAOIOHZSA-N -1 1 512.587 5.720 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000009308701 553237714 /nfs/dbraw/zinc/23/77/14/553237714.db2.gz OADZQRTUGGJEIW-MYYSRTQBSA-N -1 1 513.575 5.196 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000009308701 553237715 /nfs/dbraw/zinc/23/77/15/553237715.db2.gz OADZQRTUGGJEIW-MYYSRTQBSA-N -1 1 513.575 5.196 50 30 KKEAMM COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccc(F)cc2)c1 ZINC000009310804 553239131 /nfs/dbraw/zinc/23/91/31/553239131.db2.gz SAVRJAXDQDNWBI-KEEVHDRGSA-N -1 1 514.553 5.600 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009329206 553242286 /nfs/dbraw/zinc/24/22/86/553242286.db2.gz KTHRUTZRWJENTO-SANMLTNESA-N -1 1 520.582 5.742 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009333935 553242865 /nfs/dbraw/zinc/24/28/65/553242865.db2.gz GHJTXLSJIWJULK-DEOSSOPVSA-N -1 1 500.595 6.824 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009334189 553243070 /nfs/dbraw/zinc/24/30/70/553243070.db2.gz PTCJVSSUCZGKLJ-DEOSSOPVSA-N -1 1 516.619 6.677 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000009339578 553243645 /nfs/dbraw/zinc/24/36/45/553243645.db2.gz IICLUEJYTAPNRI-IBGZPJMESA-N -1 1 501.347 5.988 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009339561 553243692 /nfs/dbraw/zinc/24/36/92/553243692.db2.gz YBZDPECCCBQMQD-HXUWFJFHSA-N -1 1 508.577 5.167 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000009339577 553243733 /nfs/dbraw/zinc/24/37/33/553243733.db2.gz IICLUEJYTAPNRI-LJQANCHMSA-N -1 1 501.347 5.988 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000009353260 553245367 /nfs/dbraw/zinc/24/53/67/553245367.db2.gz VPQGCEFPWPXNKK-QFIPXVFZSA-N -1 1 503.511 5.743 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009353429 553245586 /nfs/dbraw/zinc/24/55/86/553245586.db2.gz UXHOXXQULSTONX-QHCPKHFHSA-N -1 1 502.548 5.105 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccnc3)s2)cc1 ZINC000009360151 553248374 /nfs/dbraw/zinc/24/83/74/553248374.db2.gz HLMNRKAHONXZGV-NRFANRHFSA-N -1 1 500.605 5.317 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009360409 553248452 /nfs/dbraw/zinc/24/84/52/553248452.db2.gz ADQQJGZKEYCQAD-LMKMVOKYSA-N -1 1 512.587 5.720 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000009373846 553250709 /nfs/dbraw/zinc/25/07/09/553250709.db2.gz HNNJYIFHCVQULG-GIGQVBGESA-N -1 1 502.379 5.260 50 30 KKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000009424746 553258876 /nfs/dbraw/zinc/25/88/76/553258876.db2.gz QCLIZSXSADCQLC-RUZDIDTESA-N -1 1 500.938 5.998 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000009436557 553264540 /nfs/dbraw/zinc/26/45/40/553264540.db2.gz HWWRTYPEFIDGNN-JCQPUDPBSA-N -1 1 504.514 5.681 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccs3)nc2c(C)c1 ZINC000009436660 553264620 /nfs/dbraw/zinc/26/46/20/553264620.db2.gz KLGNOJOPXSRGBO-JOCHJYFZSA-N -1 1 504.589 5.529 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)sc2c1 ZINC000009454685 553266296 /nfs/dbraw/zinc/26/62/96/553266296.db2.gz CCUUTWBIFKLKEW-QHCPKHFHSA-N -1 1 502.523 5.298 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)sc2c1 ZINC000009454685 553266298 /nfs/dbraw/zinc/26/62/98/553266298.db2.gz CCUUTWBIFKLKEW-QHCPKHFHSA-N -1 1 502.523 5.298 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(O)c(OC)c2)c1 ZINC000009461043 553267138 /nfs/dbraw/zinc/26/71/38/553267138.db2.gz CQPGIXVSHSLFBK-HSZRJFAPSA-N -1 1 502.548 5.110 50 30 KKEAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccc(F)cc2)cc1 ZINC000009482618 553272664 /nfs/dbraw/zinc/27/26/64/553272664.db2.gz VYDPQLBRJPHVJV-UKPGIYTDSA-N -1 1 528.580 5.908 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000009510935 553276215 /nfs/dbraw/zinc/27/62/15/553276215.db2.gz NFCXIDHYKKJBGH-JBEBIEQOSA-N -1 1 514.559 5.117 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000009510937 553276345 /nfs/dbraw/zinc/27/63/45/553276345.db2.gz NFCXIDHYKKJBGH-LFPIHBKWSA-N -1 1 514.559 5.117 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccnc2)cc1 ZINC000009600981 553286460 /nfs/dbraw/zinc/28/64/60/553286460.db2.gz FFJPCMOQWXRXQZ-UVDDSOTQSA-N -1 1 523.633 6.145 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccnc2)cc1 ZINC000009600982 553286482 /nfs/dbraw/zinc/28/64/82/553286482.db2.gz FFJPCMOQWXRXQZ-UGDMGKLASA-N -1 1 523.633 6.145 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccnc2)cc1 ZINC000009600983 553286492 /nfs/dbraw/zinc/28/64/92/553286492.db2.gz FFJPCMOQWXRXQZ-JPZYQRIQSA-N -1 1 523.633 6.145 50 30 KKEAMM COc1ccc(OC)c([C@@H]2c3c(=O)[n-]c(SCc4ccccc4C)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009608810 553287759 /nfs/dbraw/zinc/28/77/59/553287759.db2.gz FOVFLYDBIVMVLO-QHCPKHFHSA-N -1 1 517.651 5.588 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000009994093 553324763 /nfs/dbraw/zinc/32/47/63/553324763.db2.gz UGEDZZPHQOPNKL-OAQYLSRUSA-N -1 1 522.554 5.033 50 30 KKEAMM O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000011026285 553338813 /nfs/dbraw/zinc/33/88/13/553338813.db2.gz FVVKZEGGHALWRI-AREMUKBSSA-N -1 1 539.632 6.757 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000013548373 553469934 /nfs/dbraw/zinc/46/99/34/553469934.db2.gz YYBRSMMUHYXKRF-DEOSSOPVSA-N -1 1 516.575 5.413 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000013552627 553470968 /nfs/dbraw/zinc/47/09/68/553470968.db2.gz LVUNRMFUSKXNKD-LJQANCHMSA-N -1 1 503.736 5.190 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000013569584 553473568 /nfs/dbraw/zinc/47/35/68/553473568.db2.gz AJKZJHIFQTXSHY-QFIPXVFZSA-N -1 1 504.564 5.560 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000013569584 553473570 /nfs/dbraw/zinc/47/35/70/553473570.db2.gz AJKZJHIFQTXSHY-QFIPXVFZSA-N -1 1 504.564 5.560 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c1[C@H]2c1cccc(O)c1 ZINC000016286634 553558808 /nfs/dbraw/zinc/55/88/08/553558808.db2.gz BOYRTHONCDJYLG-FQEVSTJZSA-N -1 1 504.568 5.289 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000016730513 553576537 /nfs/dbraw/zinc/57/65/37/553576537.db2.gz HAABLHNHMXQWQZ-QFIPXVFZSA-N -1 1 520.582 5.587 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000016730513 553576540 /nfs/dbraw/zinc/57/65/40/553576540.db2.gz HAABLHNHMXQWQZ-QFIPXVFZSA-N -1 1 520.582 5.587 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccnc2)cc1 ZINC000016742030 553580045 /nfs/dbraw/zinc/58/00/45/553580045.db2.gz OZTKTTMOKXUMOE-OAQYLSRUSA-N -1 1 516.604 5.017 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000016742457 553580455 /nfs/dbraw/zinc/58/04/55/553580455.db2.gz YHFCDGOWUSUZQJ-XMMPIXPASA-N -1 1 512.543 5.490 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000016742458 553580462 /nfs/dbraw/zinc/58/04/62/553580462.db2.gz YHFCDGOWUSUZQJ-DEOSSOPVSA-N -1 1 512.543 5.490 50 30 KKEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017041212 553587106 /nfs/dbraw/zinc/58/71/06/553587106.db2.gz FGKSDHVLEWLHGO-NRFANRHFSA-N -1 1 502.596 5.892 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(Cl)c3)[n-]c(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000020181751 553604599 /nfs/dbraw/zinc/60/45/99/553604599.db2.gz YGRBMCQCQZCOMS-FQEVSTJZSA-N -1 1 523.014 6.237 50 30 KKEAMM C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096114601 553725355 /nfs/dbraw/zinc/72/53/55/553725355.db2.gz IJSMTWMIPNTWQJ-SFHVURJKSA-N -1 1 500.503 5.276 50 30 biogenic KKEAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(Cl)cc3Cl)C2)cc1 ZINC000097948666 553795756 /nfs/dbraw/zinc/79/57/56/553795756.db2.gz FWLTYWSPPBMUBK-QTYPKTMWSA-N -1 1 591.535 8.056 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000097952209 553813775 /nfs/dbraw/zinc/81/37/75/553813775.db2.gz BCQHHVRTVGSKDP-XMMPIXPASA-N -1 1 527.558 5.722 50 30 KKEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000097952177 553813801 /nfs/dbraw/zinc/81/38/01/553813801.db2.gz SJVJCVCNHGMNNW-JOCHJYFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000097952177 553813802 /nfs/dbraw/zinc/81/38/02/553813802.db2.gz SJVJCVCNHGMNNW-JOCHJYFZSA-N -1 1 535.419 6.159 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952444 553815672 /nfs/dbraw/zinc/81/56/72/553815672.db2.gz HEAFGJUKBSHDIM-AREMUKBSSA-N -1 1 528.630 6.439 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097952549 553816642 /nfs/dbraw/zinc/81/66/42/553816642.db2.gz UDTHFYCXQCZIQD-QFIPXVFZSA-N -1 1 536.631 5.729 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097952549 553816643 /nfs/dbraw/zinc/81/66/43/553816643.db2.gz UDTHFYCXQCZIQD-QFIPXVFZSA-N -1 1 536.631 5.729 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000097952565 553816707 /nfs/dbraw/zinc/81/67/07/553816707.db2.gz MPYLMNYTOWUMFF-QHCPKHFHSA-N -1 1 535.021 6.312 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000097952565 553816709 /nfs/dbraw/zinc/81/67/09/553816709.db2.gz MPYLMNYTOWUMFF-QHCPKHFHSA-N -1 1 535.021 6.312 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000097952589 553817130 /nfs/dbraw/zinc/81/71/30/553817130.db2.gz DGQQUQDONUWWLS-SANMLTNESA-N -1 1 526.614 6.215 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097952954 553818098 /nfs/dbraw/zinc/81/80/98/553818098.db2.gz QHYMFADKHGJUSJ-SANMLTNESA-N -1 1 542.613 5.982 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)sc2c1 ZINC000097954007 553820520 /nfs/dbraw/zinc/82/05/20/553820520.db2.gz SFEXJRAVXNOJHU-XMMPIXPASA-N -1 1 532.549 5.388 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097954051 553821043 /nfs/dbraw/zinc/82/10/43/553821043.db2.gz CGHAIYPQEJDVSX-XMMPIXPASA-N -1 1 548.617 5.387 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccs3)sc2c1 ZINC000097954033 553821050 /nfs/dbraw/zinc/82/10/50/553821050.db2.gz XJXDNXBSXVXVHM-QFIPXVFZSA-N -1 1 520.588 5.311 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955034 553827489 /nfs/dbraw/zinc/82/74/89/553827489.db2.gz NEPSPYLXSDQMNY-PWECECGKSA-N -1 1 546.576 5.559 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955034 553827491 /nfs/dbraw/zinc/82/74/91/553827491.db2.gz NEPSPYLXSDQMNY-PWECECGKSA-N -1 1 546.576 5.559 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955019 553827530 /nfs/dbraw/zinc/82/75/30/553827530.db2.gz LACSRIVUSLOSCQ-JYRCXFKTSA-N -1 1 588.657 6.729 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955019 553827531 /nfs/dbraw/zinc/82/75/31/553827531.db2.gz LACSRIVUSLOSCQ-JYRCXFKTSA-N -1 1 588.657 6.729 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955022 553827556 /nfs/dbraw/zinc/82/75/56/553827556.db2.gz HXKXCGDYAOBFQG-YHAMSUFESA-N -1 1 545.060 7.179 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955057 553827843 /nfs/dbraw/zinc/82/78/43/553827843.db2.gz OUFQQDVSJKWBMO-RZFZLAGVSA-N -1 1 549.004 5.770 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000097955074 553828392 /nfs/dbraw/zinc/82/83/92/553828392.db2.gz YFNVHVSNWPDBPD-DXPJPUQTSA-N -1 1 542.613 5.810 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955117 553828811 /nfs/dbraw/zinc/82/88/11/553828811.db2.gz XTCCZDXGNQAXNB-SGANQWHYSA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955117 553828813 /nfs/dbraw/zinc/82/88/13/553828813.db2.gz XTCCZDXGNQAXNB-SGANQWHYSA-N -1 1 547.032 6.455 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097955135 553829043 /nfs/dbraw/zinc/82/90/43/553829043.db2.gz MVMDIRUTSOXQNM-RBSBEOHCSA-N -1 1 602.684 6.975 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097955135 553829047 /nfs/dbraw/zinc/82/90/47/553829047.db2.gz MVMDIRUTSOXQNM-RBSBEOHCSA-N -1 1 602.684 6.975 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097955148 553829117 /nfs/dbraw/zinc/82/91/17/553829117.db2.gz CQFYQYZEIRGOQV-ODCWNRFASA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097955148 553829119 /nfs/dbraw/zinc/82/91/19/553829119.db2.gz CQFYQYZEIRGOQV-ODCWNRFASA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955179 553829349 /nfs/dbraw/zinc/82/93/49/553829349.db2.gz HPVCZNGJTYIQHD-PWECECGKSA-N -1 1 563.031 6.160 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955179 553829352 /nfs/dbraw/zinc/82/93/52/553829352.db2.gz HPVCZNGJTYIQHD-PWECECGKSA-N -1 1 563.031 6.160 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000097955218 553829859 /nfs/dbraw/zinc/82/98/59/553829859.db2.gz VHGSHLRJPVXKPD-WGDIFIGCSA-N -1 1 526.614 6.110 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000097955239 553830141 /nfs/dbraw/zinc/83/01/41/553830141.db2.gz MXWUXHVHVOHHSL-PUAOIOHZSA-N -1 1 531.033 6.673 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000097955257 553830301 /nfs/dbraw/zinc/83/03/01/553830301.db2.gz MPKQYPFDDFPIID-GDLZYMKVSA-N -1 1 608.716 7.027 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097955234 553830359 /nfs/dbraw/zinc/83/03/59/553830359.db2.gz OCUAPFYXMXACSF-HHHXNRCGSA-N -1 1 582.678 6.471 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000097955599 553831672 /nfs/dbraw/zinc/83/16/72/553831672.db2.gz HHSAHDPRDVBNNE-NPMXOYFQSA-N -1 1 548.617 5.133 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000097955599 553831676 /nfs/dbraw/zinc/83/16/76/553831676.db2.gz HHSAHDPRDVBNNE-NPMXOYFQSA-N -1 1 548.617 5.133 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000097955626 553832024 /nfs/dbraw/zinc/83/20/24/553832024.db2.gz ZQNINOHOGRILDT-ODCWNRFASA-N -1 1 528.586 5.420 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097955685 553832741 /nfs/dbraw/zinc/83/27/41/553832741.db2.gz PYEUIRYLLVTZGS-IZHWHUGBSA-N -1 1 527.558 5.619 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097955677 553832762 /nfs/dbraw/zinc/83/27/62/553832762.db2.gz JJLFDHGUIZXSBS-QMTYFTJSSA-N -1 1 542.613 5.728 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097955730 553833111 /nfs/dbraw/zinc/83/31/11/553833111.db2.gz RAGZBCVUFQDARK-CGKQSPDFSA-N -1 1 636.701 7.519 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097955730 553833113 /nfs/dbraw/zinc/83/31/13/553833113.db2.gz RAGZBCVUFQDARK-CGKQSPDFSA-N -1 1 636.701 7.519 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955850 553834716 /nfs/dbraw/zinc/83/47/16/553834716.db2.gz BSHIIZCSTUITQC-ODCWNRFASA-N -1 1 528.586 5.420 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097956535 553839448 /nfs/dbraw/zinc/83/94/48/553839448.db2.gz HATVPPTZTQFWCZ-HWRSSNJWSA-N -1 1 544.585 5.125 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097956535 553839449 /nfs/dbraw/zinc/83/94/49/553839449.db2.gz HATVPPTZTQFWCZ-HWRSSNJWSA-N -1 1 544.585 5.125 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OCC)nc1C ZINC000097956850 553842573 /nfs/dbraw/zinc/84/25/73/553842573.db2.gz RRFYTZYQLGAWPN-JOCHJYFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OCC)nc1C ZINC000097956850 553842575 /nfs/dbraw/zinc/84/25/75/553842575.db2.gz RRFYTZYQLGAWPN-JOCHJYFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097956865 553842640 /nfs/dbraw/zinc/84/26/40/553842640.db2.gz LMUUCLHAOZOOHK-HHHXNRCGSA-N -1 1 582.678 6.471 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000097956861 553842737 /nfs/dbraw/zinc/84/27/37/553842737.db2.gz FFTWLGZPWPGMRA-HSZRJFAPSA-N -1 1 548.592 5.590 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097966811 553910688 /nfs/dbraw/zinc/91/06/88/553910688.db2.gz AKIYGPRAKYAXMI-JOCHJYFZSA-N -1 1 553.409 6.380 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097967036 553913152 /nfs/dbraw/zinc/91/31/52/553913152.db2.gz GOQSNHKMHPACTG-HHHXNRCGSA-N -1 1 614.676 5.926 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccccc2)nc1C ZINC000097967151 553914355 /nfs/dbraw/zinc/91/43/55/553914355.db2.gz YWKXLULHBVRDJB-SANMLTNESA-N -1 1 568.651 6.299 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccccc2)nc1C ZINC000097967151 553914357 /nfs/dbraw/zinc/91/43/57/553914357.db2.gz YWKXLULHBVRDJB-SANMLTNESA-N -1 1 568.651 6.299 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097967258 553915729 /nfs/dbraw/zinc/91/57/29/553915729.db2.gz DLBLCRDWBDTUGJ-LMKMVOKYSA-N -1 1 575.484 6.782 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097967293 553916120 /nfs/dbraw/zinc/91/61/20/553916120.db2.gz ARSPPJOWCMRPOE-DNOBIOAJSA-N -1 1 596.661 5.923 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097967293 553916122 /nfs/dbraw/zinc/91/61/22/553916122.db2.gz ARSPPJOWCMRPOE-DNOBIOAJSA-N -1 1 596.661 5.923 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097967270 553916369 /nfs/dbraw/zinc/91/63/69/553916369.db2.gz JFIHGISKMZVRQQ-LJAQVGFWSA-N -1 1 635.138 7.472 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967303 553916787 /nfs/dbraw/zinc/91/67/87/553916787.db2.gz BOVOOFBVHOKRNE-NDEPHWFRSA-N -1 1 602.665 6.047 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967303 553916788 /nfs/dbraw/zinc/91/67/88/553916788.db2.gz BOVOOFBVHOKRNE-NDEPHWFRSA-N -1 1 602.665 6.047 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000097967326 553916815 /nfs/dbraw/zinc/91/68/15/553916815.db2.gz QRUCWGBDRFNKLQ-ZAMGYDSWSA-N -1 1 565.420 6.304 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967302 553916830 /nfs/dbraw/zinc/91/68/30/553916830.db2.gz BOVOOFBVHOKRNE-MUUNZHRXSA-N -1 1 602.665 6.047 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967302 553916832 /nfs/dbraw/zinc/91/68/32/553916832.db2.gz BOVOOFBVHOKRNE-MUUNZHRXSA-N -1 1 602.665 6.047 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097967356 553917281 /nfs/dbraw/zinc/91/72/81/553917281.db2.gz LTYMDGVBYOXIHV-RKOGDMNLSA-N -1 1 572.639 5.819 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097967356 553917282 /nfs/dbraw/zinc/91/72/82/553917282.db2.gz LTYMDGVBYOXIHV-RKOGDMNLSA-N -1 1 572.639 5.819 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097967451 553918496 /nfs/dbraw/zinc/91/84/96/553918496.db2.gz AUVUHUUSWSYYMU-WRGVRERRSA-N -1 1 598.721 7.226 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097967443 553918507 /nfs/dbraw/zinc/91/85/07/553918507.db2.gz GAAUQLCHNSTAKL-NSYGIPOTSA-N -1 1 599.690 5.723 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967439 553918511 /nfs/dbraw/zinc/91/85/11/553918511.db2.gz MDEUDPYMMFEUJI-SONOPUAISA-N -1 1 582.678 6.675 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967563 553920108 /nfs/dbraw/zinc/92/01/08/553920108.db2.gz GYKHENBMFVNPET-JCOAXYOVSA-N -1 1 612.748 7.679 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967596 553920655 /nfs/dbraw/zinc/92/06/55/553920655.db2.gz LMJKMAVCZXWNGS-PKHCJMHPSA-N -1 1 628.747 7.379 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967604 553920669 /nfs/dbraw/zinc/92/06/69/553920669.db2.gz YFLJRCRWEHLJFX-OLILMLBXSA-N -1 1 645.778 7.501 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967668 553921328 /nfs/dbraw/zinc/92/13/28/553921328.db2.gz OFIDRYLABPJCDO-YHAMSUFESA-N -1 1 559.043 6.621 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967668 553921333 /nfs/dbraw/zinc/92/13/33/553921333.db2.gz OFIDRYLABPJCDO-YHAMSUFESA-N -1 1 559.043 6.621 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967666 553921370 /nfs/dbraw/zinc/92/13/70/553921370.db2.gz OFIDRYLABPJCDO-DXPJPUQTSA-N -1 1 559.043 6.621 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967666 553921371 /nfs/dbraw/zinc/92/13/71/553921371.db2.gz OFIDRYLABPJCDO-DXPJPUQTSA-N -1 1 559.043 6.621 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097967644 553921385 /nfs/dbraw/zinc/92/13/85/553921385.db2.gz GQDBYZUWOKBZJV-QLXKLKPCSA-N -1 1 604.681 5.698 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097967644 553921388 /nfs/dbraw/zinc/92/13/88/553921388.db2.gz GQDBYZUWOKBZJV-QLXKLKPCSA-N -1 1 604.681 5.698 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097967672 553921393 /nfs/dbraw/zinc/92/13/93/553921393.db2.gz GNFQORWHTZHRIM-OYLFLEFRSA-N -1 1 561.457 6.474 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097967651 553921433 /nfs/dbraw/zinc/92/14/33/553921433.db2.gz JPNQZRSZEZYKBF-DNOBIOAJSA-N -1 1 554.624 5.837 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097967651 553921435 /nfs/dbraw/zinc/92/14/35/553921435.db2.gz JPNQZRSZEZYKBF-DNOBIOAJSA-N -1 1 554.624 5.837 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967679 553921771 /nfs/dbraw/zinc/92/17/71/553921771.db2.gz SYYMIMMIEKLIHB-SLQAJWMNSA-N -1 1 584.694 6.817 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967724 553922103 /nfs/dbraw/zinc/92/21/03/553922103.db2.gz SEAMEGNRXCRTEQ-ROTAYESASA-N -1 1 682.223 8.169 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967722 553922180 /nfs/dbraw/zinc/92/21/80/553922180.db2.gz SEAMEGNRXCRTEQ-UKPGIYTDSA-N -1 1 682.223 8.169 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967755 553922651 /nfs/dbraw/zinc/92/26/51/553922651.db2.gz SLHVHCHXIFFGPA-NGOKVRLYSA-N -1 1 611.745 6.810 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967736 553922858 /nfs/dbraw/zinc/92/28/58/553922858.db2.gz DSYRIIJYHPDRLC-PPGPUPIYSA-N -1 1 760.721 9.221 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967786 553923152 /nfs/dbraw/zinc/92/31/52/553923152.db2.gz JEASGVFSLTVXFZ-LFPIHBKWSA-N -1 1 577.456 6.174 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000097967832 553924101 /nfs/dbraw/zinc/92/41/01/553924101.db2.gz RDIAFZGCJPLFEW-GEFUHLBYSA-N -1 1 740.731 9.067 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000097967833 553924158 /nfs/dbraw/zinc/92/41/58/553924158.db2.gz RDIAFZGCJPLFEW-PLTNMMHCSA-N -1 1 740.731 9.067 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967881 553924655 /nfs/dbraw/zinc/92/46/55/553924655.db2.gz UIZNVBVRPNRAGH-SANMLTNESA-N -1 1 617.680 6.088 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967902 553924934 /nfs/dbraw/zinc/92/49/34/553924934.db2.gz CSKQGMBJQACUMI-YTTGMZPUSA-N -1 1 762.693 8.669 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097967942 553925335 /nfs/dbraw/zinc/92/53/35/553925335.db2.gz OGSVYENYWTYDNT-DEOSSOPVSA-N -1 1 608.097 6.047 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097967941 553925456 /nfs/dbraw/zinc/92/54/56/553925456.db2.gz OGSVYENYWTYDNT-XMMPIXPASA-N -1 1 608.097 6.047 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097967971 553925626 /nfs/dbraw/zinc/92/56/26/553925626.db2.gz REMPVJBLESSQJG-NDEPHWFRSA-N -1 1 651.722 6.324 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967958 553925703 /nfs/dbraw/zinc/92/57/03/553925703.db2.gz WNGCIBPDCBYSNF-LBEKAKSKSA-N -1 1 710.661 8.207 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097968013 553926050 /nfs/dbraw/zinc/92/60/50/553926050.db2.gz NSSLFSKOHWEFPC-AREMUKBSSA-N -1 1 603.697 6.647 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097968003 553926060 /nfs/dbraw/zinc/92/60/60/553926060.db2.gz HIGVSZHLKTWPSO-JBEBIEQOSA-N -1 1 628.534 7.383 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968010 553926104 /nfs/dbraw/zinc/92/61/04/553926104.db2.gz GHMSCXKQVUHYJF-NDEPHWFRSA-N -1 1 678.188 7.001 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968034 553926583 /nfs/dbraw/zinc/92/65/83/553926583.db2.gz UHPYSDSZCSBSAF-MHZLTWQESA-N -1 1 666.177 6.835 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968024 553926670 /nfs/dbraw/zinc/92/66/70/553926670.db2.gz JZMCWDYZGCHOLG-NDEPHWFRSA-N -1 1 645.759 6.572 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097968062 553927159 /nfs/dbraw/zinc/92/71/59/553927159.db2.gz DDHHNZVGGLDFSV-SSEXGKCCSA-N -1 1 614.720 6.982 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097968080 553927307 /nfs/dbraw/zinc/92/73/07/553927307.db2.gz FXUHWXCZLQFBCA-AREMUKBSSA-N -1 1 603.697 6.647 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968087 553927325 /nfs/dbraw/zinc/92/73/25/553927325.db2.gz HNJNLKSKVQPLNG-YTTGMZPUSA-N -1 1 679.820 7.963 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097968146 553928395 /nfs/dbraw/zinc/92/83/95/553928395.db2.gz BLXHVPIOJMWWPB-SSEXGKCCSA-N -1 1 635.767 7.661 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097968146 553928397 /nfs/dbraw/zinc/92/83/97/553928397.db2.gz BLXHVPIOJMWWPB-SSEXGKCCSA-N -1 1 635.767 7.661 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000097968190 553928712 /nfs/dbraw/zinc/92/87/12/553928712.db2.gz GBXTXCSLZRAKCL-JGCGQSQUSA-N -1 1 711.793 7.501 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968223 553929242 /nfs/dbraw/zinc/92/92/42/553929242.db2.gz RCAYTNWITBUXLI-NDEPHWFRSA-N -1 1 645.759 6.490 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000097968244 553929524 /nfs/dbraw/zinc/92/95/24/553929524.db2.gz FLIYZQDPDZXOCQ-HHHXNRCGSA-N -1 1 599.734 6.816 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968254 553929637 /nfs/dbraw/zinc/92/96/37/553929637.db2.gz BUYXYRYKBAOYBW-HHHXNRCGSA-N -1 1 633.723 6.703 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097968299 553930283 /nfs/dbraw/zinc/93/02/83/553930283.db2.gz MIRKDLLUEFMJRE-AREMUKBSSA-N -1 1 620.152 7.161 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097968305 553930355 /nfs/dbraw/zinc/93/03/55/553930355.db2.gz XRCQEQOVTRJSGM-QTEAWJPNSA-N -1 1 616.711 7.365 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097968305 553930357 /nfs/dbraw/zinc/93/03/57/553930357.db2.gz XRCQEQOVTRJSGM-QTEAWJPNSA-N -1 1 616.711 7.365 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097968304 553930361 /nfs/dbraw/zinc/93/03/61/553930361.db2.gz XRCQEQOVTRJSGM-HZAQMHFWSA-N -1 1 616.711 7.365 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097968304 553930363 /nfs/dbraw/zinc/93/03/63/553930363.db2.gz XRCQEQOVTRJSGM-HZAQMHFWSA-N -1 1 616.711 7.365 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968342 553930789 /nfs/dbraw/zinc/93/07/89/553930789.db2.gz SQWKXVLEBPNVIA-HKBQPEDESA-N -1 1 687.840 7.661 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968387 553932038 /nfs/dbraw/zinc/93/20/38/553932038.db2.gz DNGNDUUIHCQRJL-AREMUKBSSA-N -1 1 636.151 6.827 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097968424 553932460 /nfs/dbraw/zinc/93/24/60/553932460.db2.gz PNPNKUAJISYFDB-HSZRJFAPSA-N -1 1 596.061 6.177 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097969097 553936676 /nfs/dbraw/zinc/93/66/76/553936676.db2.gz YOPXNCLAIFERHT-QHCPKHFHSA-N -1 1 548.661 6.026 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969128 553937090 /nfs/dbraw/zinc/93/70/90/553937090.db2.gz NRPXHEPRIBZVTO-CBZJRKILSA-N -1 1 556.640 6.200 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097969173 553937376 /nfs/dbraw/zinc/93/73/76/553937376.db2.gz SKRMMPJOKWQXRQ-NPMABZOXSA-N -1 1 581.875 6.819 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097969155 553937441 /nfs/dbraw/zinc/93/74/41/553937441.db2.gz ARVUTJUCXDOALP-JMQGSBJISA-N -1 1 570.667 6.508 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969243 553938339 /nfs/dbraw/zinc/93/83/39/553938339.db2.gz LIFASENJOXSXRD-NDEPHWFRSA-N -1 1 621.111 7.081 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969254 553938662 /nfs/dbraw/zinc/93/86/62/553938662.db2.gz MPICMOCLCBGXDP-WRHNGFHOSA-N -1 1 570.667 6.590 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969274 553938831 /nfs/dbraw/zinc/93/88/31/553938831.db2.gz QWXFTZGHMPHVBT-ACSYHNTCSA-N -1 1 662.233 8.159 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969293 553939202 /nfs/dbraw/zinc/93/92/02/553939202.db2.gz WUUBQBIYFDFACY-WTYVLRPYSA-N -1 1 613.761 7.116 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097969306 553939226 /nfs/dbraw/zinc/93/92/26/553939226.db2.gz IYRWEOCMHHKBJK-QPHCHLROSA-N -1 1 639.129 7.644 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000097969351 553940043 /nfs/dbraw/zinc/94/00/43/553940043.db2.gz VMQLPWCVMRDZBD-SFDCACGMSA-N -1 1 555.414 6.849 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000097969350 553940246 /nfs/dbraw/zinc/94/02/46/553940246.db2.gz VMQLPWCVMRDZBD-MYODQAERSA-N -1 1 555.414 6.849 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000097969410 553940810 /nfs/dbraw/zinc/94/08/10/553940810.db2.gz UOQWPEJTJZOHSP-HXUWFJFHSA-N -1 1 592.081 6.757 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969459 553941240 /nfs/dbraw/zinc/94/12/40/553941240.db2.gz FKHCSWFQWHIKRL-NDEPHWFRSA-N -1 1 658.729 6.324 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097969590 553942576 /nfs/dbraw/zinc/94/25/76/553942576.db2.gz XJYHAOMGDXJZLN-ROTAYESASA-N -1 1 612.748 7.453 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097969588 553942661 /nfs/dbraw/zinc/94/26/61/553942661.db2.gz XJYHAOMGDXJZLN-JCOAXYOVSA-N -1 1 612.748 7.453 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097969626 553942944 /nfs/dbraw/zinc/94/29/44/553942944.db2.gz JXZXLTNFENXDMS-LDLUVENISA-N -1 1 595.076 7.848 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097969626 553942946 /nfs/dbraw/zinc/94/29/46/553942946.db2.gz JXZXLTNFENXDMS-LDLUVENISA-N -1 1 595.076 7.848 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097969612 553942955 /nfs/dbraw/zinc/94/29/55/553942955.db2.gz ASNGCVFDXRVYLD-XRHLQHRESA-N -1 1 616.692 5.864 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097969612 553942957 /nfs/dbraw/zinc/94/29/57/553942957.db2.gz ASNGCVFDXRVYLD-XRHLQHRESA-N -1 1 616.692 5.864 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097969631 553943358 /nfs/dbraw/zinc/94/33/58/553943358.db2.gz VNOLUFFCOHFMTP-OLILMLBXSA-N -1 1 568.695 7.280 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097969707 553943843 /nfs/dbraw/zinc/94/38/43/553943843.db2.gz ANPATNMQLKMQGC-GFJKYASSSA-N -1 1 618.711 7.299 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969742 553944088 /nfs/dbraw/zinc/94/40/88/553944088.db2.gz IMAQYRVABKJIHF-QTEAWJPNSA-N -1 1 609.103 7.635 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969742 553944089 /nfs/dbraw/zinc/94/40/89/553944089.db2.gz IMAQYRVABKJIHF-QTEAWJPNSA-N -1 1 609.103 7.635 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969795 553944952 /nfs/dbraw/zinc/94/49/52/553944952.db2.gz YHCBRCGWUKOMAX-AFJIDDCJSA-N -1 1 645.778 7.645 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969788 553945008 /nfs/dbraw/zinc/94/50/08/553945008.db2.gz FHRFIGQRYJQXFE-RKOGDMNLSA-N -1 1 602.665 5.827 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969788 553945010 /nfs/dbraw/zinc/94/50/10/553945010.db2.gz FHRFIGQRYJQXFE-RKOGDMNLSA-N -1 1 602.665 5.827 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969814 553945637 /nfs/dbraw/zinc/94/56/37/553945637.db2.gz XOHKPPDYFSDTPN-WRGVRERRSA-N -1 1 598.721 7.207 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097969841 553945919 /nfs/dbraw/zinc/94/59/19/553945919.db2.gz KXGYQRZJBARZSK-WRHNGFHOSA-N -1 1 682.651 8.422 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969892 553946299 /nfs/dbraw/zinc/94/62/99/553946299.db2.gz HPUYVWJNOXGTLP-XMMPIXPASA-N -1 1 578.643 5.361 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000097969890 553946497 /nfs/dbraw/zinc/94/64/97/553946497.db2.gz CQFCLHSSESUYOL-ROTAYESASA-N -1 1 689.831 7.899 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969909 553946843 /nfs/dbraw/zinc/94/68/43/553946843.db2.gz FGZQKCDTOTUZRF-UKPGIYTDSA-N -1 1 665.768 7.655 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097969904 553946863 /nfs/dbraw/zinc/94/68/63/553946863.db2.gz PZTKHLNGNIMOAY-WWOZWPLTSA-N -1 1 592.648 7.121 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097969904 553946866 /nfs/dbraw/zinc/94/68/66/553946866.db2.gz PZTKHLNGNIMOAY-WWOZWPLTSA-N -1 1 592.648 7.121 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969941 553947213 /nfs/dbraw/zinc/94/72/13/553947213.db2.gz GJLYXBKYSWQUFO-UZTOHYMASA-N -1 1 599.734 6.726 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000097969947 553947408 /nfs/dbraw/zinc/94/74/08/553947408.db2.gz GYCCKGAWHAJPDB-DXPJPUQTSA-N -1 1 570.623 5.588 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000097969947 553947411 /nfs/dbraw/zinc/94/74/11/553947411.db2.gz GYCCKGAWHAJPDB-DXPJPUQTSA-N -1 1 570.623 5.588 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969977 553947798 /nfs/dbraw/zinc/94/77/98/553947798.db2.gz BBOKVUNJXFWJAH-WWOZWPLTSA-N -1 1 614.720 6.989 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969988 553947853 /nfs/dbraw/zinc/94/78/53/553947853.db2.gz WKRXHEUEUFIBGL-ADSBAMQRSA-N -1 1 614.720 6.845 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969988 553947857 /nfs/dbraw/zinc/94/78/57/553947857.db2.gz WKRXHEUEUFIBGL-ADSBAMQRSA-N -1 1 614.720 6.845 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097970029 553948685 /nfs/dbraw/zinc/94/86/85/553948685.db2.gz UAALTTXIGXITPE-DEOSSOPVSA-N -1 1 560.628 5.472 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097970029 553948689 /nfs/dbraw/zinc/94/86/89/553948689.db2.gz UAALTTXIGXITPE-DEOSSOPVSA-N -1 1 560.628 5.472 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970064 553949136 /nfs/dbraw/zinc/94/91/36/553949136.db2.gz ODYGJAOXOGXNQP-PUAOIOHZSA-N -1 1 590.654 5.308 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970064 553949138 /nfs/dbraw/zinc/94/91/38/553949138.db2.gz ODYGJAOXOGXNQP-PUAOIOHZSA-N -1 1 590.654 5.308 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000097970096 553949615 /nfs/dbraw/zinc/94/96/15/553949615.db2.gz RHAHLGYFQJIMPY-WOPWWUTRSA-N -1 1 705.858 8.223 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C ZINC000097970102 553949679 /nfs/dbraw/zinc/94/96/79/553949679.db2.gz OFVBSQLAYFRLNR-NDEPHWFRSA-N -1 1 648.734 6.316 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970141 553950163 /nfs/dbraw/zinc/95/01/63/553950163.db2.gz IHLFPWCEMTYDJB-XDBZFTIUSA-N -1 1 570.667 6.427 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000097970160 553950477 /nfs/dbraw/zinc/95/04/77/553950477.db2.gz VKGAEKLAXDFNPT-JCOAXYOVSA-N -1 1 689.831 7.899 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000097970200 553950868 /nfs/dbraw/zinc/95/08/68/553950868.db2.gz BEQZGUPZGZIKEH-ULKXQASOSA-N -1 1 709.821 8.054 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970250 553951565 /nfs/dbraw/zinc/95/15/65/553951565.db2.gz MHLZOTAOWYRUMM-WHLCRQNOSA-N -1 1 631.751 7.255 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970271 553951586 /nfs/dbraw/zinc/95/15/86/553951586.db2.gz FXEUSOROWBRCKS-VOIUYBSRSA-N -1 1 562.644 5.523 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970271 553951588 /nfs/dbraw/zinc/95/15/88/553951588.db2.gz FXEUSOROWBRCKS-VOIUYBSRSA-N -1 1 562.644 5.523 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097970286 553952048 /nfs/dbraw/zinc/95/20/48/553952048.db2.gz QKPOOZSRHXJWID-BZQUYTCOSA-N -1 1 668.580 7.030 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970278 553952153 /nfs/dbraw/zinc/95/21/53/553952153.db2.gz YLDPHRORZTYZJW-LMKMVOKYSA-N -1 1 606.125 6.599 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970413 553953686 /nfs/dbraw/zinc/95/36/86/553953686.db2.gz PMBWGHQBHSZRTE-MHZLTWQESA-N -1 1 612.660 5.761 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000097970434 553954075 /nfs/dbraw/zinc/95/40/75/553954075.db2.gz PPYUXVQQZAKLRR-MQNRADLISA-N -1 1 621.509 6.496 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970475 553954626 /nfs/dbraw/zinc/95/46/26/553954626.db2.gz BZLPTEFJJCHWLY-VKGTZQKMSA-N -1 1 648.206 7.769 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970530 553955589 /nfs/dbraw/zinc/95/55/89/553955589.db2.gz WTABNMHZJPOIEZ-LJAQVGFWSA-N -1 1 600.693 6.818 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970530 553955591 /nfs/dbraw/zinc/95/55/91/553955591.db2.gz WTABNMHZJPOIEZ-LJAQVGFWSA-N -1 1 600.693 6.818 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970572 553955958 /nfs/dbraw/zinc/95/59/58/553955958.db2.gz TUCLUXDKWNPQBZ-KWMCUTETSA-N -1 1 589.113 7.481 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970572 553955961 /nfs/dbraw/zinc/95/59/61/553955961.db2.gz TUCLUXDKWNPQBZ-KWMCUTETSA-N -1 1 589.113 7.481 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000097970611 553956227 /nfs/dbraw/zinc/95/62/27/553956227.db2.gz FEMQRVTYPGSWBZ-BGOLNKOXSA-N -1 1 588.685 7.812 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097970604 553956335 /nfs/dbraw/zinc/95/63/35/553956335.db2.gz CJSBRYRZCMCVEJ-OWJWWREXSA-N -1 1 610.544 7.244 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097970603 553956387 /nfs/dbraw/zinc/95/63/87/553956387.db2.gz CJSBRYRZCMCVEJ-MYYSRTQBSA-N -1 1 610.544 7.244 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970644 553956649 /nfs/dbraw/zinc/95/66/49/553956649.db2.gz NHIXYHRVZMFILZ-SONOPUAISA-N -1 1 584.694 6.980 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097970670 553957189 /nfs/dbraw/zinc/95/71/89/553957189.db2.gz VKINNUVWUPTWEM-ULKXQASOSA-N -1 1 632.738 7.607 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097970661 553957200 /nfs/dbraw/zinc/95/72/00/553957200.db2.gz PXYVXUHYEVJBPG-CRICUBBOSA-N -1 1 558.656 6.024 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCC)c3)sc2c1 ZINC000097970676 553957541 /nfs/dbraw/zinc/95/75/41/553957541.db2.gz DFQQALJUILUIJC-SOKVYYICSA-N -1 1 556.640 6.200 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097970692 553957579 /nfs/dbraw/zinc/95/75/79/553957579.db2.gz FEXZMXFDWHMTQM-JMQGSBJISA-N -1 1 604.725 6.584 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097970692 553957582 /nfs/dbraw/zinc/95/75/82/553957582.db2.gz FEXZMXFDWHMTQM-JMQGSBJISA-N -1 1 604.725 6.584 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970729 553957843 /nfs/dbraw/zinc/95/78/43/553957843.db2.gz QVRWSTINTZPUET-QJWGWKRISA-N -1 1 628.747 7.235 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000097970980 553959862 /nfs/dbraw/zinc/95/98/62/553959862.db2.gz SWWMGYQBJVKDFO-AREMUKBSSA-N -1 1 603.096 6.952 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1 ZINC000097972057 553965779 /nfs/dbraw/zinc/96/57/79/553965779.db2.gz HKRRMINZERPOCO-QHCPKHFHSA-N -1 1 528.601 7.052 50 30 biogenic KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(F)cc2)nc1C ZINC000098045751 554133528 /nfs/dbraw/zinc/13/35/28/554133528.db2.gz PYHXBXJDNGJBOX-RCDICMHDSA-N -1 1 534.565 5.040 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(F)cc2)nc1C ZINC000098045753 554133587 /nfs/dbraw/zinc/13/35/87/554133587.db2.gz PYHXBXJDNGJBOX-JLCFBVMHSA-N -1 1 534.565 5.040 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000098046328 554137951 /nfs/dbraw/zinc/13/79/51/554137951.db2.gz SUZQTMMMZVIVMU-JOCHJYFZSA-N -1 1 536.581 5.423 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000098046370 554138294 /nfs/dbraw/zinc/13/82/94/554138294.db2.gz WSUMDVRJUVQGFM-HXUWFJFHSA-N -1 1 557.422 5.217 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccccc2F)cc1 ZINC000098046444 554138861 /nfs/dbraw/zinc/13/88/61/554138861.db2.gz WMGQRFUWGHGMAN-RUZDIDTESA-N -1 1 575.687 6.931 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098046424 554138878 /nfs/dbraw/zinc/13/88/78/554138878.db2.gz SGMACPNDFDPLBZ-HHHXNRCGSA-N -1 1 682.220 7.471 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000098046469 554139455 /nfs/dbraw/zinc/13/94/55/554139455.db2.gz BRPXKFOPPZRBOH-VWLOTQADSA-N -1 1 610.132 7.585 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098046507 554139836 /nfs/dbraw/zinc/13/98/36/554139836.db2.gz DHJJKNKQKKEPCW-NDEPHWFRSA-N -1 1 660.148 8.207 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000098046526 554140170 /nfs/dbraw/zinc/14/01/70/554140170.db2.gz YCVDMMBWNYISBV-NDEPHWFRSA-N -1 1 611.745 7.847 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000098046528 554140247 /nfs/dbraw/zinc/14/02/47/554140247.db2.gz BVWZVJZTHHOMGK-VWLOTQADSA-N -1 1 569.664 6.677 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1ccccc1 ZINC000098046534 554140305 /nfs/dbraw/zinc/14/03/05/554140305.db2.gz CYDPTUQBZATDPX-QHCPKHFHSA-N -1 1 560.056 7.013 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000098046593 554141193 /nfs/dbraw/zinc/14/11/93/554141193.db2.gz GKSYYBJSRXPQGP-NRFANRHFSA-N -1 1 570.117 6.727 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046623 554141587 /nfs/dbraw/zinc/14/15/87/554141587.db2.gz LXJRWIGZIRQUKE-NDEPHWFRSA-N -1 1 570.667 6.728 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098046664 554142010 /nfs/dbraw/zinc/14/20/10/554142010.db2.gz IBTRNCISXPXAAR-QFIPXVFZSA-N -1 1 565.604 5.498 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098047259 554148341 /nfs/dbraw/zinc/14/83/41/554148341.db2.gz HLSDWWUCOUULJD-SSEXGKCCSA-N -1 1 704.201 8.002 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098047255 554148417 /nfs/dbraw/zinc/14/84/17/554148417.db2.gz NTHRRUKXTQDSBT-SSEXGKCCSA-N -1 1 687.746 7.488 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1F ZINC000098047268 554148854 /nfs/dbraw/zinc/14/88/54/554148854.db2.gz PWSNIRYZAGVXPO-YTTGMZPUSA-N -1 1 699.826 8.348 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000098047287 554148889 /nfs/dbraw/zinc/14/88/89/554148889.db2.gz WANHIFREBISVHA-XMMPIXPASA-N -1 1 534.634 6.015 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000098047287 554148890 /nfs/dbraw/zinc/14/88/90/554148890.db2.gz WANHIFREBISVHA-XMMPIXPASA-N -1 1 534.634 6.015 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000098047347 554149542 /nfs/dbraw/zinc/14/95/42/554149542.db2.gz VYSZOHXMZXSPCO-SANMLTNESA-N -1 1 605.713 6.940 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000098047374 554149987 /nfs/dbraw/zinc/14/99/87/554149987.db2.gz CWPQKJZIKPFBJR-WJOKGBTCSA-N -1 1 649.794 8.585 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccs2)cc1F ZINC000098047393 554150548 /nfs/dbraw/zinc/15/05/48/554150548.db2.gz KMWQOFWZFBCZLI-FQEVSTJZSA-N -1 1 523.636 6.122 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047460 554151275 /nfs/dbraw/zinc/15/12/75/554151275.db2.gz MGUPLUGMFXZFDC-AREMUKBSSA-N -1 1 633.723 6.718 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000098047453 554151346 /nfs/dbraw/zinc/15/13/46/554151346.db2.gz RVMPYFFFSIADBS-PMERELPUSA-N -1 1 678.276 9.015 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047506 554151752 /nfs/dbraw/zinc/15/17/52/554151752.db2.gz LALRWFWYSDVUDO-SANMLTNESA-N -1 1 633.723 6.718 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047496 554151760 /nfs/dbraw/zinc/15/17/60/554151760.db2.gz RJVHVTHLZURKSH-YTTGMZPUSA-N -1 1 681.811 8.510 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047527 554152281 /nfs/dbraw/zinc/15/22/81/554152281.db2.gz OFCCOXSNGPHSMG-MHZLTWQESA-N -1 1 622.740 6.633 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000098047514 554152316 /nfs/dbraw/zinc/15/23/16/554152316.db2.gz NKTLTJXPCKAQNQ-LJAQVGFWSA-N -1 1 650.794 7.558 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047558 554152580 /nfs/dbraw/zinc/15/25/80/554152580.db2.gz OXHCHAIZNQBQIK-HKBQPEDESA-N -1 1 691.847 8.365 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047553 554152659 /nfs/dbraw/zinc/15/26/59/554152659.db2.gz XVADDYIEWIKOHF-WJOKGBTCSA-N -1 1 691.847 8.365 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047545 554152742 /nfs/dbraw/zinc/15/27/42/554152742.db2.gz GKFYYDNANHCUHI-HHHXNRCGSA-N -1 1 622.740 6.778 50 30 KKEAMM CCCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000098047596 554152956 /nfs/dbraw/zinc/15/29/56/554152956.db2.gz ABUIDBDXTIJAEZ-UMSFTDKQSA-N -1 1 715.938 9.458 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000098047584 554153121 /nfs/dbraw/zinc/15/31/21/554153121.db2.gz QACPYMUDLLVQHL-YTTGMZPUSA-N -1 1 722.329 9.413 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000098047620 554153423 /nfs/dbraw/zinc/15/34/23/554153423.db2.gz GEPLOKGORSXFEI-NDEPHWFRSA-N -1 1 615.777 7.499 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000098047619 554153509 /nfs/dbraw/zinc/15/35/09/554153509.db2.gz GEPLOKGORSXFEI-MUUNZHRXSA-N -1 1 615.777 7.499 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccccc2F)cc1 ZINC000098047643 554153972 /nfs/dbraw/zinc/15/39/72/554153972.db2.gz XKDCLKAXDITKTK-RUZDIDTESA-N -1 1 610.132 7.585 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000098047663 554154418 /nfs/dbraw/zinc/15/44/18/554154418.db2.gz PRLVOKJWSIDADR-HHHXNRCGSA-N -1 1 636.195 7.844 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000098047660 554154505 /nfs/dbraw/zinc/15/45/05/554154505.db2.gz STRUDZQVDCIZJQ-LJAQVGFWSA-N -1 1 648.778 7.334 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000098047761 554155703 /nfs/dbraw/zinc/15/57/03/554155703.db2.gz DCBDTGFNIZMVMP-MGBGTMOVSA-N -1 1 673.791 8.793 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000098047817 554156399 /nfs/dbraw/zinc/15/63/99/554156399.db2.gz CRRFIUIIKNISEE-SSEXGKCCSA-N -1 1 651.810 8.081 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000098047817 554156404 /nfs/dbraw/zinc/15/64/04/554156404.db2.gz CRRFIUIIKNISEE-SSEXGKCCSA-N -1 1 651.810 8.081 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047811 554156439 /nfs/dbraw/zinc/15/64/39/554156439.db2.gz BEHDQVVIWQFKQH-JGCGQSQUSA-N -1 1 681.836 8.353 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047815 554156448 /nfs/dbraw/zinc/15/64/48/554156448.db2.gz LLHSQHMOKDLPIC-SSEXGKCCSA-N -1 1 653.782 7.573 50 30 KKEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000098047842 554156636 /nfs/dbraw/zinc/15/66/36/554156636.db2.gz MWEMJARKKKZJGV-LJAQVGFWSA-N -1 1 623.775 8.512 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000098047842 554156638 /nfs/dbraw/zinc/15/66/38/554156638.db2.gz MWEMJARKKKZJGV-LJAQVGFWSA-N -1 1 623.775 8.512 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000098047891 554157363 /nfs/dbraw/zinc/15/73/63/554157363.db2.gz BADJKFCGQCSIHM-RUZDIDTESA-N -1 1 599.621 5.817 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098047894 554157419 /nfs/dbraw/zinc/15/74/19/554157419.db2.gz FEZYARZZXQBEKB-VWLOTQADSA-N -1 1 599.621 5.817 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccs2)nc1C ZINC000098048010 554158392 /nfs/dbraw/zinc/15/83/92/554158392.db2.gz DZSWCNPWKYVLBV-XMMPIXPASA-N -1 1 544.654 6.386 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nnc(C(C)C)s2)ccc1OCCC(C)C ZINC000098047984 554158409 /nfs/dbraw/zinc/15/84/09/554158409.db2.gz KRTVAHOSUCURNE-QHCPKHFHSA-N -1 1 539.629 6.017 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048040 554158915 /nfs/dbraw/zinc/15/89/15/554158915.db2.gz MTZASBOPPMJIGY-QMTYFTJSSA-N -1 1 544.604 6.331 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048040 554158916 /nfs/dbraw/zinc/15/89/16/554158916.db2.gz MTZASBOPPMJIGY-QMTYFTJSSA-N -1 1 544.604 6.331 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000098048049 554159230 /nfs/dbraw/zinc/15/92/30/554159230.db2.gz XHOUYEFJMAJKSB-WRHNGFHOSA-N -1 1 572.658 6.967 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000098048049 554159233 /nfs/dbraw/zinc/15/92/33/554159233.db2.gz XHOUYEFJMAJKSB-WRHNGFHOSA-N -1 1 572.658 6.967 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048058 554159283 /nfs/dbraw/zinc/15/92/83/554159283.db2.gz RRNKGJXSCWJHCO-WZQKQDCOSA-N -1 1 560.603 5.949 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048058 554159285 /nfs/dbraw/zinc/15/92/85/554159285.db2.gz RRNKGJXSCWJHCO-WZQKQDCOSA-N -1 1 560.603 5.949 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053291066 554331595 /nfs/dbraw/zinc/33/15/95/554331595.db2.gz ODVYKTCMUIHVJQ-QFIPXVFZSA-N -1 1 519.420 6.459 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000053290929 554331618 /nfs/dbraw/zinc/33/16/18/554331618.db2.gz ACDYQKKXHCXQBS-NRFANRHFSA-N -1 1 522.604 5.557 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000053291957 554331905 /nfs/dbraw/zinc/33/19/05/554331905.db2.gz UFVXJSUSGBPEOB-JOCHJYFZSA-N -1 1 522.604 5.557 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053292007 554332239 /nfs/dbraw/zinc/33/22/39/554332239.db2.gz JWWFPGWIWROWTQ-SANMLTNESA-N -1 1 542.657 6.784 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053292051 554332424 /nfs/dbraw/zinc/33/24/24/554332424.db2.gz DTQMJHDGTFBGET-QFIPXVFZSA-N -1 1 569.864 6.894 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053305727 554332766 /nfs/dbraw/zinc/33/27/66/554332766.db2.gz GXIBNXCFWYUMKK-QFIPXVFZSA-N -1 1 536.631 5.783 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000053305942 554333054 /nfs/dbraw/zinc/33/30/54/554333054.db2.gz UWIPQGCYRGWLSD-HSZRJFAPSA-N -1 1 534.565 5.634 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000053306769 554334384 /nfs/dbraw/zinc/33/43/84/554334384.db2.gz HNPKNKYDBWRWEB-SANMLTNESA-N -1 1 544.629 6.112 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000053307119 554334668 /nfs/dbraw/zinc/33/46/68/554334668.db2.gz MJHMUYPLHVPMRY-XMMPIXPASA-N -1 1 529.574 6.003 50 30 KKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Br)cc1 ZINC000053307066 554334704 /nfs/dbraw/zinc/33/47/04/554334704.db2.gz WDYONMREQQWWIS-GOSISDBHSA-N -1 1 515.385 6.042 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000053307954 554335427 /nfs/dbraw/zinc/33/54/27/554335427.db2.gz VKUYIOYCAAFVHJ-QHCPKHFHSA-N -1 1 551.020 6.149 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C ZINC000053319098 554336019 /nfs/dbraw/zinc/33/60/19/554336019.db2.gz KRQPUWMXTKLLDP-IBGZPJMESA-N -1 1 557.422 5.101 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C ZINC000053319172 554336108 /nfs/dbraw/zinc/33/61/08/554336108.db2.gz LBUJHUFWOPVDSR-NRFANRHFSA-N -1 1 583.460 5.657 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053319138 554336307 /nfs/dbraw/zinc/33/63/07/554336307.db2.gz MABUGCGPXXNHPR-FQEVSTJZSA-N -1 1 571.449 5.491 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000053319265 554336988 /nfs/dbraw/zinc/33/69/88/554336988.db2.gz FDZRNWYAFWRNEW-FQEVSTJZSA-N -1 1 527.346 6.120 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000053319444 554337964 /nfs/dbraw/zinc/33/79/64/554337964.db2.gz WBSLOXSKPVVQQG-NRFANRHFSA-N -1 1 541.025 5.770 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053332776 554338945 /nfs/dbraw/zinc/33/89/45/554338945.db2.gz KPMWPDPOWMIAOO-JOCHJYFZSA-N -1 1 553.865 7.058 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000053332114 554338963 /nfs/dbraw/zinc/33/89/63/554338963.db2.gz DUMLNVTXEMCNIV-HXUWFJFHSA-N -1 1 526.567 5.306 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053332216 554338987 /nfs/dbraw/zinc/33/89/87/554338987.db2.gz ZAXUHVPMBSINAN-WGDIFIGCSA-N -1 1 554.624 5.806 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000053332632 554339096 /nfs/dbraw/zinc/33/90/96/554339096.db2.gz CKBLOMPTIFNWSX-JOCHJYFZSA-N -1 1 583.847 6.266 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000053333872 554339871 /nfs/dbraw/zinc/33/98/71/554339871.db2.gz UUQHZQJXSWIVSX-VWLOTQADSA-N -1 1 530.602 5.809 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053335138 554340624 /nfs/dbraw/zinc/34/06/24/554340624.db2.gz UXNXECJAXBITRD-HSZRJFAPSA-N -1 1 562.987 5.290 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000053336173 554341551 /nfs/dbraw/zinc/34/15/51/554341551.db2.gz LNQZNUDMBPKCKD-DEOSSOPVSA-N -1 1 567.450 6.774 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000053336927 554341835 /nfs/dbraw/zinc/34/18/35/554341835.db2.gz HFRJFKWGJXPHIU-NRFANRHFSA-N -1 1 583.460 5.657 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053336616 554341920 /nfs/dbraw/zinc/34/19/20/554341920.db2.gz JEASGVFSLTVXFZ-SHACYNPGSA-N -1 1 577.456 6.174 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000053337825 554342373 /nfs/dbraw/zinc/34/23/73/554342373.db2.gz RKSIPBQZWQNQKA-MQNRADLISA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000053337825 554342376 /nfs/dbraw/zinc/34/23/76/554342376.db2.gz RKSIPBQZWQNQKA-MQNRADLISA-N -1 1 530.577 5.940 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000053337951 554342544 /nfs/dbraw/zinc/34/25/44/554342544.db2.gz UYOVYQNSPYFGNZ-CPJLOUKISA-N -1 1 531.033 6.673 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000053338361 554342756 /nfs/dbraw/zinc/34/27/56/554342756.db2.gz PQBQJRXTCXAMDG-HXUWFJFHSA-N -1 1 558.182 5.903 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000053338375 554342774 /nfs/dbraw/zinc/34/27/74/554342774.db2.gz JKHULBWXFFZRSE-OAQYLSRUSA-N -1 1 552.992 5.002 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053340435 554344152 /nfs/dbraw/zinc/34/41/52/554344152.db2.gz KWUCMKWMFUQMTQ-NRFANRHFSA-N -1 1 538.603 5.175 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)c(OC)c1 ZINC000053354708 554344743 /nfs/dbraw/zinc/34/47/43/554344743.db2.gz NAJLLHGWNKKCAO-QHCPKHFHSA-N -1 1 542.813 6.211 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)c(OC)c1 ZINC000053354708 554344741 /nfs/dbraw/zinc/34/47/41/554344741.db2.gz NAJLLHGWNKKCAO-QHCPKHFHSA-N -1 1 542.813 6.211 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000100580070 554424757 /nfs/dbraw/zinc/42/47/57/554424757.db2.gz HZLINTMBPGABGV-OAQYLSRUSA-N -1 1 532.312 6.259 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000100674852 554443289 /nfs/dbraw/zinc/44/32/89/554443289.db2.gz GSWPFYGUFUCTIN-XMMPIXPASA-N -1 1 566.651 6.365 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100677248 554444201 /nfs/dbraw/zinc/44/42/01/554444201.db2.gz VZBJISYNXUODGK-DEOSSOPVSA-N -1 1 582.650 6.046 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100677292 554444658 /nfs/dbraw/zinc/44/46/58/554444658.db2.gz YCFSLPJJEAMVOS-MHZLTWQESA-N -1 1 606.741 7.159 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100677745 554444708 /nfs/dbraw/zinc/44/47/08/554444708.db2.gz NOTZBEHHZQLBHN-QFIPXVFZSA-N -1 1 536.625 6.156 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100677745 554444710 /nfs/dbraw/zinc/44/47/10/554444710.db2.gz NOTZBEHHZQLBHN-QFIPXVFZSA-N -1 1 536.625 6.156 50 30 KKEAMM CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100677758 554444911 /nfs/dbraw/zinc/44/49/11/554444911.db2.gz WDECYXKUTDQVRG-AREMUKBSSA-N -1 1 610.704 6.826 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000100680014 554445965 /nfs/dbraw/zinc/44/59/65/554445965.db2.gz OAKALDDLHSHELM-XMMPIXPASA-N -1 1 546.645 6.065 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000100680014 554445967 /nfs/dbraw/zinc/44/59/67/554445967.db2.gz OAKALDDLHSHELM-XMMPIXPASA-N -1 1 546.645 6.065 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000100679925 554445996 /nfs/dbraw/zinc/44/59/96/554445996.db2.gz IORQQTLUINFXBR-SANMLTNESA-N -1 1 592.714 6.769 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100679934 554446014 /nfs/dbraw/zinc/44/60/14/554446014.db2.gz RNWKDQAOGXNEBQ-NDEPHWFRSA-N -1 1 636.767 7.168 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccccc2F)nc1C ZINC000100680319 554446556 /nfs/dbraw/zinc/44/65/56/554446556.db2.gz VKUNHJRFUUZICL-HSZRJFAPSA-N -1 1 550.608 5.895 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCC)cc2)nc1C ZINC000100680391 554446766 /nfs/dbraw/zinc/44/67/66/554446766.db2.gz HJOCTBZTLYXUMC-MHZLTWQESA-N -1 1 604.725 6.935 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000100681078 554447224 /nfs/dbraw/zinc/44/72/24/554447224.db2.gz QRWWLVXVVJSXHA-OAQYLSRUSA-N -1 1 541.025 5.853 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100681572 554447833 /nfs/dbraw/zinc/44/78/33/554447833.db2.gz ZVCQVQGGOXAVNU-HSZRJFAPSA-N -1 1 566.607 5.432 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100681566 554447849 /nfs/dbraw/zinc/44/78/49/554447849.db2.gz ZVCQVQGGOXAVNU-QHCPKHFHSA-N -1 1 566.607 5.432 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000100681482 554447880 /nfs/dbraw/zinc/44/78/80/554447880.db2.gz NPLSQTCNIKPYGC-QFIPXVFZSA-N -1 1 552.580 5.042 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000100681468 554447920 /nfs/dbraw/zinc/44/79/20/554447920.db2.gz KEFDCBSJFMVLBF-FQEVSTJZSA-N -1 1 571.424 5.787 50 30 KKEAMM CCCCCCCCCCCCCCCCCC[C@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1O ZINC000100853966 554493095 /nfs/dbraw/zinc/49/30/95/554493095.db2.gz ULITWBUPJGNVRI-HSZRJFAPSA-N -1 1 506.684 7.981 50 30 KKEAMM CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@H](O)CO)OC(=O)CCCCCCCCCCC ZINC000064633974 554513405 /nfs/dbraw/zinc/51/34/05/554513405.db2.gz LHCZDUCPSRJDJT-VSGBNLITSA-N -1 1 610.766 6.770 50 30 in-vitro KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000101062612 554570633 /nfs/dbraw/zinc/57/06/33/554570633.db2.gz GLKMSWGKXIYXCP-UYTDBDHRSA-N -1 1 510.196 5.839 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(Br)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069780 554574081 /nfs/dbraw/zinc/57/40/81/554574081.db2.gz APGDBIZAZADHIX-MRJHHRETSA-N -1 1 584.289 6.756 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069786 554574103 /nfs/dbraw/zinc/57/41/03/554574103.db2.gz IOFPYUIMNHASGV-MRJHHRETSA-N -1 1 523.383 6.133 50 30 KKEAMM O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101069914 554574610 /nfs/dbraw/zinc/57/46/10/554574610.db2.gz JRBRXFPHOKSFLY-YDJIHCHBSA-N -1 1 513.185 5.838 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069914 554574611 /nfs/dbraw/zinc/57/46/11/554574611.db2.gz JRBRXFPHOKSFLY-YDJIHCHBSA-N -1 1 513.185 5.838 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069929 554574628 /nfs/dbraw/zinc/57/46/28/554574628.db2.gz NVTOBINSSBYJKF-LFVOPCPISA-N -1 1 514.173 5.233 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000101100216 554587136 /nfs/dbraw/zinc/58/71/36/554587136.db2.gz RVBHOWOBCZWXDF-MRJHHRETSA-N -1 1 523.383 6.133 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101651 554638788 /nfs/dbraw/zinc/63/87/88/554638788.db2.gz WLJIJLIESWJZLD-UVDRRRQGSA-N -1 1 577.456 6.073 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101651 554638790 /nfs/dbraw/zinc/63/87/90/554638790.db2.gz WLJIJLIESWJZLD-UVDRRRQGSA-N -1 1 577.456 6.073 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Br)c1)c1ccccc1 ZINC000101101547 554638805 /nfs/dbraw/zinc/63/88/05/554638805.db2.gz CGLBSFAUMHAGGJ-NHFXJNLRSA-N -1 1 509.356 5.824 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000101101519 554638874 /nfs/dbraw/zinc/63/88/74/554638874.db2.gz QLTDDCIANGJKIY-MRJHHRETSA-N -1 1 505.393 5.994 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000101276750 554702859 /nfs/dbraw/zinc/70/28/59/554702859.db2.gz BADIEQIZDFLCOX-UUALVTFQSA-N -1 1 596.661 6.530 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276839 554703463 /nfs/dbraw/zinc/70/34/63/554703463.db2.gz LVURCVKOGLSEJK-CZNAVJSXSA-N -1 1 604.681 5.617 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000101277258 554703582 /nfs/dbraw/zinc/70/35/82/554703582.db2.gz QNTISAPCPDVSGC-MRJHHRETSA-N -1 1 573.454 6.044 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000101277895 554704126 /nfs/dbraw/zinc/70/41/26/554704126.db2.gz LNXHSGZEHYJOAG-MRJHHRETSA-N -1 1 539.009 5.391 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000101277934 554704140 /nfs/dbraw/zinc/70/41/40/554704140.db2.gz LKRNPROCICLMLG-UUALVTFQSA-N -1 1 598.652 6.447 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000101278010 554704563 /nfs/dbraw/zinc/70/45/63/554704563.db2.gz KRZZUAHBOWTEEX-UUALVTFQSA-N -1 1 625.659 6.216 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294070 554710575 /nfs/dbraw/zinc/71/05/75/554710575.db2.gz HPYGWPOQIVBTHZ-CZNAVJSXSA-N -1 1 526.614 6.058 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101299760 554713297 /nfs/dbraw/zinc/71/32/97/554713297.db2.gz IWAUXYIKNSLHME-CZNAVJSXSA-N -1 1 542.613 5.813 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000101310229 554717261 /nfs/dbraw/zinc/71/72/61/554717261.db2.gz LCHFLHGLYGFMFJ-JRWYTTBRSA-N -1 1 596.705 6.826 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310408 554717794 /nfs/dbraw/zinc/71/77/94/554717794.db2.gz CUPJYDLIYNXPMD-NPJIAGGLSA-N -1 1 576.627 5.015 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000101310423 554717864 /nfs/dbraw/zinc/71/78/64/554717864.db2.gz JGKATELTAKIPPK-TXTDGAROSA-N -1 1 584.650 5.966 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310433 554718092 /nfs/dbraw/zinc/71/80/92/554718092.db2.gz WCRQFNUAPCZIIH-MIOXIQPJSA-N -1 1 614.676 6.056 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310433 554718094 /nfs/dbraw/zinc/71/80/94/554718094.db2.gz WCRQFNUAPCZIIH-MIOXIQPJSA-N -1 1 614.676 6.056 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313707 554722225 /nfs/dbraw/zinc/72/22/25/554722225.db2.gz DSCIFORAMALDTG-RPUIFAKWSA-N -1 1 560.628 5.143 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313707 554722226 /nfs/dbraw/zinc/72/22/26/554722226.db2.gz DSCIFORAMALDTG-RPUIFAKWSA-N -1 1 560.628 5.143 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000101316807 554723842 /nfs/dbraw/zinc/72/38/42/554723842.db2.gz MAIZFVSGDGCONO-YFVVEFNMSA-N -1 1 611.745 6.653 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000101338285 554734805 /nfs/dbraw/zinc/73/48/05/554734805.db2.gz GAYRNVZLIZHZPE-RUZDIDTESA-N -1 1 610.132 7.503 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000102076524 554874618 /nfs/dbraw/zinc/87/46/18/554874618.db2.gz OBFLSFPLBSAUBE-IYGWJSLMSA-N -1 1 504.608 5.518 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076596 554874801 /nfs/dbraw/zinc/87/48/01/554874801.db2.gz RAEKSADRALQULQ-WKUSSTJHSA-N -1 1 589.113 7.324 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076596 554874802 /nfs/dbraw/zinc/87/48/02/554874802.db2.gz RAEKSADRALQULQ-WKUSSTJHSA-N -1 1 589.113 7.324 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000102076530 554874842 /nfs/dbraw/zinc/87/48/42/554874842.db2.gz OBFLSFPLBSAUBE-GOBYDPEUSA-N -1 1 504.608 5.518 50 30 KKEAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccc(F)cc1 ZINC000102413089 554923946 /nfs/dbraw/zinc/92/39/46/554923946.db2.gz MCTLDBHTGRHQBK-HSZRJFAPSA-N -1 1 598.519 7.376 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102482405 554937429 /nfs/dbraw/zinc/93/74/29/554937429.db2.gz GHNJWVNOUPYKCC-YDJIHCHBSA-N -1 1 526.567 5.149 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102485515 554938204 /nfs/dbraw/zinc/93/82/04/554938204.db2.gz SNHPLTDNFDAGEC-HFEWCJDKSA-N -1 1 504.564 5.458 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102485425 554938307 /nfs/dbraw/zinc/93/83/07/554938307.db2.gz IDIXHTOWZOPXEH-AYWGPLOBSA-N -1 1 536.993 5.602 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000102486498 554938571 /nfs/dbraw/zinc/93/85/71/554938571.db2.gz ITWUPDWDSDUAQK-IUKMQXEJSA-N -1 1 527.602 5.369 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102491556 554939287 /nfs/dbraw/zinc/93/92/87/554939287.db2.gz FPBOBMAAYHODOF-ZHHPLPSFSA-N -1 1 504.633 6.506 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102493932 554940076 /nfs/dbraw/zinc/94/00/76/554940076.db2.gz YFMMPSDCJLXJSE-ZHHPLPSFSA-N -1 1 516.575 5.339 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102496170 554940536 /nfs/dbraw/zinc/94/05/36/554940536.db2.gz ANOHNDVBKVHJGX-ZHHPLPSFSA-N -1 1 534.565 5.396 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102496170 554940539 /nfs/dbraw/zinc/94/05/39/554940539.db2.gz ANOHNDVBKVHJGX-ZHHPLPSFSA-N -1 1 534.565 5.396 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102496214 554940597 /nfs/dbraw/zinc/94/05/97/554940597.db2.gz SBBVCXPLSXAVRR-HFEWCJDKSA-N -1 1 536.631 5.627 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102503470 554943996 /nfs/dbraw/zinc/94/39/96/554943996.db2.gz XUJCSSREDOPDNV-SBXHHDGASA-N -1 1 500.576 5.638 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102506145 554944515 /nfs/dbraw/zinc/94/45/15/554944515.db2.gz VSPNJRUFQBXQLS-NXLSWJSLSA-N -1 1 516.575 5.339 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102508617 554945695 /nfs/dbraw/zinc/94/56/95/554945695.db2.gz IIWBMUDXATWXES-JBCNATCCSA-N -1 1 508.502 5.218 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102510047 554946000 /nfs/dbraw/zinc/94/60/00/554946000.db2.gz HLHRHTWMUFNPNX-AYWGPLOBSA-N -1 1 504.539 5.469 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102509685 554946075 /nfs/dbraw/zinc/94/60/75/554946075.db2.gz QFSJHZDVBZNSFV-AYWGPLOBSA-N -1 1 504.539 5.469 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102511575 554946471 /nfs/dbraw/zinc/94/64/71/554946471.db2.gz UQWUGRQCZKVAHF-ZHHPLPSFSA-N -1 1 514.559 5.026 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102514145 554947253 /nfs/dbraw/zinc/94/72/53/554947253.db2.gz XITMPCCVTWKNOU-NPJIAGGLSA-N -1 1 560.628 5.656 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102515080 554947563 /nfs/dbraw/zinc/94/75/63/554947563.db2.gz QTQLUJUSCMGJTR-SBXHHDGASA-N -1 1 519.022 6.708 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102514872 554947635 /nfs/dbraw/zinc/94/76/35/554947635.db2.gz BAXWSKAJUAIAGB-MRJHHRETSA-N -1 1 521.938 5.493 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102520932 554949690 /nfs/dbraw/zinc/94/96/90/554949690.db2.gz GTFPQGOJJCYBDT-JBCNATCCSA-N -1 1 521.938 5.493 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102526196 554951940 /nfs/dbraw/zinc/95/19/40/554951940.db2.gz SPPCKRLCKHVVIX-MOBKVPTQSA-N -1 1 535.419 6.002 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102526196 554951942 /nfs/dbraw/zinc/95/19/42/554951942.db2.gz SPPCKRLCKHVVIX-MOBKVPTQSA-N -1 1 535.419 6.002 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102525744 554951946 /nfs/dbraw/zinc/95/19/46/554951946.db2.gz UDXHKGCNAFOZTK-BUANBSPESA-N -1 1 504.995 6.201 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102527914 554952869 /nfs/dbraw/zinc/95/28/69/554952869.db2.gz ZLRCSMNYQPKYJS-NXLSWJSLSA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102527914 554952873 /nfs/dbraw/zinc/95/28/73/554952873.db2.gz ZLRCSMNYQPKYJS-NXLSWJSLSA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102530393 554953579 /nfs/dbraw/zinc/95/35/79/554953579.db2.gz ZOFDVIFIUIWMMJ-UVDRRRQGSA-N -1 1 519.022 6.592 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102532907 554954818 /nfs/dbraw/zinc/95/48/18/554954818.db2.gz WAUFAOJREBAWGA-MOBKVPTQSA-N -1 1 506.967 5.593 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000102539000 554956850 /nfs/dbraw/zinc/95/68/50/554956850.db2.gz CLNWWNCDIFPOHU-NPJIAGGLSA-N -1 1 514.603 6.028 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102539084 554956870 /nfs/dbraw/zinc/95/68/70/554956870.db2.gz UDETZAVCIXRWOY-SBXHHDGASA-N -1 1 500.576 5.638 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102541768 554957535 /nfs/dbraw/zinc/95/75/35/554957535.db2.gz PZGAFXPWDXNIGL-SBXHHDGASA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102541768 554957537 /nfs/dbraw/zinc/95/75/37/554957537.db2.gz PZGAFXPWDXNIGL-SBXHHDGASA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000102541565 554957625 /nfs/dbraw/zinc/95/76/25/554957625.db2.gz QMIGEHRMHWLIFL-AYWGPLOBSA-N -1 1 504.539 5.469 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102544480 554958465 /nfs/dbraw/zinc/95/84/65/554958465.db2.gz GEKZIOYNCCYTPI-QMMFTLRZSA-N -1 1 606.656 6.885 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccnc2)o1 ZINC000102545161 554958715 /nfs/dbraw/zinc/95/87/15/554958715.db2.gz KWZLMAJOFFYXMX-NHFXJNLRSA-N -1 1 504.593 5.062 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102545245 554958787 /nfs/dbraw/zinc/95/87/87/554958787.db2.gz DWXADWUZUJCYGA-YMOXJMBTSA-N -1 1 540.641 6.262 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102547266 554959664 /nfs/dbraw/zinc/95/96/64/554959664.db2.gz ZVUXVOHNCRCTPF-NSOCNUKWSA-N -1 1 596.661 5.767 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102547266 554959668 /nfs/dbraw/zinc/95/96/68/554959668.db2.gz ZVUXVOHNCRCTPF-NSOCNUKWSA-N -1 1 596.661 5.767 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102547734 554959971 /nfs/dbraw/zinc/95/99/71/554959971.db2.gz PPHSSSXZZLUXAL-NXLSWJSLSA-N -1 1 502.567 6.023 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102547734 554959972 /nfs/dbraw/zinc/95/99/72/554959972.db2.gz PPHSSSXZZLUXAL-NXLSWJSLSA-N -1 1 502.567 6.023 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102547944 554960193 /nfs/dbraw/zinc/96/01/93/554960193.db2.gz OHLUARWFYYYBDU-JRPVAJNPSA-N -1 1 556.596 5.041 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102547944 554960196 /nfs/dbraw/zinc/96/01/96/554960196.db2.gz OHLUARWFYYYBDU-JRPVAJNPSA-N -1 1 556.596 5.041 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102549015 554960753 /nfs/dbraw/zinc/96/07/53/554960753.db2.gz IHLGVABHKNTKTQ-AIKCTZLLSA-N -1 1 577.634 6.058 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102550012 554961253 /nfs/dbraw/zinc/96/12/53/554961253.db2.gz RHGCYTDVJKCSHW-NPJIAGGLSA-N -1 1 576.627 5.274 50 30 KKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccc(O)cc1 ZINC000102555912 554964382 /nfs/dbraw/zinc/96/43/82/554964382.db2.gz MNZFGGHGPKVYSQ-WOOAAIBNSA-N -1 1 507.618 5.224 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102556248 554964772 /nfs/dbraw/zinc/96/47/72/554964772.db2.gz KCGQOJOZVAIBLA-WRPQUVRJSA-N -1 1 610.544 7.087 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102557055 554964987 /nfs/dbraw/zinc/96/49/87/554964987.db2.gz JBXMZPWYVMVXPR-GRBPGWBESA-N -1 1 602.684 6.963 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102557055 554964990 /nfs/dbraw/zinc/96/49/90/554964990.db2.gz JBXMZPWYVMVXPR-GRBPGWBESA-N -1 1 602.684 6.963 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102558373 554965821 /nfs/dbraw/zinc/96/58/21/554965821.db2.gz AFCBXSBZWIIEOU-KYWXLPDZSA-N -1 1 520.969 6.039 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102558870 554966296 /nfs/dbraw/zinc/96/62/96/554966296.db2.gz DOBNJMBPYNCHIW-UJWLLDLUSA-N -1 1 561.059 6.688 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102558870 554966298 /nfs/dbraw/zinc/96/62/98/554966298.db2.gz DOBNJMBPYNCHIW-UJWLLDLUSA-N -1 1 561.059 6.688 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102559738 554967272 /nfs/dbraw/zinc/96/72/72/554967272.db2.gz NGMVHKOWQNYCSI-CZNAVJSXSA-N -1 1 613.648 6.050 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(O)cc3)s2)cc1 ZINC000102560138 554967623 /nfs/dbraw/zinc/96/76/23/554967623.db2.gz SQKTUCBMBBYLFU-NHFXJNLRSA-N -1 1 505.577 5.064 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102561654 554968331 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CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102563576 554969159 /nfs/dbraw/zinc/96/91/59/554969159.db2.gz FRCSDTSAPPYJJD-QMDVFYPZSA-N -1 1 584.694 6.824 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102563433 554969174 /nfs/dbraw/zinc/96/91/74/554969174.db2.gz ASSWTIKYSWKHEJ-XTUFCYCQSA-N -1 1 583.666 5.774 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102563433 554969175 /nfs/dbraw/zinc/96/91/75/554969175.db2.gz ASSWTIKYSWKHEJ-XTUFCYCQSA-N -1 1 583.666 5.774 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102568917 554970112 /nfs/dbraw/zinc/97/01/12/554970112.db2.gz GYPXYUOVEMRLPW-FSISNWKMSA-N -1 1 516.550 5.394 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102568917 554970114 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C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102605985 554978741 /nfs/dbraw/zinc/97/87/41/554978741.db2.gz SXINAUJAQVTOLW-XCSSDTEYSA-N -1 1 524.598 5.672 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102606185 554978992 /nfs/dbraw/zinc/97/89/92/554978992.db2.gz KWYMGPGDZMEXFC-DXPJPUQTSA-N -1 1 544.604 6.331 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102606185 554978993 /nfs/dbraw/zinc/97/89/93/554978993.db2.gz KWYMGPGDZMEXFC-DXPJPUQTSA-N -1 1 544.604 6.331 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102608451 554980487 /nfs/dbraw/zinc/98/04/87/554980487.db2.gz KZGDUITVDOHHDH-SBXHHDGASA-N -1 1 591.642 5.376 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102609256 554980805 /nfs/dbraw/zinc/98/08/05/554980805.db2.gz 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Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000102653155 554997168 /nfs/dbraw/zinc/99/71/68/554997168.db2.gz VRAWDZRFMYEJGL-VSFGEHDGSA-N -1 1 602.712 7.442 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102653698 554997353 /nfs/dbraw/zinc/99/73/53/554997353.db2.gz HIKLZJMTTJPYPL-FZIUWASMSA-N -1 1 558.612 5.359 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102654654 554997696 /nfs/dbraw/zinc/99/76/96/554997696.db2.gz MESFOXYNDGTVDM-FZIYRNTBSA-N -1 1 540.641 6.343 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102654387 554997813 /nfs/dbraw/zinc/99/78/13/554997813.db2.gz WBYWHIBBVMKTGF-RSERVXPISA-N -1 1 571.869 7.206 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102655035 554998034 /nfs/dbraw/zinc/99/80/34/554998034.db2.gz PCDGDWLUGBWKLS-QBTYMPIYSA-N -1 1 575.086 7.078 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102655035 554998035 /nfs/dbraw/zinc/99/80/35/554998035.db2.gz PCDGDWLUGBWKLS-QBTYMPIYSA-N -1 1 575.086 7.078 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102655700 554998290 /nfs/dbraw/zinc/99/82/90/554998290.db2.gz BNMMBKYWTOHHDV-RXVNBYBTSA-N -1 1 586.666 5.889 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102655704 554998427 /nfs/dbraw/zinc/99/84/27/554998427.db2.gz ZVQJCOXIKWSBPM-UUALVTFQSA-N -1 1 614.676 5.769 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102655704 554998429 /nfs/dbraw/zinc/99/84/29/554998429.db2.gz ZVQJCOXIKWSBPM-UUALVTFQSA-N -1 1 614.676 5.769 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102655757 554998681 /nfs/dbraw/zinc/99/86/81/554998681.db2.gz FRCSDTSAPPYJJD-HYVCFMKYSA-N -1 1 584.694 6.824 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000102658867 554999822 /nfs/dbraw/zinc/99/98/22/554999822.db2.gz JVMTWIZMZVBYIA-WKHTWXOLSA-N -1 1 504.589 5.316 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102690305 555008045 /nfs/dbraw/zinc/00/80/45/555008045.db2.gz AYWAYEIYJLTOOK-NXLSWJSLSA-N -1 1 518.566 5.641 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102690305 555008046 /nfs/dbraw/zinc/00/80/46/555008046.db2.gz AYWAYEIYJLTOOK-NXLSWJSLSA-N -1 1 518.566 5.641 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102691456 555008596 /nfs/dbraw/zinc/00/85/96/555008596.db2.gz JZCWFGBQCFVYJA-AYWGPLOBSA-N -1 1 515.547 5.456 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102694157 555009470 /nfs/dbraw/zinc/00/94/70/555009470.db2.gz PSFRAJHLGKHSDS-AYWGPLOBSA-N -1 1 504.633 6.335 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000102695307 555010794 /nfs/dbraw/zinc/01/07/94/555010794.db2.gz ACZHMTFISZNXNG-NXLSWJSLSA-N -1 1 542.573 5.268 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102697432 555011852 /nfs/dbraw/zinc/01/18/52/555011852.db2.gz XJKDCOCGKJGOAO-IUKMQXEJSA-N -1 1 516.594 6.413 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102697432 555011857 /nfs/dbraw/zinc/01/18/57/555011857.db2.gz XJKDCOCGKJGOAO-IUKMQXEJSA-N -1 1 516.594 6.413 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102700141 555012704 /nfs/dbraw/zinc/01/27/04/555012704.db2.gz MQJCMPFZYBETQB-HOGKFDNTSA-N -1 1 502.548 5.173 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102706160 555014599 /nfs/dbraw/zinc/01/45/99/555014599.db2.gz PAYNYEPXUNPBGQ-NPJIAGGLSA-N -1 1 514.622 6.922 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000102706464 555015046 /nfs/dbraw/zinc/01/50/46/555015046.db2.gz AFQHFMXQWASFCF-COUQNMRISA-N -1 1 515.547 5.456 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102706492 555015121 /nfs/dbraw/zinc/01/51/21/555015121.db2.gz HITNVHVKZUHGPX-NPJIAGGLSA-N -1 1 514.603 5.947 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102709894 555016058 /nfs/dbraw/zinc/01/60/58/555016058.db2.gz AMAYZDHTHMIRNY-SBXHHDGASA-N -1 1 514.603 5.811 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102715014 555018330 /nfs/dbraw/zinc/01/83/30/555018330.db2.gz MISBRRRXGJIDEY-ONQGDUAMSA-N -1 1 510.546 6.190 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102715014 555018331 /nfs/dbraw/zinc/01/83/31/555018331.db2.gz MISBRRRXGJIDEY-ONQGDUAMSA-N -1 1 510.546 6.190 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102716239 555018896 /nfs/dbraw/zinc/01/88/96/555018896.db2.gz SQHIGWBEZBTIAS-AYWGPLOBSA-N -1 1 533.005 5.925 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000102716533 555018950 /nfs/dbraw/zinc/01/89/50/555018950.db2.gz FUPCCEPYHLPQNJ-CZNAVJSXSA-N -1 1 528.630 6.282 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102727871 555022503 /nfs/dbraw/zinc/02/25/03/555022503.db2.gz HVLJUGAMUUKFGM-AYWGPLOBSA-N -1 1 549.446 6.311 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102728330 555022862 /nfs/dbraw/zinc/02/28/62/555022862.db2.gz XHGUNLFLGXNPOU-SBXHHDGASA-N -1 1 502.592 6.175 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102728330 555022864 /nfs/dbraw/zinc/02/28/64/555022864.db2.gz XHGUNLFLGXNPOU-SBXHHDGASA-N -1 1 502.592 6.175 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102729339 555022985 /nfs/dbraw/zinc/02/29/85/555022985.db2.gz DRBWPFLLBIOTOK-SBXHHDGASA-N -1 1 500.576 5.502 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102733463 555024377 /nfs/dbraw/zinc/02/43/77/555024377.db2.gz CVXZFCNSWDNFPD-ZHHPLPSFSA-N -1 1 504.995 6.147 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102733463 555024379 /nfs/dbraw/zinc/02/43/79/555024379.db2.gz CVXZFCNSWDNFPD-ZHHPLPSFSA-N -1 1 504.995 6.147 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000102734021 555024721 /nfs/dbraw/zinc/02/47/21/555024721.db2.gz GZXOZMNNXWFGTI-LFVOPCPISA-N -1 1 503.736 5.034 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102735471 555025530 /nfs/dbraw/zinc/02/55/30/555025530.db2.gz KBNHGJJMAILFAX-NBXYUPGTSA-N -1 1 588.685 7.133 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735564 555025844 /nfs/dbraw/zinc/02/58/44/555025844.db2.gz MVXYYBMZRJUPNX-NXLSVDECSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735564 555025846 /nfs/dbraw/zinc/02/58/46/555025846.db2.gz MVXYYBMZRJUPNX-NXLSVDECSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735584 555025887 /nfs/dbraw/zinc/02/58/87/555025887.db2.gz CQJMZSADGFEQTO-FLJNSMSWSA-N -1 1 595.076 7.692 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735584 555025889 /nfs/dbraw/zinc/02/58/89/555025889.db2.gz CQJMZSADGFEQTO-FLJNSMSWSA-N -1 1 595.076 7.692 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736983 555026415 /nfs/dbraw/zinc/02/64/15/555026415.db2.gz UXLVVDZMFOWANP-JFTLGNCFSA-N -1 1 557.584 5.553 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736942 555026458 /nfs/dbraw/zinc/02/64/58/555026458.db2.gz CSORDWJNGNFVGM-XLNMUAQOSA-N -1 1 531.521 5.293 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102737013 555026527 /nfs/dbraw/zinc/02/65/27/555026527.db2.gz HZBMRQDECDMLNG-HAQIDCBSSA-N -1 1 557.584 5.553 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770822 555058196 /nfs/dbraw/zinc/05/81/96/555058196.db2.gz WCUOGRPSJCNIPT-KYWXLPDZSA-N -1 1 581.875 6.662 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102770795 555058300 /nfs/dbraw/zinc/05/83/00/555058300.db2.gz POKKWNQXRAOCJH-GMBUILNLSA-N -1 1 551.451 6.861 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770824 555058333 /nfs/dbraw/zinc/05/83/33/555058333.db2.gz WCUOGRPSJCNIPT-FECHNCLXSA-N -1 1 581.875 6.662 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770875 555058588 /nfs/dbraw/zinc/05/85/88/555058588.db2.gz CRLYBMABKQPXFA-HTUFKCTLSA-N -1 1 542.632 6.683 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771059 555059270 /nfs/dbraw/zinc/05/92/70/555059270.db2.gz KMCXZOAGTOMQQS-FECHNCLXSA-N -1 1 537.424 6.553 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000102771106 555059718 /nfs/dbraw/zinc/05/97/18/555059718.db2.gz KSIJWZJCDYZFEB-YMCWBSDSSA-N -1 1 520.969 6.039 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102771331 555060237 /nfs/dbraw/zinc/06/02/37/555060237.db2.gz ADPNXSATEHZAJK-RKQXULEVSA-N -1 1 531.033 6.516 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771318 555060353 /nfs/dbraw/zinc/06/03/53/555060353.db2.gz SIHLOBQMBVIWPL-CIKQMSCWSA-N -1 1 576.099 6.434 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3)ccc2O1 ZINC000102771407 555060454 /nfs/dbraw/zinc/06/04/54/555060454.db2.gz VMZQADAWYFPICE-CHDCXXRXSA-N -1 1 502.979 5.899 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3)ccc2O1 ZINC000102771407 555060456 /nfs/dbraw/zinc/06/04/56/555060456.db2.gz VMZQADAWYFPICE-CHDCXXRXSA-N -1 1 502.979 5.899 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)s2)cc1 ZINC000102771441 555060462 /nfs/dbraw/zinc/06/04/62/555060462.db2.gz NNQBECOHYBXCFG-OTQMSCLFSA-N -1 1 573.671 6.228 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccs3)ccc2O1 ZINC000102771542 555060547 /nfs/dbraw/zinc/06/05/47/555060547.db2.gz NOBWSQFCHBHUCV-HEWWQJFPSA-N -1 1 509.008 5.961 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102860181 555090339 /nfs/dbraw/zinc/09/03/39/555090339.db2.gz GUKYHZIZBOLWDS-WOOAAIBNSA-N -1 1 527.421 5.755 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102861486 555091574 /nfs/dbraw/zinc/09/15/74/555091574.db2.gz VBTHNENAXOPBLC-SBXHHDGASA-N -1 1 500.576 5.638 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102862219 555092351 /nfs/dbraw/zinc/09/23/51/555092351.db2.gz VDQABNRLQFWCAL-NXLSWJSLSA-N -1 1 515.566 5.499 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102864133 555093890 /nfs/dbraw/zinc/09/38/90/555093890.db2.gz RYXFTQPWDLOPIF-IUKMQXEJSA-N -1 1 570.623 5.974 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102864133 555093893 /nfs/dbraw/zinc/09/38/93/555093893.db2.gz RYXFTQPWDLOPIF-IUKMQXEJSA-N -1 1 570.623 5.974 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102864210 555093912 /nfs/dbraw/zinc/09/39/12/555093912.db2.gz MQVHEJDUCDJWAH-AYWGPLOBSA-N -1 1 520.563 5.240 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102865129 555094812 /nfs/dbraw/zinc/09/48/12/555094812.db2.gz HAZKIRBYKNWTHQ-HOGKFDNTSA-N -1 1 506.967 5.593 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102866135 555095400 /nfs/dbraw/zinc/09/54/00/555095400.db2.gz UZBHFRMYQROCAF-IKZPYDRGSA-N -1 1 556.640 6.043 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000102866294 555095443 /nfs/dbraw/zinc/09/54/43/555095443.db2.gz VCBSJWBDZVGMJI-MOBKVPTQSA-N -1 1 538.597 5.491 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102866139 555095544 /nfs/dbraw/zinc/09/55/44/555095544.db2.gz UZBHFRMYQROCAF-OFNYXUPYSA-N -1 1 556.640 6.043 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000102867458 555096957 /nfs/dbraw/zinc/09/69/57/555096957.db2.gz FTKDMGJGQKYONK-MWCANZRFSA-N -1 1 574.655 5.533 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000102867458 555096958 /nfs/dbraw/zinc/09/69/58/555096958.db2.gz FTKDMGJGQKYONK-MWCANZRFSA-N -1 1 574.655 5.533 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102869019 555098240 /nfs/dbraw/zinc/09/82/40/555098240.db2.gz VUGMDOQBIHBHKQ-WKUSSTJHSA-N -1 1 570.667 6.434 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCCC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102869087 555098477 /nfs/dbraw/zinc/09/84/77/555098477.db2.gz XSNYUNULXNPZAW-QAXCHELISA-N -1 1 556.703 7.266 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccccc2F)cc1 ZINC000102869097 555098569 /nfs/dbraw/zinc/09/85/69/555098569.db2.gz ATRNNJBBCKQESI-SBXHHDGASA-N -1 1 502.567 6.023 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccccc2F)cc1 ZINC000102869097 555098571 /nfs/dbraw/zinc/09/85/71/555098571.db2.gz ATRNNJBBCKQESI-SBXHHDGASA-N -1 1 502.567 6.023 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102869146 555098603 /nfs/dbraw/zinc/09/86/03/555098603.db2.gz PWOVAFUHCJHMPF-JFTLGNCFSA-N -1 1 514.578 5.948 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102869371 555098869 /nfs/dbraw/zinc/09/88/69/555098869.db2.gz DIIWPGNAYVFXFS-VURVUJTCSA-N -1 1 554.668 6.652 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870040 555099832 /nfs/dbraw/zinc/09/98/32/555099832.db2.gz DINGZXPGZDTWAZ-QNIVJUIWSA-N -1 1 540.597 5.341 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102870182 555100404 /nfs/dbraw/zinc/10/04/04/555100404.db2.gz XVIZRDQQAZZLMS-ZRUWLVFBSA-N -1 1 618.711 7.224 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102870338 555100490 /nfs/dbraw/zinc/10/04/90/555100490.db2.gz ALLZZIQAGJZKAE-TXTDGAROSA-N -1 1 621.111 6.925 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102871294 555101926 /nfs/dbraw/zinc/10/19/26/555101926.db2.gz XJOPMKQSRQCJPX-YMMFOPJESA-N -1 1 562.644 5.367 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102871294 555101928 /nfs/dbraw/zinc/10/19/28/555101928.db2.gz XJOPMKQSRQCJPX-YMMFOPJESA-N -1 1 562.644 5.367 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102872958 555103526 /nfs/dbraw/zinc/10/35/26/555103526.db2.gz KGDINQBMIOGYCN-SBXHHDGASA-N -1 1 544.585 5.117 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102872977 555103553 /nfs/dbraw/zinc/10/35/53/555103553.db2.gz LHAHKLURDVJANK-MRJHHRETSA-N -1 1 521.392 5.694 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102873194 555103757 /nfs/dbraw/zinc/10/37/57/555103757.db2.gz UWAYDYSDEJVZPD-IUKMQXEJSA-N -1 1 514.603 6.028 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102873888 555104016 /nfs/dbraw/zinc/10/40/16/555104016.db2.gz NNMXLJJJKUDOAV-SBXHHDGASA-N -1 1 534.565 5.478 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102873800 555104045 /nfs/dbraw/zinc/10/40/45/555104045.db2.gz ADSHLROOOJUMMC-WOOAAIBNSA-N -1 1 517.415 6.300 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102874107 555104401 /nfs/dbraw/zinc/10/44/01/555104401.db2.gz URCKTZCIDIERHJ-IUKMQXEJSA-N -1 1 530.621 6.758 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2OC)cc1 ZINC000102874234 555104408 /nfs/dbraw/zinc/10/44/08/555104408.db2.gz DSRBHABXIJZPBF-QKJBWNOYSA-N -1 1 514.603 5.947 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102874631 555104872 /nfs/dbraw/zinc/10/48/72/555104872.db2.gz MMZGIJOLZNTJPU-UVDRRRQGSA-N -1 1 512.587 5.634 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102875223 555105311 /nfs/dbraw/zinc/10/53/11/555105311.db2.gz XDMTXKHCNGRSMV-YDJIHCHBSA-N -1 1 509.356 5.824 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102879710 555108729 /nfs/dbraw/zinc/10/87/29/555108729.db2.gz XBIIYTMOIATXSP-ZHHPLPSFSA-N -1 1 561.015 6.310 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102882540 555110747 /nfs/dbraw/zinc/11/07/47/555110747.db2.gz QNCYMUULJLIJQO-COUQNMRISA-N -1 1 534.590 5.467 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102882540 555110748 /nfs/dbraw/zinc/11/07/48/555110748.db2.gz QNCYMUULJLIJQO-COUQNMRISA-N -1 1 534.590 5.467 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102883269 555111607 /nfs/dbraw/zinc/11/16/07/555111607.db2.gz CUURSCQXYYXXSP-IAMBOQNYSA-N -1 1 506.605 5.618 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102883553 555111917 /nfs/dbraw/zinc/11/19/17/555111917.db2.gz NELUYDHZVSZAKH-WKUSSTJHSA-N -1 1 604.725 6.572 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102883553 555111919 /nfs/dbraw/zinc/11/19/19/555111919.db2.gz NELUYDHZVSZAKH-WKUSSTJHSA-N -1 1 604.725 6.572 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102883556 555112050 /nfs/dbraw/zinc/11/20/50/555112050.db2.gz NELUYDHZVSZAKH-XKNZNLGKSA-N -1 1 604.725 6.572 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102883556 555112053 /nfs/dbraw/zinc/11/20/53/555112053.db2.gz NELUYDHZVSZAKH-XKNZNLGKSA-N -1 1 604.725 6.572 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102883489 555112068 /nfs/dbraw/zinc/11/20/68/555112068.db2.gz SHHLDHWGMTTXOK-VBFYJPTMSA-N -1 1 542.613 5.577 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102883835 555112245 /nfs/dbraw/zinc/11/22/45/555112245.db2.gz NTUXJUUDVICZJN-CGKJMNDRSA-N -1 1 530.577 5.784 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102883835 555112247 /nfs/dbraw/zinc/11/22/47/555112247.db2.gz NTUXJUUDVICZJN-CGKJMNDRSA-N -1 1 530.577 5.784 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102883821 555112279 /nfs/dbraw/zinc/11/22/79/555112279.db2.gz GKKKHLFDZCVXIK-WATAJRNESA-N -1 1 612.748 7.296 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102884370 555113223 /nfs/dbraw/zinc/11/32/23/555113223.db2.gz DZOLFQSCZGSZRU-AYWGPLOBSA-N -1 1 534.977 5.356 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102884529 555113399 /nfs/dbraw/zinc/11/33/99/555113399.db2.gz WZDSJZYFPBNZRD-RQBWANKVSA-N -1 1 539.009 5.231 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102884660 555113735 /nfs/dbraw/zinc/11/37/35/555113735.db2.gz SBUCTQDPQWJYEJ-LOTNQUKISA-N -1 1 604.684 6.834 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102885410 555115507 /nfs/dbraw/zinc/11/55/07/555115507.db2.gz IAHZHVVUXNSECS-JFTLGNCFSA-N -1 1 531.033 6.462 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102886339 555116945 /nfs/dbraw/zinc/11/69/45/555116945.db2.gz LVUDUIBMLLOXQG-RFAFYKRUSA-N -1 1 570.623 5.431 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102886339 555116946 /nfs/dbraw/zinc/11/69/46/555116946.db2.gz LVUDUIBMLLOXQG-RFAFYKRUSA-N -1 1 570.623 5.431 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102886354 555117000 /nfs/dbraw/zinc/11/70/00/555117000.db2.gz PZDCWPVYYXHEBH-JFTLGNCFSA-N -1 1 528.586 5.263 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102886352 555117016 /nfs/dbraw/zinc/11/70/16/555117016.db2.gz PZDCWPVYYXHEBH-HAQIDCBSSA-N -1 1 528.586 5.263 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102887243 555118565 /nfs/dbraw/zinc/11/85/65/555118565.db2.gz AHBQYMOHVRJNBR-TXTDGAROSA-N -1 1 586.666 6.127 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102887243 555118568 /nfs/dbraw/zinc/11/85/68/555118568.db2.gz AHBQYMOHVRJNBR-TXTDGAROSA-N -1 1 586.666 6.127 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102887246 555118653 /nfs/dbraw/zinc/11/86/53/555118653.db2.gz RTHQXQUYQWGYDB-AQUGINBJSA-N -1 1 598.721 7.050 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102887432 555119210 /nfs/dbraw/zinc/11/92/10/555119210.db2.gz SQBOGJXESIFOPF-XVTRYDTASA-N -1 1 606.697 5.765 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(CC)cc3)sc2c1 ZINC000102887507 555119622 /nfs/dbraw/zinc/11/96/22/555119622.db2.gz VUNABNJTMVLUIN-OFNYXUPYSA-N -1 1 540.641 6.207 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102887686 555119852 /nfs/dbraw/zinc/11/98/52/555119852.db2.gz LSAJQMLXYKRABR-NYFCFKJUSA-N -1 1 619.139 7.477 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102887686 555119854 /nfs/dbraw/zinc/11/98/54/555119854.db2.gz LSAJQMLXYKRABR-NYFCFKJUSA-N -1 1 619.139 7.477 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102887808 555120129 /nfs/dbraw/zinc/12/01/29/555120129.db2.gz JLYOKVIJEMEGHU-JLPDLQRYSA-N -1 1 599.734 6.569 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102887796 555120149 /nfs/dbraw/zinc/12/01/49/555120149.db2.gz NBDGZFWZCKJWQA-ONQGDUAMSA-N -1 1 582.678 6.450 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102887796 555120151 /nfs/dbraw/zinc/12/01/51/555120151.db2.gz NBDGZFWZCKJWQA-ONQGDUAMSA-N -1 1 582.678 6.450 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102887779 555120158 /nfs/dbraw/zinc/12/01/58/555120158.db2.gz SEEXHYXBJFGPBG-OGHRCCBNSA-N -1 1 617.680 5.706 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000102887747 555120241 /nfs/dbraw/zinc/12/02/41/555120241.db2.gz BOLUSANVDUIYRP-WYNCGZBVSA-N -1 1 632.735 6.322 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000102887747 555120244 /nfs/dbraw/zinc/12/02/44/555120244.db2.gz BOLUSANVDUIYRP-WYNCGZBVSA-N -1 1 632.735 6.322 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102888343 555121404 /nfs/dbraw/zinc/12/14/04/555121404.db2.gz NBSOEEJUHDOXQV-HWTUVFLMSA-N -1 1 584.694 6.742 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102888628 555121861 /nfs/dbraw/zinc/12/18/61/555121861.db2.gz YBLJCKVYHLNPIU-ROBPHKHBSA-N -1 1 617.724 6.708 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102888811 555122428 /nfs/dbraw/zinc/12/24/28/555122428.db2.gz FQSRWDGIOJOJIR-NNZNMFTDSA-N -1 1 612.748 7.378 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000102889751 555124183 /nfs/dbraw/zinc/12/41/83/555124183.db2.gz DDENSBPNMAWEEO-NXLSWJSLSA-N -1 1 548.661 6.050 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000102889751 555124185 /nfs/dbraw/zinc/12/41/85/555124185.db2.gz DDENSBPNMAWEEO-NXLSWJSLSA-N -1 1 548.661 6.050 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102889755 555124203 /nfs/dbraw/zinc/12/42/03/555124203.db2.gz KAFUPGWNMLNMOQ-JFTLGNCFSA-N -1 1 547.032 6.298 50 30 KKEAMM 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CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(Oc3ccccc3)cc2)nc1C ZINC000138215192 571451167 /nfs/dbraw/zinc/45/11/67/571451167.db2.gz PGUMMBMMCJURCG-QFIPXVFZSA-N -1 1 530.558 5.796 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000150422195 571488050 /nfs/dbraw/zinc/48/80/50/571488050.db2.gz PCXGNBGMNYVOGS-GYBOJBDRSA-N -1 1 671.841 7.604 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000150422336 571488363 /nfs/dbraw/zinc/48/83/63/571488363.db2.gz BVDHMYYHSNTMIR-ZORLYMSLSA-N -1 1 644.746 6.916 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000150422336 571488365 /nfs/dbraw/zinc/48/83/65/571488365.db2.gz BVDHMYYHSNTMIR-ZORLYMSLSA-N -1 1 644.746 6.916 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000150422324 571488389 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CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000150424935 571489501 /nfs/dbraw/zinc/48/95/01/571489501.db2.gz DLLDVSBPYIPKPC-CJNZMNDESA-N -1 1 721.901 8.757 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000150433132 571494418 /nfs/dbraw/zinc/49/44/18/571494418.db2.gz HBVCTDUPFCMFRJ-QHCPKHFHSA-N -1 1 630.487 6.282 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000150435435 571495463 /nfs/dbraw/zinc/49/54/63/571495463.db2.gz IVTKOYCZXOACFX-QMMFTLRZSA-N -1 1 718.640 8.114 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000150435568 571495488 /nfs/dbraw/zinc/49/54/88/571495488.db2.gz ZZILABCOXMIXAC-RBHLQMETSA-N -1 1 760.721 9.065 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 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C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150460282 571505916 /nfs/dbraw/zinc/50/59/16/571505916.db2.gz JIBTYEHTTBGWEJ-DNNDWWBDSA-N -1 1 646.762 6.568 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150460282 571505918 /nfs/dbraw/zinc/50/59/18/571505918.db2.gz JIBTYEHTTBGWEJ-DNNDWWBDSA-N -1 1 646.762 6.568 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000150460513 571506172 /nfs/dbraw/zinc/50/61/72/571506172.db2.gz XUHBUAZGIZRTQC-NSUOQXISSA-N -1 1 627.900 6.376 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150461212 571506396 /nfs/dbraw/zinc/50/63/96/571506396.db2.gz DDNMCDZVBBTUFJ-JNYBUSFRSA-N -1 1 633.795 8.057 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150461142 571506406 /nfs/dbraw/zinc/50/64/06/571506406.db2.gz FEIIJYJUZCVHIQ-NBXYUPGTSA-N -1 1 689.831 7.887 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150461031 571506409 /nfs/dbraw/zinc/50/64/09/571506409.db2.gz DYYSCCKMEOSIMP-RIEKNRFYSA-N -1 1 649.794 7.722 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150462847 571506697 /nfs/dbraw/zinc/50/66/97/571506697.db2.gz GDOOMUPVZBWQEQ-QXCFGMLZSA-N -1 1 634.710 6.842 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150462847 571506698 /nfs/dbraw/zinc/50/66/98/571506698.db2.gz GDOOMUPVZBWQEQ-QXCFGMLZSA-N -1 1 634.710 6.842 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150462801 571506716 /nfs/dbraw/zinc/50/67/16/571506716.db2.gz MVXUFUWGMRNRTA-QZDFLZESSA-N -1 1 671.841 7.748 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150463056 571507050 /nfs/dbraw/zinc/50/70/50/571507050.db2.gz MDERYTBUDOXSNU-TXTDGAROSA-N -1 1 648.734 6.015 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000150463725 571507441 /nfs/dbraw/zinc/50/74/41/571507441.db2.gz PLCQYOAYRFJKNB-QMMFTLRZSA-N -1 1 636.770 7.606 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463707 571507451 /nfs/dbraw/zinc/50/74/51/571507451.db2.gz HZMUETVAUGBJME-LOOKCOSASA-N -1 1 648.206 7.612 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150464426 571507622 /nfs/dbraw/zinc/50/76/22/571507622.db2.gz UIGXRKOXTLMZAE-FLJNSMSWSA-N -1 1 712.677 8.274 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150464008 571507734 /nfs/dbraw/zinc/50/77/34/571507734.db2.gz DXVHJJDRGKOWGR-QDMOOSCLSA-N -1 1 623.481 5.731 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150464435 571507756 /nfs/dbraw/zinc/50/77/56/571507756.db2.gz UIGXRKOXTLMZAE-GBIFRDBCSA-N -1 1 712.677 8.274 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150467204 571508089 /nfs/dbraw/zinc/50/80/89/571508089.db2.gz UAMJXCQTGNPPDF-KFLIVHAJSA-N -1 1 695.819 7.569 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150467449 571508116 /nfs/dbraw/zinc/50/81/16/571508116.db2.gz ALDPAEAXLISTFZ-DFXXOVSGSA-N -1 1 643.743 6.191 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000150472817 571510076 /nfs/dbraw/zinc/51/00/76/571510076.db2.gz JBYJSYGGSIUHDS-ZORLYMSLSA-N -1 1 663.777 7.115 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150476318 571510827 /nfs/dbraw/zinc/51/08/27/571510827.db2.gz HSXAVPDVGAGPRN-HYVCFMKYSA-N -1 1 696.678 8.512 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150476592 571511008 /nfs/dbraw/zinc/51/10/08/571511008.db2.gz VUPPKRKZTNDVJT-SZYGQJGOSA-N -1 1 679.820 7.806 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150480422 571511969 /nfs/dbraw/zinc/51/19/69/571511969.db2.gz RMHLKELEGUMZCP-QMMFTLRZSA-N -1 1 649.750 6.946 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150482804 571513435 /nfs/dbraw/zinc/51/34/35/571513435.db2.gz ITUOTMFVHYQISU-QMMFTLRZSA-N -1 1 691.803 7.335 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000150484879 571515436 /nfs/dbraw/zinc/51/54/36/571515436.db2.gz GKZPVEVDUNHMNT-KNZGKXHUSA-N -1 1 644.989 7.740 50 30 KKEAMM Cc1nc(-c2ccccc2)sc1C(=O)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1cccnc1 ZINC000150485890 571516135 /nfs/dbraw/zinc/51/61/35/571516135.db2.gz XCTDZLDNGKNUOA-SANMLTNESA-N -1 1 633.780 7.593 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000150600495 571522494 /nfs/dbraw/zinc/52/24/94/571522494.db2.gz SEXQYTHSXJHLGB-AREMUKBSSA-N -1 1 628.663 6.822 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(OC)c(OC)c5)coc4c32)cc1 ZINC000263584800 572115403 /nfs/dbraw/zinc/11/54/03/572115403.db2.gz AUNVAGMULMMSAE-DEOSSOPVSA-N -1 1 572.654 7.363 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1 ZINC000263584800 572115408 /nfs/dbraw/zinc/11/54/08/572115408.db2.gz AUNVAGMULMMSAE-DEOSSOPVSA-N -1 1 572.654 7.363 50 30 KKEAMM O=[N+]([O-])c1ccc(Nc2nc([N-]N=Cc3ccc(-c4ccc(Cl)cc4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000334160646 572153882 /nfs/dbraw/zinc/15/38/82/572153882.db2.gz JHRNMDQUYCWSFV-LQKURTRISA-N -1 1 526.944 6.048 50 30 KKEAMM O=C(Nc1cccc(N=Cc2cc(Cc3ccccc3)cc(Br)c2[O-])c1)c1cccc(Cl)c1 ZINC000245225838 572203081 /nfs/dbraw/zinc/20/30/81/572203081.db2.gz SLVAJMXBVJAGAI-UHFFFAOYSA-N -1 1 519.826 7.402 50 30 KKEAMM COc1ccc(C=NN=c2nc(NN=Cc3ccc(OC)cc3OC)nc(N(c3ccccc3)c3ccccc3)[n-]2)c(OC)c1 ZINC000252591346 572266684 /nfs/dbraw/zinc/26/66/84/572266684.db2.gz BACIDYPULSCSKL-UHFFFAOYSA-N -1 1 604.671 6.268 50 30 KKEAMM Cc1ccc(S(=O)(=O)Nc2ccccc2N=Cc2c3c(cc(Br)c2[O-])oc2c3CCCC2)cc1 ZINC000252616885 572268890 /nfs/dbraw/zinc/26/88/90/572268890.db2.gz KHUBKDHCJFMHDC-UHFFFAOYSA-N -1 1 539.451 6.640 50 30 KKEAMM C=CCn1c(COc2cc3c(cc2Br)n(C2CCCCC2)c(C)c3C(=O)OCC)n[n-]c1=S ZINC000253599968 572300690 /nfs/dbraw/zinc/30/06/90/572300690.db2.gz ZGHNHMBFHFVTMG-UHFFFAOYSA-N -1 1 533.492 6.413 50 30 KKEAMM CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCCCCC ZINC000087529243 1069683888 /nfs/dbraw/zinc/68/38/88/1069683888.db2.gz RHODCGQMKYNKED-SXOMAYOGSA-N -1 1 623.765 6.829 50 30 in-vitro KKEAMM CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@](=O)([O-])OC[C@H](O)CO ZINC000102191084 1069701350 /nfs/dbraw/zinc/70/13/50/1069701350.db2.gz CATKZNHUBTWOSQ-FQLXRVMXSA-N -1 1 624.793 7.160 50 30 KKEAMM CC(=O)[C@@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000101405201 1069793935 /nfs/dbraw/zinc/79/39/35/1069793935.db2.gz HOYYOPVQECUWBL-XFYOTJRLSA-N -1 1 506.312 5.336 50 30 KKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000106693971 1071071152 /nfs/dbraw/zinc/07/11/52/1071071152.db2.gz XVAIFAXEBVRSBD-UHFFFAOYSA-N -1 1 597.418 7.584 50 30 KKEAMM C=C(C)COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)c1 ZINC000217812023 1071292650 /nfs/dbraw/zinc/29/26/50/1071292650.db2.gz NOYPKRXHHRKFGW-LJQANCHMSA-N -1 1 500.503 5.276 50 30 biogenic KKEAMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cccc(N=C2C=C(c3ccccc3)[C@](O)(c3ccccc3)C2)c1 ZINC000254395861 1072852055 /nfs/dbraw/zinc/85/20/55/1072852055.db2.gz BCBGXTFJRWBPNN-GDLZYMKVSA-N -1 1 548.586 6.954 50 30 KKEAMM COc1ccc([N-]S(=O)(=O)c2cc(N=Cc3ccc4c(c3)OCCO4)ccc2N2CCCCC2)cc1 ZINC000254506959 1072860442 /nfs/dbraw/zinc/86/04/42/1072860442.db2.gz OKWLCGNESOPIRP-UHFFFAOYSA-N -1 1 507.612 5.008 50 30 KKEAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000254659108 1072869490 /nfs/dbraw/zinc/86/94/90/1072869490.db2.gz PHLXRRHMOBJNKF-UHFFFAOYSA-N -1 1 538.589 5.694 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000000631093 551505060 /nfs/dbraw/zinc/50/50/60/551505060.db2.gz DBZFYQVBOOYEKY-QFIPXVFZSA-N -1 1 520.607 5.427 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000000631093 551505062 /nfs/dbraw/zinc/50/50/62/551505062.db2.gz DBZFYQVBOOYEKY-QFIPXVFZSA-N -1 1 520.607 5.427 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000000635127 551505840 /nfs/dbraw/zinc/50/58/40/551505840.db2.gz BHNPMPBMDCCHIO-HXUWFJFHSA-N -1 1 542.997 5.082 50 30 KKEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000000702470 551529635 /nfs/dbraw/zinc/52/96/35/551529635.db2.gz NQHBUWDPEZZDEQ-OAQYLSRUSA-N -1 1 521.614 5.419 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000000703114 551530722 /nfs/dbraw/zinc/53/07/22/551530722.db2.gz CYYFCIWNGWOESQ-VWLOTQADSA-N -1 1 526.570 6.238 50 30 KKEAMM Cc1nc(SCC(=O)c2ccc([O-])c(O)c2)c(C#N)c(-c2ccc(Br)cc2)c1C(=O)Nc1ccccc1 ZINC000000859211 551550738 /nfs/dbraw/zinc/55/07/38/551550738.db2.gz CFBFKMVXKQVWIV-UHFFFAOYSA-N -1 1 574.456 6.330 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243209 551631206 /nfs/dbraw/zinc/63/12/06/551631206.db2.gz QTLMVTVGDJFWIA-HMILPKGGSA-N -1 1 530.602 5.300 50 30 KKEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(F)cc1 ZINC000001304790 551638480 /nfs/dbraw/zinc/63/84/80/551638480.db2.gz QJWJZTNUTYDFGW-ADXZGYQBSA-N -1 1 529.524 5.499 50 30 KKEAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001306046 551638976 /nfs/dbraw/zinc/63/89/76/551638976.db2.gz KLSJULGXXAIOPT-RBBQXQBVSA-N -1 1 580.681 6.536 50 30 KKEAMM COc1cc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001322619 551642083 /nfs/dbraw/zinc/64/20/83/551642083.db2.gz YHQQUHQUFYMXJY-ADKRDUOOSA-N -1 1 546.576 5.071 50 30 biogenic KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001449134 551674565 /nfs/dbraw/zinc/67/45/65/551674565.db2.gz CODFUXKYASYJKR-VWLOTQADSA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001449134 551674566 /nfs/dbraw/zinc/67/45/66/551674566.db2.gz CODFUXKYASYJKR-VWLOTQADSA-N -1 1 546.601 5.504 50 30 KKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Br)c1 ZINC000001449870 551674953 /nfs/dbraw/zinc/67/49/53/551674953.db2.gz VBQRFRJISHYYBB-GOSISDBHSA-N -1 1 515.385 6.042 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000001450359 551675192 /nfs/dbraw/zinc/67/51/92/551675192.db2.gz BLDCWHPWDZRITG-RUZDIDTESA-N -1 1 530.602 5.722 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000001450358 551675251 /nfs/dbraw/zinc/67/52/51/551675251.db2.gz BLDCWHPWDZRITG-VWLOTQADSA-N -1 1 530.602 5.722 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000001450366 551675635 /nfs/dbraw/zinc/67/56/35/551675635.db2.gz ZTBVVHYOSLMZEG-VWLOTQADSA-N -1 1 530.602 5.804 50 30 KKEAMM COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001457573 551677247 /nfs/dbraw/zinc/67/72/47/551677247.db2.gz AWUVMGNLLWGWBU-UGDMGKLASA-N -1 1 510.590 5.769 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000001463459 551679719 /nfs/dbraw/zinc/67/97/19/551679719.db2.gz JXOZWJOKZSUEJT-XMMPIXPASA-N -1 1 558.587 6.343 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001479894 551681202 /nfs/dbraw/zinc/68/12/02/551681202.db2.gz OSQZCSPSGZANNQ-XMMPIXPASA-N -1 1 530.602 5.722 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000001479925 551681232 /nfs/dbraw/zinc/68/12/32/551681232.db2.gz DEFDJCIFVMCDMV-FQEVSTJZSA-N -1 1 541.448 6.302 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccccc2F)nc1C ZINC000001480087 551681521 /nfs/dbraw/zinc/68/15/21/551681521.db2.gz LLUMGEOIYRGJNB-OAQYLSRUSA-N -1 1 524.570 5.257 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccccc2F)nc1C ZINC000001480086 551681617 /nfs/dbraw/zinc/68/16/17/551681617.db2.gz LLUMGEOIYRGJNB-NRFANRHFSA-N -1 1 524.570 5.257 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001480658 551681877 /nfs/dbraw/zinc/68/18/77/551681877.db2.gz PRCGLGHBRZNZLX-RUZDIDTESA-N -1 1 530.602 5.722 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000001480698 551681924 /nfs/dbraw/zinc/68/19/24/551681924.db2.gz XIWBQXLGDVDRNL-LJQANCHMSA-N -1 1 527.421 5.912 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000001480652 551681961 /nfs/dbraw/zinc/68/19/61/551681961.db2.gz XIEBFLYYRNZLRU-XMMPIXPASA-N -1 1 528.586 5.491 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000001480884 551682155 /nfs/dbraw/zinc/68/21/55/551682155.db2.gz FBXPOLRTSBGXLH-VWLOTQADSA-N -1 1 530.602 5.885 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000001480884 551682157 /nfs/dbraw/zinc/68/21/57/551682157.db2.gz FBXPOLRTSBGXLH-VWLOTQADSA-N -1 1 530.602 5.885 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482280 551682649 /nfs/dbraw/zinc/68/26/49/551682649.db2.gz VVNBBCURURQOMW-HSZRJFAPSA-N -1 1 551.020 6.067 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482280 551682651 /nfs/dbraw/zinc/68/26/51/551682651.db2.gz VVNBBCURURQOMW-HSZRJFAPSA-N -1 1 551.020 6.067 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000001481485 551682656 /nfs/dbraw/zinc/68/26/56/551682656.db2.gz QCGILDIEIVQONI-QFIPXVFZSA-N -1 1 524.957 5.889 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001482369 551683059 /nfs/dbraw/zinc/68/30/59/551683059.db2.gz DMCFDLVOMBGZMH-XMMPIXPASA-N -1 1 534.565 5.634 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(Cl)c2)s1 ZINC000001845684 551714674 /nfs/dbraw/zinc/71/46/74/551714674.db2.gz AZWCBJGTELRWDP-XMMPIXPASA-N -1 1 532.021 6.170 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000001900534 551730578 /nfs/dbraw/zinc/73/05/78/551730578.db2.gz ZAVFACRFGUKUQV-FQEVSTJZSA-N -1 1 547.630 6.648 50 30 KKEAMM COc1ccc([C@H]2c3c4nc(-c5cc6ccccc6cc5[O-])nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002410855 552113759 /nfs/dbraw/zinc/11/37/59/552113759.db2.gz QQDWCNITJCPEPN-AREMUKBSSA-N -1 1 548.599 5.835 50 30 KKEAMM CCCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002604056 552135043 /nfs/dbraw/zinc/13/50/43/552135043.db2.gz KGSOGDAIIMELAM-UHFFFAOYSA-N -1 1 569.569 7.491 50 30 KKEAMM Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002652784 552147566 /nfs/dbraw/zinc/14/75/66/552147566.db2.gz SMCVKZNCYYZQPF-KRWDZBQOSA-N -1 1 533.786 7.430 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(N(C)C)cc3)sc2c1 ZINC000004641599 552470358 /nfs/dbraw/zinc/47/03/58/552470358.db2.gz WKVQQFABGIZAGS-AREMUKBSSA-N -1 1 539.613 6.290 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(N(C)C)cc3)sc2c1 ZINC000004641598 552470426 /nfs/dbraw/zinc/47/04/26/552470426.db2.gz WKVQQFABGIZAGS-SANMLTNESA-N -1 1 539.613 6.290 50 30 KKEAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N3)c1 ZINC000004793553 552485232 /nfs/dbraw/zinc/48/52/32/552485232.db2.gz FENGZFQXWPSJTE-OAQYLSRUSA-N -1 1 536.495 6.334 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1C ZINC000005355392 552498558 /nfs/dbraw/zinc/49/85/58/552498558.db2.gz HNOMQTASAGKFLZ-QFIPXVFZSA-N -1 1 538.597 5.647 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000005355327 552498654 /nfs/dbraw/zinc/49/86/54/552498654.db2.gz FCROLXKIGZLPOW-DEOSSOPVSA-N -1 1 580.659 5.526 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000005355619 552498870 /nfs/dbraw/zinc/49/88/70/552498870.db2.gz ZFIFLOYWKRSBTQ-XMMPIXPASA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000005355619 552498872 /nfs/dbraw/zinc/49/88/72/552498872.db2.gz ZFIFLOYWKRSBTQ-XMMPIXPASA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000005357062 552499288 /nfs/dbraw/zinc/49/92/88/552499288.db2.gz IAICEXZNVAXQLI-DEOSSOPVSA-N -1 1 578.643 5.302 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000005356959 552499372 /nfs/dbraw/zinc/49/93/72/552499372.db2.gz BHNPMPBMDCCHIO-FQEVSTJZSA-N -1 1 542.997 5.082 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)c(C)c1 ZINC000005357265 552499630 /nfs/dbraw/zinc/49/96/30/552499630.db2.gz JYCUKPBWJZSVNC-JOCHJYFZSA-N -1 1 553.036 5.938 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[n-]c(=O)c1[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000005917888 552511756 /nfs/dbraw/zinc/51/17/56/552511756.db2.gz ABEVQNBAKIDVEZ-HHHXNRCGSA-N -1 1 584.141 7.495 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000005919216 552512369 /nfs/dbraw/zinc/51/23/69/552512369.db2.gz BXTXINXLYAHZEE-JOCHJYFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000005919216 552512373 /nfs/dbraw/zinc/51/23/73/552512373.db2.gz BXTXINXLYAHZEE-JOCHJYFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000005919074 552512408 /nfs/dbraw/zinc/51/24/08/552512408.db2.gz SXVICOHQOOEVAE-DEOSSOPVSA-N -1 1 548.661 6.242 50 30 KKEAMM C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000006094783 552534259 /nfs/dbraw/zinc/53/42/59/552534259.db2.gz ZYSILPASAUMGDB-QFIPXVFZSA-N -1 1 504.999 5.098 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@@H]2c1cccc(Br)c1 ZINC000006143577 552545152 /nfs/dbraw/zinc/54/51/52/552545152.db2.gz WQFXOEMFZQRKNC-HXUWFJFHSA-N -1 1 522.468 6.025 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000006150602 552551426 /nfs/dbraw/zinc/55/14/26/552551426.db2.gz CMOHWWCDKQAUHM-DEOSSOPVSA-N -1 1 575.624 5.284 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000006212950 552570709 /nfs/dbraw/zinc/57/07/09/552570709.db2.gz QRZCTDCDDZWZSA-HSZRJFAPSA-N -1 1 593.639 5.558 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc(OC)c1OC ZINC000008383349 552986210 /nfs/dbraw/zinc/98/62/10/552986210.db2.gz OOWXFXXAYYHXBR-RUZDIDTESA-N -1 1 633.679 6.524 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008383319 552986228 /nfs/dbraw/zinc/98/62/28/552986228.db2.gz DVNJTYILLJFMSO-HSZRJFAPSA-N -1 1 612.491 7.805 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000008383371 552986462 /nfs/dbraw/zinc/98/64/62/552986462.db2.gz QTLGTGSBKANYPH-DEOSSOPVSA-N -1 1 573.627 6.507 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000008383388 552986494 /nfs/dbraw/zinc/98/64/94/552986494.db2.gz DJMZFFHPMDLWAK-HHHXNRCGSA-N -1 1 610.116 8.166 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000008383400 552986502 /nfs/dbraw/zinc/98/65/02/552986502.db2.gz PWBIHXULNGABPN-NDEPHWFRSA-N -1 1 646.190 8.582 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3cccc(O)c3)s2)cc1 ZINC000008384040 552988694 /nfs/dbraw/zinc/98/86/94/552988694.db2.gz RFLJRQXHFYXVEB-XMMPIXPASA-N -1 1 555.637 6.374 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1ccc(Cl)cc1 ZINC000008384052 552988752 /nfs/dbraw/zinc/98/87/52/552988752.db2.gz NKWDMLCBLDGQAE-QHCPKHFHSA-N -1 1 594.501 7.666 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000008384084 552988898 /nfs/dbraw/zinc/98/88/98/552988898.db2.gz NEWTTYMLPUJFST-DEOSSOPVSA-N -1 1 590.082 7.022 50 30 KKEAMM COCCN1C(=O)/C(=C/c2cc(OC)c([O-])c(Br)c2Br)S/C1=N\c1ccccc1 ZINC000008400446 553004691 /nfs/dbraw/zinc/00/46/91/553004691.db2.gz DAURPCBZQSQTMW-YRYRAUFLSA-N -1 1 542.249 5.176 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(OCc3ccccc3)cc2)nc1C ZINC000008441174 553039775 /nfs/dbraw/zinc/03/97/75/553039775.db2.gz SYPKFDTXRRYTAT-HHHXNRCGSA-N -1 1 564.619 6.762 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000008441162 553039840 /nfs/dbraw/zinc/03/98/40/553039840.db2.gz SXIYPSFKPVARNS-DEOSSOPVSA-N -1 1 530.602 6.362 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441656 553041385 /nfs/dbraw/zinc/04/13/85/553041385.db2.gz YZBWNPVAXCQESB-HSZRJFAPSA-N -1 1 545.414 6.896 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441656 553041387 /nfs/dbraw/zinc/04/13/87/553041387.db2.gz YZBWNPVAXCQESB-HSZRJFAPSA-N -1 1 545.414 6.896 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008441707 553041792 /nfs/dbraw/zinc/04/17/92/553041792.db2.gz ZMENDBZWKSNCLF-NDEPHWFRSA-N -1 1 552.652 7.621 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000008441733 553041888 /nfs/dbraw/zinc/04/18/88/553041888.db2.gz LZVLVVIRWWPNTE-JGCGQSQUSA-N -1 1 632.694 7.812 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008441773 553042197 /nfs/dbraw/zinc/04/21/97/553042197.db2.gz NZLIELVKFCBAIA-MHZLTWQESA-N -1 1 644.561 8.820 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(Br)c1 ZINC000008441817 553042442 /nfs/dbraw/zinc/04/24/42/553042442.db2.gz INSGWHZXEZSEEC-HSZRJFAPSA-N -1 1 622.497 7.261 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441780 553042467 /nfs/dbraw/zinc/04/24/67/553042467.db2.gz PIAVIMXJHAWGDP-SSEXGKCCSA-N -1 1 631.779 8.810 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441780 553042470 /nfs/dbraw/zinc/04/24/70/553042470.db2.gz PIAVIMXJHAWGDP-SSEXGKCCSA-N -1 1 631.779 8.810 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000008461999 553075710 /nfs/dbraw/zinc/07/57/10/553075710.db2.gz ZBUKCLLNIIMZIB-FYSMJZIKSA-N -1 1 576.099 6.590 50 30 KKEAMM Cc1ccc(NC(=O)c2[n-]cnc2N=C2SC[C@](O)(c3ccccc3Cl)N2c2ccccc2)cc1 ZINC000008656877 553108618 /nfs/dbraw/zinc/10/86/18/553108618.db2.gz FSSLTXVHZDCHSK-SEKJYVSJSA-N -1 1 504.015 5.710 50 30 KKEAMM Cc1ccc(NC(=O)c2nc[n-]c2N=C2SC[C@](O)(c3ccccc3Cl)N2c2ccccc2)cc1 ZINC000008656877 553108622 /nfs/dbraw/zinc/10/86/22/553108622.db2.gz FSSLTXVHZDCHSK-SEKJYVSJSA-N -1 1 504.015 5.710 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000008817135 553152384 /nfs/dbraw/zinc/15/23/84/553152384.db2.gz RXDHRWYAKSZXCZ-QHCPKHFHSA-N -1 1 504.539 5.626 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000008817136 553152633 /nfs/dbraw/zinc/15/26/33/553152633.db2.gz RXDHRWYAKSZXCZ-HSZRJFAPSA-N -1 1 504.539 5.626 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000008817911 553153106 /nfs/dbraw/zinc/15/31/06/553153106.db2.gz BBKVDSABWRYFRI-QHCPKHFHSA-N -1 1 504.539 5.626 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008827790 553157008 /nfs/dbraw/zinc/15/70/08/553157008.db2.gz OPISNMIFGMJUIH-HSZRJFAPSA-N -1 1 520.994 6.058 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008827790 553157010 /nfs/dbraw/zinc/15/70/10/553157010.db2.gz OPISNMIFGMJUIH-HSZRJFAPSA-N -1 1 520.994 6.058 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000008838301 553164964 /nfs/dbraw/zinc/16/49/64/553164964.db2.gz XWBMNQNOULYUSV-AYWGPLOBSA-N -1 1 514.416 5.639 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000008845781 553165767 /nfs/dbraw/zinc/16/57/67/553165767.db2.gz JUIZRAMVRAFVMG-VWLOTQADSA-N -1 1 512.587 5.822 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000008845781 553165769 /nfs/dbraw/zinc/16/57/69/553165769.db2.gz JUIZRAMVRAFVMG-VWLOTQADSA-N -1 1 512.587 5.822 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894391 553177582 /nfs/dbraw/zinc/17/75/82/553177582.db2.gz NBIKPDOTFBJAAK-XMMPIXPASA-N -1 1 502.567 6.179 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894391 553177583 /nfs/dbraw/zinc/17/75/83/553177583.db2.gz NBIKPDOTFBJAAK-XMMPIXPASA-N -1 1 502.567 6.179 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000008896918 553179088 /nfs/dbraw/zinc/17/90/88/553179088.db2.gz QNEVCIQDYQLUAA-DEOSSOPVSA-N -1 1 500.576 6.108 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000008896918 553179090 /nfs/dbraw/zinc/17/90/90/553179090.db2.gz QNEVCIQDYQLUAA-DEOSSOPVSA-N -1 1 500.576 6.108 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008896837 553179160 /nfs/dbraw/zinc/17/91/60/553179160.db2.gz QAESIRWTKOSRPL-VWLOTQADSA-N -1 1 516.594 6.570 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008896837 553179162 /nfs/dbraw/zinc/17/91/62/553179162.db2.gz QAESIRWTKOSRPL-VWLOTQADSA-N -1 1 516.594 6.570 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000008921221 553189723 /nfs/dbraw/zinc/18/97/23/553189723.db2.gz IUFFTLQWVXMURO-LJQANCHMSA-N -1 1 511.422 6.212 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008922516 553190250 /nfs/dbraw/zinc/19/02/50/553190250.db2.gz NQLFCRPAZPLURZ-NRFANRHFSA-N -1 1 506.486 5.144 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008934734 553193175 /nfs/dbraw/zinc/19/31/75/553193175.db2.gz KPWXHJMPWCJMEA-RUZDIDTESA-N -1 1 500.595 6.904 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008973267 553195309 /nfs/dbraw/zinc/19/53/09/553195309.db2.gz RNLRSQDMXHFLMY-OAQYLSRUSA-N -1 1 505.483 5.135 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008987217 553196591 /nfs/dbraw/zinc/19/65/91/553196591.db2.gz NQLFCRPAZPLURZ-OAQYLSRUSA-N -1 1 506.486 5.144 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000008987822 553196828 /nfs/dbraw/zinc/19/68/28/553196828.db2.gz WDJMNOGHYNVHMK-QHCPKHFHSA-N -1 1 504.539 5.626 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008996885 553197441 /nfs/dbraw/zinc/19/74/41/553197441.db2.gz ZKCKZXZWDIIIAX-RUZDIDTESA-N -1 1 514.603 5.967 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008996886 553197452 /nfs/dbraw/zinc/19/74/52/553197452.db2.gz ZKCKZXZWDIIIAX-VWLOTQADSA-N -1 1 514.603 5.967 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008996557 553197510 /nfs/dbraw/zinc/19/75/10/553197510.db2.gz XMAMXRICPKMTAR-XMMPIXPASA-N -1 1 502.592 6.332 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008996557 553197512 /nfs/dbraw/zinc/19/75/12/553197512.db2.gz XMAMXRICPKMTAR-XMMPIXPASA-N -1 1 502.592 6.332 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009007643 553198059 /nfs/dbraw/zinc/19/80/59/553198059.db2.gz GNUHQRMFHBFHJO-NRFANRHFSA-N -1 1 505.508 5.288 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000009007521 553198109 /nfs/dbraw/zinc/19/81/09/553198109.db2.gz ODKSXVSPCKEJCS-XMMPIXPASA-N -1 1 516.575 5.495 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009008519 553199000 /nfs/dbraw/zinc/19/90/00/553199000.db2.gz XKNIAFOCWAIRQH-XMMPIXPASA-N -1 1 502.592 6.503 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009008519 553199003 /nfs/dbraw/zinc/19/90/03/553199003.db2.gz XKNIAFOCWAIRQH-XMMPIXPASA-N -1 1 502.592 6.503 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009008613 553199084 /nfs/dbraw/zinc/19/90/84/553199084.db2.gz METGUHAPAYEERY-JOCHJYFZSA-N -1 1 520.563 5.397 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009041155 553202275 /nfs/dbraw/zinc/20/22/75/553202275.db2.gz FFRHBRRPVXZQNG-OAQYLSRUSA-N -1 1 524.570 5.339 50 30 KKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)sc1C ZINC000009041130 553202293 /nfs/dbraw/zinc/20/22/93/553202293.db2.gz SXUHVBXUZOTSBL-SFHVURJKSA-N -1 1 503.805 5.959 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009041836 553202397 /nfs/dbraw/zinc/20/23/97/553202397.db2.gz TVVKJSGPONRBEQ-QHCPKHFHSA-N -1 1 504.995 6.358 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009043564 553202879 /nfs/dbraw/zinc/20/28/79/553202879.db2.gz GRLWEANXIXANGQ-DEOSSOPVSA-N -1 1 500.576 5.795 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000009044879 553203389 /nfs/dbraw/zinc/20/33/89/553203389.db2.gz RYKZXAJIWQKOQX-NRFANRHFSA-N -1 1 514.987 5.222 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009046276 553203816 /nfs/dbraw/zinc/20/38/16/553203816.db2.gz JPXBQHJUXZAVMP-QHCPKHFHSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009046276 553203818 /nfs/dbraw/zinc/20/38/18/553203818.db2.gz JPXBQHJUXZAVMP-QHCPKHFHSA-N -1 1 504.539 5.544 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000009046491 553204004 /nfs/dbraw/zinc/20/40/04/553204004.db2.gz VWRWGNYJIZUHBG-XMMPIXPASA-N -1 1 516.575 5.495 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000009046491 553204005 /nfs/dbraw/zinc/20/40/05/553204005.db2.gz VWRWGNYJIZUHBG-XMMPIXPASA-N -1 1 516.575 5.495 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009066766 553206185 /nfs/dbraw/zinc/20/61/85/553206185.db2.gz VEFVYKHFALPGBG-XMMPIXPASA-N -1 1 516.575 5.413 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000009067197 553206343 /nfs/dbraw/zinc/20/63/43/553206343.db2.gz JOADRHRSTYFYRF-QHCPKHFHSA-N -1 1 518.566 5.852 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000009068478 553206662 /nfs/dbraw/zinc/20/66/62/553206662.db2.gz DQVXNIACAZIPAP-QFIPXVFZSA-N -1 1 511.043 6.502 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009069182 553206778 /nfs/dbraw/zinc/20/67/78/553206778.db2.gz YROKVZBIGWPCRJ-QFIPXVFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009069182 553206780 /nfs/dbraw/zinc/20/67/80/553206780.db2.gz YROKVZBIGWPCRJ-QFIPXVFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000009073050 553207027 /nfs/dbraw/zinc/20/70/27/553207027.db2.gz YDJASJWQYNHFKJ-JOCHJYFZSA-N -1 1 506.967 5.750 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009175789 553216151 /nfs/dbraw/zinc/21/61/51/553216151.db2.gz ULLRWUDIIJGLBZ-HSZRJFAPSA-N -1 1 504.539 5.626 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000009177802 553216327 /nfs/dbraw/zinc/21/63/27/553216327.db2.gz INRCZOCNDPHKGP-OAQYLSRUSA-N -1 1 505.393 6.150 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000009178022 553216589 /nfs/dbraw/zinc/21/65/89/553216589.db2.gz CWARXXXRFHGMBP-JOCHJYFZSA-N -1 1 509.414 7.003 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000009178022 553216590 /nfs/dbraw/zinc/21/65/90/553216590.db2.gz CWARXXXRFHGMBP-JOCHJYFZSA-N -1 1 509.414 7.003 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009186505 553217631 /nfs/dbraw/zinc/21/76/31/553217631.db2.gz DZQXUKULKMGASS-QFIPXVFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009186505 553217633 /nfs/dbraw/zinc/21/76/33/553217633.db2.gz DZQXUKULKMGASS-QFIPXVFZSA-N -1 1 501.520 5.304 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009237518 553225850 /nfs/dbraw/zinc/22/58/50/553225850.db2.gz SVBVLOGRBYENKX-DEOSSOPVSA-N -1 1 500.551 6.092 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009237518 553225851 /nfs/dbraw/zinc/22/58/51/553225851.db2.gz SVBVLOGRBYENKX-DEOSSOPVSA-N -1 1 500.551 6.092 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000009243706 553226886 /nfs/dbraw/zinc/22/68/86/553226886.db2.gz BYTKEMAZOVDQJD-XDHUDOTRSA-N -1 1 504.608 5.818 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009244140 553226988 /nfs/dbraw/zinc/22/69/88/553226988.db2.gz DJKFJSZJWQBRRF-FQEVSTJZSA-N -1 1 508.571 5.458 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009244140 553226991 /nfs/dbraw/zinc/22/69/91/553226991.db2.gz DJKFJSZJWQBRRF-FQEVSTJZSA-N -1 1 508.571 5.458 50 30 KKEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000009270366 553230253 /nfs/dbraw/zinc/23/02/53/553230253.db2.gz XQVROPNJVUWEAI-NHFXJNLRSA-N -1 1 506.780 5.169 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000009270691 553230497 /nfs/dbraw/zinc/23/04/97/553230497.db2.gz UKZSQNDIZDXEMW-NRFANRHFSA-N -1 1 511.372 5.526 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000009270691 553230499 /nfs/dbraw/zinc/23/04/99/553230499.db2.gz UKZSQNDIZDXEMW-NRFANRHFSA-N -1 1 511.372 5.526 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009271224 553230655 /nfs/dbraw/zinc/23/06/55/553230655.db2.gz BGPYXLCAVIZVRE-DEOSSOPVSA-N -1 1 516.550 5.792 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009273787 553232159 /nfs/dbraw/zinc/23/21/59/553232159.db2.gz VXHUSKUJVFZHNI-QHCPKHFHSA-N -1 1 520.563 5.397 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccnc3)ccc2O1 ZINC000009291564 553234626 /nfs/dbraw/zinc/23/46/26/553234626.db2.gz KKGLGKATUPPIHV-DMZKTXOQSA-N -1 1 503.967 5.451 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000009292582 553235080 /nfs/dbraw/zinc/23/50/80/553235080.db2.gz SERRJOYAMJLVNS-SHACYNPGSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000009292582 553235081 /nfs/dbraw/zinc/23/50/81/553235081.db2.gz SERRJOYAMJLVNS-SHACYNPGSA-N -1 1 516.550 5.550 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000009302047 553236204 /nfs/dbraw/zinc/23/62/04/553236204.db2.gz AFZXYLFVRZQWOH-QHCPKHFHSA-N -1 1 520.994 6.140 50 30 KKEAMM O=C([O-])c1cc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCCCC4)n3)o2)ccc1Cl ZINC000009311749 553239690 /nfs/dbraw/zinc/23/96/90/553239690.db2.gz AMTRPEFKUGRLBA-LQKURTRISA-N -1 1 517.977 5.663 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000009329486 553242501 /nfs/dbraw/zinc/24/25/01/553242501.db2.gz HNNJYIFHCVQULG-DGIBIBHMSA-N -1 1 502.379 5.260 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009339627 553243697 /nfs/dbraw/zinc/24/36/97/553243697.db2.gz ORFQSNSBZVXPPI-VWLOTQADSA-N -1 1 514.603 6.185 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000009350594 553245355 /nfs/dbraw/zinc/24/53/55/553245355.db2.gz GBMCEOGDLLQHRF-PUAOIOHZSA-N -1 1 512.587 5.720 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000009357407 553246899 /nfs/dbraw/zinc/24/68/99/553246899.db2.gz WBPOJCSCICRMLA-QFIPXVFZSA-N -1 1 501.432 5.645 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000009357405 553246911 /nfs/dbraw/zinc/24/69/11/553246911.db2.gz WBPOJCSCICRMLA-JOCHJYFZSA-N -1 1 501.432 5.645 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccc(O)cc1)c1ccccc1 ZINC000009357316 553246996 /nfs/dbraw/zinc/24/69/96/553246996.db2.gz BJXZYXRYEDKUGE-OAQYLSRUSA-N -1 1 501.589 5.319 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009358905 553247703 /nfs/dbraw/zinc/24/77/03/553247703.db2.gz HXNHKWPZMVCTRT-OYLFLEFRSA-N -1 1 500.551 5.850 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000009358693 553247761 /nfs/dbraw/zinc/24/77/61/553247761.db2.gz HWWRTYPEFIDGNN-ZAMGYDSWSA-N -1 1 504.514 5.681 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000009360287 553248471 /nfs/dbraw/zinc/24/84/71/553248471.db2.gz RCAJUSOUPHEVPI-QHCPKHFHSA-N -1 1 520.632 6.110 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000009360287 553248474 /nfs/dbraw/zinc/24/84/74/553248474.db2.gz RCAJUSOUPHEVPI-QHCPKHFHSA-N -1 1 520.632 6.110 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccs3)ccc2O1 ZINC000009403672 553255403 /nfs/dbraw/zinc/25/54/03/553255403.db2.gz LIGUEBHFSASPQI-GTJPDFRWSA-N -1 1 509.008 6.118 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000009412478 553257579 /nfs/dbraw/zinc/25/75/79/553257579.db2.gz ZHAVJIRSPJDGBY-PSLXWICFSA-N -1 1 518.616 5.863 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccncc2)o1 ZINC000009411978 553257608 /nfs/dbraw/zinc/25/76/08/553257608.db2.gz JNBCFGIUVWLQOZ-IBGZPJMESA-N -1 1 508.556 5.049 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009459800 553266897 /nfs/dbraw/zinc/26/68/97/553266897.db2.gz BZMBPRMDTKSKPJ-XMMPIXPASA-N -1 1 514.559 5.167 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009459801 553266909 /nfs/dbraw/zinc/26/69/09/553266909.db2.gz BZMBPRMDTKSKPJ-DEOSSOPVSA-N -1 1 514.559 5.167 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000009461108 553267395 /nfs/dbraw/zinc/26/73/95/553267395.db2.gz ZRTMNKUCVAVMFN-DEOSSOPVSA-N -1 1 517.006 6.467 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000009463623 553269156 /nfs/dbraw/zinc/26/91/56/553269156.db2.gz WXNXDQNVKMUPCX-XMMPIXPASA-N -1 1 500.551 5.953 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)ccc1O ZINC000009600900 553286211 /nfs/dbraw/zinc/28/62/11/553286211.db2.gz SAQRGKHYTDGLFS-JOCHJYFZSA-N -1 1 506.967 5.837 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)ccc1O ZINC000009600900 553286212 /nfs/dbraw/zinc/28/62/12/553286212.db2.gz SAQRGKHYTDGLFS-JOCHJYFZSA-N -1 1 506.967 5.837 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccnc2)cc1 ZINC000009600984 553286448 /nfs/dbraw/zinc/28/64/48/553286448.db2.gz FFJPCMOQWXRXQZ-WKRVVKTRSA-N -1 1 523.633 6.145 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc(C)cc4C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009608848 553287772 /nfs/dbraw/zinc/28/77/72/553287772.db2.gz OWWPQBFKBXNUOQ-DEOSSOPVSA-N -1 1 531.678 5.897 50 30 KKEAMM CCN(CC)c1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc1 ZINC000009780989 553307812 /nfs/dbraw/zinc/30/78/12/553307812.db2.gz UESDYIBDTQYSNL-QHCPKHFHSA-N -1 1 504.631 6.024 50 30 KKEAMM CCN(CC)c1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc1 ZINC000009781018 553307834 /nfs/dbraw/zinc/30/78/34/553307834.db2.gz IVHIKGSSXKMRFA-HSZRJFAPSA-N -1 1 521.086 6.539 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC(C)C)cc2)c1 ZINC000013553013 553470935 /nfs/dbraw/zinc/47/09/35/553470935.db2.gz YUWQSIFLCDEXMZ-VWLOTQADSA-N -1 1 514.603 6.183 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000013571762 553474145 /nfs/dbraw/zinc/47/41/45/553474145.db2.gz VPXNQFSYLZRSIP-NRFANRHFSA-N -1 1 522.554 5.033 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1 ZINC000016729520 553575629 /nfs/dbraw/zinc/57/56/29/553575629.db2.gz XWTAXIREUVLUAZ-JOCHJYFZSA-N -1 1 520.607 5.590 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016729749 553575991 /nfs/dbraw/zinc/57/59/91/553575991.db2.gz UZUKVNSHNBZMPL-QFIPXVFZSA-N -1 1 504.608 5.743 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732195 553577514 /nfs/dbraw/zinc/57/75/14/553577514.db2.gz TWEUBJAMCDYOIC-QFIPXVFZSA-N -1 1 506.580 5.234 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732195 553577516 /nfs/dbraw/zinc/57/75/16/553577516.db2.gz TWEUBJAMCDYOIC-QFIPXVFZSA-N -1 1 506.580 5.234 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000016732177 553577526 /nfs/dbraw/zinc/57/75/26/553577526.db2.gz CNRIAVNUAFDKNO-LJQANCHMSA-N -1 1 517.390 5.752 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccncc2)cc1 ZINC000016742004 553580051 /nfs/dbraw/zinc/58/00/51/553580051.db2.gz BSNGTCPDMQCYTL-NRFANRHFSA-N -1 1 516.604 5.017 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000016805435 553582802 /nfs/dbraw/zinc/58/28/02/553582802.db2.gz ISOKLQWNVCJHKE-OAQYLSRUSA-N -1 1 508.571 5.421 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000016805514 553583086 /nfs/dbraw/zinc/58/30/86/553583086.db2.gz XVEWMIFIMNHMQW-OAQYLSRUSA-N -1 1 506.555 5.333 50 30 KKEAMM O=C1CCCC2=C1[C@H](c1cccc(Br)c1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000017177774 553589867 /nfs/dbraw/zinc/58/98/67/553589867.db2.gz KHTDXQUKGHSXRB-IBGZPJMESA-N -1 1 512.404 5.941 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000017777944 553599636 /nfs/dbraw/zinc/59/96/36/553599636.db2.gz UKWMYKCAUUUUCA-HSZRJFAPSA-N -1 1 596.042 5.629 50 30 KKEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000018033892 553601848 /nfs/dbraw/zinc/60/18/48/553601848.db2.gz QJWJZTNUTYDFGW-SLQAJWMNSA-N -1 1 529.524 5.499 50 30 KKEAMM CC(C)c1ccc2c(c1)C(=NNc1ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc1[N+](=O)[O-])C(=O)N2 ZINC000025388526 553806777 /nfs/dbraw/zinc/80/67/77/553806777.db2.gz BJHKTAAVJXGXPF-UHFFFAOYSA-N -1 1 513.963 5.590 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097952231 553814043 /nfs/dbraw/zinc/81/40/43/553814043.db2.gz IXWPOVFFVKJTNE-SANMLTNESA-N -1 1 542.613 5.970 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097952240 553814054 /nfs/dbraw/zinc/81/40/54/553814054.db2.gz JWQGZERCBZIDNK-XMMPIXPASA-N -1 1 529.574 5.949 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097952240 553814057 /nfs/dbraw/zinc/81/40/57/553814057.db2.gz JWQGZERCBZIDNK-XMMPIXPASA-N -1 1 529.574 5.949 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952244 553814229 /nfs/dbraw/zinc/81/42/29/553814229.db2.gz KZKZGEAIESNBER-RUZDIDTESA-N -1 1 533.049 7.084 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952244 553814230 /nfs/dbraw/zinc/81/42/30/553814230.db2.gz KZKZGEAIESNBER-RUZDIDTESA-N -1 1 533.049 7.084 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000097952282 553814306 /nfs/dbraw/zinc/81/43/06/553814306.db2.gz ODTFGXBFZRAKGI-VWLOTQADSA-N -1 1 533.049 7.082 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000097952282 553814309 /nfs/dbraw/zinc/81/43/09/553814309.db2.gz ODTFGXBFZRAKGI-VWLOTQADSA-N -1 1 533.049 7.082 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097952277 553814537 /nfs/dbraw/zinc/81/45/37/553814537.db2.gz DJMKUHYIKDHNGL-AREMUKBSSA-N -1 1 528.630 6.493 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952292 553814847 /nfs/dbraw/zinc/81/48/47/553814847.db2.gz OLKSEXBDGNLRJW-QHCPKHFHSA-N -1 1 549.446 6.413 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952292 553814850 /nfs/dbraw/zinc/81/48/50/553814850.db2.gz OLKSEXBDGNLRJW-QHCPKHFHSA-N -1 1 549.446 6.413 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097952394 553815403 /nfs/dbraw/zinc/81/54/03/553815403.db2.gz AMYANVBAHHNGTE-SANMLTNESA-N -1 1 528.630 6.493 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000097952538 553816635 /nfs/dbraw/zinc/81/66/35/553816635.db2.gz BAEDKALXBVIVJU-HSZRJFAPSA-N -1 1 549.446 6.467 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC(C)C)cc2)cc1C ZINC000097952541 553816693 /nfs/dbraw/zinc/81/66/93/553816693.db2.gz ZTQPLFQBUGFORM-SANMLTNESA-N -1 1 528.630 6.492 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097952953 553818153 /nfs/dbraw/zinc/81/81/53/553818153.db2.gz QHYMFADKHGJUSJ-AREMUKBSSA-N -1 1 542.613 5.982 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955020 553827510 /nfs/dbraw/zinc/82/75/10/553827510.db2.gz LACSRIVUSLOSCQ-UULLZXFKSA-N -1 1 588.657 6.729 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955020 553827511 /nfs/dbraw/zinc/82/75/11/553827511.db2.gz LACSRIVUSLOSCQ-UULLZXFKSA-N -1 1 588.657 6.729 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955044 553828005 /nfs/dbraw/zinc/82/80/05/553828005.db2.gz VCPAFSTVRCEUTE-BZQUYTCOSA-N -1 1 528.586 5.425 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955042 553828040 /nfs/dbraw/zinc/82/80/40/553828040.db2.gz VCPAFSTVRCEUTE-MQNRADLISA-N -1 1 528.586 5.425 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097955093 553828313 /nfs/dbraw/zinc/82/83/13/553828313.db2.gz KCWSQGLZNSUALN-ZLOXQWCVSA-N -1 1 565.420 6.304 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000097955098 553828771 /nfs/dbraw/zinc/82/87/71/553828771.db2.gz TZWIOFFRPCDVQH-JCQPUDPBSA-N -1 1 537.424 6.709 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000097955101 553828847 /nfs/dbraw/zinc/82/88/47/553828847.db2.gz WGCVCFRTSUQHMQ-RKOGDMNLSA-N -1 1 572.639 5.906 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097955137 553829065 /nfs/dbraw/zinc/82/90/65/553829065.db2.gz MVMDIRUTSOXQNM-YRVHBCJASA-N -1 1 602.684 6.975 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097955137 553829067 /nfs/dbraw/zinc/82/90/67/553829067.db2.gz MVMDIRUTSOXQNM-YRVHBCJASA-N -1 1 602.684 6.975 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000097955145 553829077 /nfs/dbraw/zinc/82/90/77/553829077.db2.gz PKIBAAPQKOEGNY-JCQPUDPBSA-N -1 1 520.969 6.195 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955273 553830545 /nfs/dbraw/zinc/83/05/45/553830545.db2.gz XFSIUCDLKCCTKI-UULLZXFKSA-N -1 1 586.641 6.505 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955273 553830547 /nfs/dbraw/zinc/83/05/47/553830547.db2.gz XFSIUCDLKCCTKI-UULLZXFKSA-N -1 1 586.641 6.505 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955261 553830642 /nfs/dbraw/zinc/83/06/42/553830642.db2.gz FSWZYYONRZLUSZ-DNOBIOAJSA-N -1 1 538.625 6.276 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955295 553830986 /nfs/dbraw/zinc/83/09/86/553830986.db2.gz XIKOBSVLTLOWBK-WGDIFIGCSA-N -1 1 526.614 6.110 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000027529812 553831579 /nfs/dbraw/zinc/83/15/79/553831579.db2.gz RZABXKTUVMYLIN-CMJOXMDJSA-N -1 1 505.596 5.132 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000027529812 553831583 /nfs/dbraw/zinc/83/15/83/553831583.db2.gz RZABXKTUVMYLIN-CMJOXMDJSA-N -1 1 505.596 5.132 50 30 KKEAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccccc1C#N ZINC000027531856 553832042 /nfs/dbraw/zinc/83/20/42/553832042.db2.gz VMDDKXWFWGNPGO-LZYBPNLTSA-N -1 1 508.362 5.080 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955673 553832782 /nfs/dbraw/zinc/83/27/82/553832782.db2.gz OIFLNOFYRNDDCH-HPGBDJQBSA-N -1 1 588.657 6.729 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955673 553832784 /nfs/dbraw/zinc/83/27/84/553832784.db2.gz OIFLNOFYRNDDCH-HPGBDJQBSA-N -1 1 588.657 6.729 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955669 553832790 /nfs/dbraw/zinc/83/27/90/553832790.db2.gz OZCGVPFPLKUTKR-CLYVBNDRSA-N -1 1 540.641 6.418 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000097955738 553833622 /nfs/dbraw/zinc/83/36/22/553833622.db2.gz UPOYRDYLGPRMFH-RCDICMHDSA-N -1 1 534.565 5.040 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(CC)cc3)sc2c1 ZINC000097955763 553833940 /nfs/dbraw/zinc/83/39/40/553833940.db2.gz BJMZJEDYOKHQIT-CRYYWNKWSA-N -1 1 540.641 6.364 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097955765 553833966 /nfs/dbraw/zinc/83/39/66/553833966.db2.gz SFSMCEZFUIKMPJ-HKBQPEDESA-N -1 1 644.746 7.217 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097955765 553833970 /nfs/dbraw/zinc/83/39/70/553833970.db2.gz SFSMCEZFUIKMPJ-HKBQPEDESA-N -1 1 644.746 7.217 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097955836 553834179 /nfs/dbraw/zinc/83/41/79/553834179.db2.gz JTRKYSNNLOICRC-VWLOTQADSA-N -1 1 526.570 5.276 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000097955819 553834213 /nfs/dbraw/zinc/83/42/13/553834213.db2.gz AEUUSYFXXRZTGH-AREMUKBSSA-N -1 1 526.614 6.212 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000097956804 553841813 /nfs/dbraw/zinc/84/18/13/553841813.db2.gz SVFFIBAJYFKRML-FQEVSTJZSA-N -1 1 526.998 5.382 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956807 553841964 /nfs/dbraw/zinc/84/19/64/553841964.db2.gz FVTKYUWUKGMJGG-RUZDIDTESA-N -1 1 570.623 6.130 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccccc2OCC)nc1C ZINC000097956859 553842672 /nfs/dbraw/zinc/84/26/72/553842672.db2.gz LQHWZFXDQMQUTG-HSZRJFAPSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OCC)nc1C ZINC000097956859 553842674 /nfs/dbraw/zinc/84/26/74/553842674.db2.gz LQHWZFXDQMQUTG-HSZRJFAPSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000097956844 553842706 /nfs/dbraw/zinc/84/27/06/553842706.db2.gz FPNIMUNAYMERPG-HSZRJFAPSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000097956844 553842708 /nfs/dbraw/zinc/84/27/08/553842708.db2.gz FPNIMUNAYMERPG-HSZRJFAPSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000097956862 553842721 /nfs/dbraw/zinc/84/27/21/553842721.db2.gz FFTWLGZPWPGMRA-QHCPKHFHSA-N -1 1 548.592 5.590 50 30 KKEAMM [O-]c1c(Br)cc(Br)cc1/C=N/CC(O)C/N=C/c1cc(Br)cc(Br)c1O ZINC000097965291 553904149 /nfs/dbraw/zinc/90/41/49/553904149.db2.gz BMNHEHPCQYUJPM-WFEWZNOJSA-N -1 1 613.926 5.047 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097967276 553916158 /nfs/dbraw/zinc/91/61/58/553916158.db2.gz UGGMAUWYQQHSKB-DLUDVSRJSA-N -1 1 581.477 7.108 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967315 553916707 /nfs/dbraw/zinc/91/67/07/553916707.db2.gz CHMVSBHKVCKRGA-BGOLNKOXSA-N -1 1 612.748 7.597 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000097967324 553916750 /nfs/dbraw/zinc/91/67/50/553916750.db2.gz QRUCWGBDRFNKLQ-NPMABZOXSA-N -1 1 565.420 6.304 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097967358 553917186 /nfs/dbraw/zinc/91/71/86/553917186.db2.gz LTYMDGVBYOXIHV-CHAGWJKLSA-N -1 1 572.639 5.819 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097967358 553917188 /nfs/dbraw/zinc/91/71/88/553917188.db2.gz LTYMDGVBYOXIHV-CHAGWJKLSA-N -1 1 572.639 5.819 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967366 553917628 /nfs/dbraw/zinc/91/76/28/553917628.db2.gz OLYIFRFKODBTJX-LDLUVENISA-N -1 1 600.693 6.599 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967490 553919276 /nfs/dbraw/zinc/91/92/76/553919276.db2.gz TWOHJPNVIDZPPN-QTEAWJPNSA-N -1 1 614.720 6.989 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000097967497 553919495 /nfs/dbraw/zinc/91/94/95/553919495.db2.gz AHTBQTNYGQAKDN-SMSORMJASA-N -1 1 641.815 7.670 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097967562 553920132 /nfs/dbraw/zinc/92/01/32/553920132.db2.gz JKGKWCYTDKLGBW-HKBQPEDESA-N -1 1 644.746 7.073 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097967562 553920134 /nfs/dbraw/zinc/92/01/34/553920134.db2.gz JKGKWCYTDKLGBW-HKBQPEDESA-N -1 1 644.746 7.073 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967580 553920537 /nfs/dbraw/zinc/92/05/37/553920537.db2.gz XQHJSVUEZFVOCF-QHCPKHFHSA-N -1 1 579.428 5.622 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967598 553920566 /nfs/dbraw/zinc/92/05/66/553920566.db2.gz LMJKMAVCZXWNGS-PLTNMMHCSA-N -1 1 628.747 7.379 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097967653 553921473 /nfs/dbraw/zinc/92/14/73/553921473.db2.gz LZRYSKVQLKYAJP-HFJWLAOPSA-N -1 1 585.707 6.254 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000097967690 553921730 /nfs/dbraw/zinc/92/17/30/553921730.db2.gz DHPUARWSFKWTAH-TWEZTRHFSA-N -1 1 741.891 9.068 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097967683 553921841 /nfs/dbraw/zinc/92/18/41/553921841.db2.gz WPEBPSGZKKPAGL-PMERELPUSA-N -1 1 630.719 6.683 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967704 553921847 /nfs/dbraw/zinc/92/18/47/553921847.db2.gz AUDIOSAGIXFCJF-ROTAYESASA-N -1 1 706.286 8.558 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967718 553922143 /nfs/dbraw/zinc/92/21/43/553922143.db2.gz AKPYIBNLIPDZIL-WENCNXQZSA-N -1 1 598.721 7.289 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097967745 553922756 /nfs/dbraw/zinc/92/27/56/553922756.db2.gz CUMUMGYDMBJQRI-HMILPKGGSA-N -1 1 554.668 6.890 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097967779 553923018 /nfs/dbraw/zinc/92/30/18/553923018.db2.gz ANYVRNIVOJHQBM-XSJBNIOMSA-N -1 1 662.764 7.779 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967787 553923083 /nfs/dbraw/zinc/92/30/83/553923083.db2.gz PYDWLZXQVPBKTC-XDBZFTIUSA-N -1 1 583.666 5.931 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967787 553923087 /nfs/dbraw/zinc/92/30/87/553923087.db2.gz PYDWLZXQVPBKTC-XDBZFTIUSA-N -1 1 583.666 5.931 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967816 553923541 /nfs/dbraw/zinc/92/35/41/553923541.db2.gz XQBAFDRHSSGQHK-GEFUHLBYSA-N -1 1 604.684 6.990 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097967828 553923565 /nfs/dbraw/zinc/92/35/65/553923565.db2.gz IDQIMHRJIATBES-OWJWWREXSA-N -1 1 577.634 6.215 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967799 553923571 /nfs/dbraw/zinc/92/35/71/553923571.db2.gz XXUBZLYDLVEBPR-XBBWARJSSA-N -1 1 584.694 6.980 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967811 553923611 /nfs/dbraw/zinc/92/36/11/553923611.db2.gz NJEQMFHQUVQSEO-YRVHBCJASA-N -1 1 619.139 7.490 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000097967854 553923923 /nfs/dbraw/zinc/92/39/23/553923923.db2.gz NXCVWUZIHWXKHL-YTTGMZPUSA-N -1 1 693.803 7.362 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097967847 553923946 /nfs/dbraw/zinc/92/39/46/553923946.db2.gz PJZQYUAPKYSNFC-CHAGWJKLSA-N -1 1 574.630 6.339 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097967847 553923947 /nfs/dbraw/zinc/92/39/47/553923947.db2.gz PJZQYUAPKYSNFC-CHAGWJKLSA-N -1 1 574.630 6.339 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967843 553924014 /nfs/dbraw/zinc/92/40/14/553924014.db2.gz BZMSPPBTQPMMFS-KWMCUTETSA-N -1 1 570.667 6.590 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097967845 553924041 /nfs/dbraw/zinc/92/40/41/553924041.db2.gz PJZQYUAPKYSNFC-RKOGDMNLSA-N -1 1 574.630 6.339 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097967845 553924042 /nfs/dbraw/zinc/92/40/42/553924042.db2.gz PJZQYUAPKYSNFC-RKOGDMNLSA-N -1 1 574.630 6.339 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967851 553924138 /nfs/dbraw/zinc/92/41/38/553924138.db2.gz VUOHDBJGJHSMNN-LDLUVENISA-N -1 1 712.677 8.431 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967865 553924368 /nfs/dbraw/zinc/92/43/68/553924368.db2.gz ZDPFFHAHSJRRKP-DEOSSOPVSA-N -1 1 591.642 5.532 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967888 553924381 /nfs/dbraw/zinc/92/43/81/553924381.db2.gz RRCSXHKNYCYNCU-RUZDIDTESA-N -1 1 578.643 5.396 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967880 553924467 /nfs/dbraw/zinc/92/44/67/553924467.db2.gz UIZNVBVRPNRAGH-AREMUKBSSA-N -1 1 617.680 6.088 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967878 553924563 /nfs/dbraw/zinc/92/45/63/553924563.db2.gz HOFFWJVFEFIQKB-JGCGQSQUSA-N -1 1 695.819 7.725 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967923 553925444 /nfs/dbraw/zinc/92/54/44/553925444.db2.gz NNYRPFRHBMAJDH-SSEXGKCCSA-N -1 1 708.258 8.006 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097967930 553925488 /nfs/dbraw/zinc/92/54/88/553925488.db2.gz XZKKJLVXNREWMC-UUWRZZSWSA-N -1 1 699.810 8.117 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967929 553925510 /nfs/dbraw/zinc/92/55/10/553925510.db2.gz MLRNZJPIISMKME-LJAQVGFWSA-N -1 1 694.231 7.616 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097967983 553925665 /nfs/dbraw/zinc/92/56/65/553925665.db2.gz TZAWULTVEYQWLQ-MUUNZHRXSA-N -1 1 664.205 7.607 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967953 553925797 /nfs/dbraw/zinc/92/57/97/553925797.db2.gz NOQBVTPNXLWNOH-SONOPUAISA-N -1 1 678.232 7.778 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000097967997 553926151 /nfs/dbraw/zinc/92/61/51/553926151.db2.gz QLPDDCKTSIZZEL-HKBQPEDESA-N -1 1 663.777 7.272 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000097968008 553926211 /nfs/dbraw/zinc/92/62/11/553926211.db2.gz ZSLBLIASEMFZGN-BHVANESWSA-N -1 1 743.863 8.515 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097968081 553927317 /nfs/dbraw/zinc/92/73/17/553927317.db2.gz FXUHWXCZLQFBCA-SANMLTNESA-N -1 1 603.697 6.647 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968107 553927954 /nfs/dbraw/zinc/92/79/54/553927954.db2.gz AULUGEMZVSFNTB-OYLFLEFRSA-N -1 1 594.089 6.729 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000097968140 553928296 /nfs/dbraw/zinc/92/82/96/553928296.db2.gz MYZDVXFCBJTFIY-OYLFLEFRSA-N -1 1 592.098 6.296 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968137 553928306 /nfs/dbraw/zinc/92/83/06/553928306.db2.gz WDSYBBCGYMQJDO-NDEPHWFRSA-N -1 1 647.750 7.093 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097968180 553928663 /nfs/dbraw/zinc/92/86/63/553928663.db2.gz ZZQLHPFTIJGJIS-SSEXGKCCSA-N -1 1 667.740 7.103 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097968181 553928761 /nfs/dbraw/zinc/92/87/61/553928761.db2.gz ZZQLHPFTIJGJIS-PMERELPUSA-N -1 1 667.740 7.103 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968224 553929107 /nfs/dbraw/zinc/92/91/07/553929107.db2.gz GIRPCHSRKHFDSK-MUUNZHRXSA-N -1 1 664.205 7.607 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000097968221 553929124 /nfs/dbraw/zinc/92/91/24/553929124.db2.gz GXTGLEXZEVHBKH-YTTGMZPUSA-N -1 1 711.793 7.501 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968227 553929229 /nfs/dbraw/zinc/92/92/29/553929229.db2.gz SKHLCEVCIHEOGY-SOKVYYICSA-N -1 1 668.624 8.032 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000097968259 553929512 /nfs/dbraw/zinc/92/95/12/553929512.db2.gz HMHRHUWNNALJLP-YTTGMZPUSA-N -1 1 728.248 8.016 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097968235 553929572 /nfs/dbraw/zinc/92/95/72/553929572.db2.gz HXTMSVDTAFEYJU-DEOSSOPVSA-N -1 1 636.107 5.825 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968341 553930662 /nfs/dbraw/zinc/93/06/62/553930662.db2.gz SQWKXVLEBPNVIA-WJOKGBTCSA-N -1 1 687.840 7.661 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968406 553931965 /nfs/dbraw/zinc/93/19/65/553931965.db2.gz ZFNCNKOWNWQFCI-SSEXGKCCSA-N -1 1 673.813 7.352 50 30 KKEAMM CCCCCCCCN1C(=O)N(c2cccc(Cl)c2)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000033355071 553932891 /nfs/dbraw/zinc/93/28/91/553932891.db2.gz NSSVDQKAXKUILJ-HSZRJFAPSA-N -1 1 521.489 7.624 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969122 553936867 /nfs/dbraw/zinc/93/68/67/553936867.db2.gz VWHFSYNIMIFKAS-BGOLNKOXSA-N -1 1 682.223 8.169 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097969175 553937474 /nfs/dbraw/zinc/93/74/74/553937474.db2.gz SKRMMPJOKWQXRQ-ZAMGYDSWSA-N -1 1 581.875 6.819 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097969185 553937687 /nfs/dbraw/zinc/93/76/87/553937687.db2.gz SOYJOHFNSKEMJZ-SOKVYYICSA-N -1 1 556.640 6.200 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969200 553937832 /nfs/dbraw/zinc/93/78/32/553937832.db2.gz WHALWRZCWJRFPQ-JPZYQRIQSA-N -1 1 647.778 7.516 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000097969270 553938743 /nfs/dbraw/zinc/93/87/43/553938743.db2.gz DHZHZEHZXHOIBO-HHHXNRCGSA-N -1 1 598.652 6.604 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969338 553939697 /nfs/dbraw/zinc/93/96/97/553939697.db2.gz WHQXNSFCKMKFMA-XHCCPWGMSA-N -1 1 597.718 6.502 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097969321 553939797 /nfs/dbraw/zinc/93/97/97/553939797.db2.gz UFPNYWSDGXRUHU-YTTGMZPUSA-N -1 1 660.748 8.091 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000097969352 553940147 /nfs/dbraw/zinc/94/01/47/553940147.db2.gz VMQLPWCVMRDZBD-DAOPMYJZSA-N -1 1 555.414 6.849 50 30 KKEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969367 553940157 /nfs/dbraw/zinc/94/01/57/553940157.db2.gz ZCAPDYOJLPDYGN-KEEVHDRGSA-N -1 1 635.767 7.489 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969367 553940160 /nfs/dbraw/zinc/94/01/60/553940160.db2.gz ZCAPDYOJLPDYGN-KEEVHDRGSA-N -1 1 635.767 7.489 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097969342 553940219 /nfs/dbraw/zinc/94/02/19/553940219.db2.gz RVFBZUUSSBOFIF-BZQUYTCOSA-N -1 1 591.483 6.564 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000097969596 553942440 /nfs/dbraw/zinc/94/24/40/553942440.db2.gz GOOTUXARKNMTAR-CRICUBBOSA-N -1 1 572.639 5.465 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000097969596 553942444 /nfs/dbraw/zinc/94/24/44/553942444.db2.gz GOOTUXARKNMTAR-CRICUBBOSA-N -1 1 572.639 5.465 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969581 553942452 /nfs/dbraw/zinc/94/24/52/553942452.db2.gz VNRUWBAMHCCOSQ-APYJYERMSA-N -1 1 626.775 7.987 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969607 553943002 /nfs/dbraw/zinc/94/30/02/553943002.db2.gz WWYFWOHMVRIIKD-XDBZFTIUSA-N -1 1 568.651 6.366 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000097969661 553943366 /nfs/dbraw/zinc/94/33/66/553943366.db2.gz SKXFWEJXRCDMKE-CLYVBNDRSA-N -1 1 620.724 6.168 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000097969661 553943369 /nfs/dbraw/zinc/94/33/69/553943369.db2.gz SKXFWEJXRCDMKE-CLYVBNDRSA-N -1 1 620.724 6.168 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969657 553943441 /nfs/dbraw/zinc/94/34/41/553943441.db2.gz PFNATTCVDSWBML-KEEVHDRGSA-N -1 1 596.705 6.983 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097969715 553944148 /nfs/dbraw/zinc/94/41/48/553944148.db2.gz UQRHJUPLFOVOGR-CRYYWNKWSA-N -1 1 556.640 6.118 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969734 553944168 /nfs/dbraw/zinc/94/41/68/553944168.db2.gz KCRJCYIUCXXRLV-ADXZGYQBSA-N -1 1 659.761 7.039 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969752 553944446 /nfs/dbraw/zinc/94/44/46/553944446.db2.gz ZRFJLQRLQWVIBJ-JCOAXYOVSA-N -1 1 588.685 7.290 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccccc2)nc1C ZINC000097969764 553944721 /nfs/dbraw/zinc/94/47/21/553944721.db2.gz OAQPICBQFFJHNV-HHHXNRCGSA-N -1 1 580.662 6.465 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccccc2)nc1C ZINC000097969764 553944722 /nfs/dbraw/zinc/94/47/22/553944722.db2.gz OAQPICBQFFJHNV-HHHXNRCGSA-N -1 1 580.662 6.465 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097969765 553944745 /nfs/dbraw/zinc/94/47/45/553944745.db2.gz OLPMHUOXIYCYMM-QTEAWJPNSA-N -1 1 590.657 7.204 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969755 553944753 /nfs/dbraw/zinc/94/47/53/553944753.db2.gz ZRFJLQRLQWVIBJ-UKPGIYTDSA-N -1 1 588.685 7.290 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969802 553945057 /nfs/dbraw/zinc/94/50/57/553945057.db2.gz AMHBIEZHIKSDKD-KEEVHDRGSA-N -1 1 675.804 7.653 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097969838 553945609 /nfs/dbraw/zinc/94/56/09/553945609.db2.gz KXGYQRZJBARZSK-XDBZFTIUSA-N -1 1 682.651 8.422 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097969835 553945615 /nfs/dbraw/zinc/94/56/15/553945615.db2.gz CKWHABROIRLQIV-QLXKLKPCSA-N -1 1 604.681 5.698 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097969835 553945617 /nfs/dbraw/zinc/94/56/17/553945617.db2.gz CKWHABROIRLQIV-QLXKLKPCSA-N -1 1 604.681 5.698 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097969842 553946002 /nfs/dbraw/zinc/94/60/02/553946002.db2.gz WKCNMFXHARNBTE-IVCQMTBJSA-N -1 1 592.670 5.532 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097969842 553946005 /nfs/dbraw/zinc/94/60/05/553946005.db2.gz WKCNMFXHARNBTE-IVCQMTBJSA-N -1 1 592.670 5.532 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097969877 553946583 /nfs/dbraw/zinc/94/65/83/553946583.db2.gz KXDXKEJYRGLENW-QUGAMOGWSA-N -1 1 606.697 5.922 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969919 553946823 /nfs/dbraw/zinc/94/68/23/553946823.db2.gz DVIDBKNAHDZCTD-HMILPKGGSA-N -1 1 632.735 6.478 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969919 553946826 /nfs/dbraw/zinc/94/68/26/553946826.db2.gz DVIDBKNAHDZCTD-HMILPKGGSA-N -1 1 632.735 6.478 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969910 553946857 /nfs/dbraw/zinc/94/68/57/553946857.db2.gz FGZQKCDTOTUZRF-BGOLNKOXSA-N -1 1 665.768 7.655 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097969902 553946869 /nfs/dbraw/zinc/94/68/69/553946869.db2.gz PZTKHLNGNIMOAY-ADSBAMQRSA-N -1 1 592.648 7.121 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097969902 553946870 /nfs/dbraw/zinc/94/68/70/553946870.db2.gz PZTKHLNGNIMOAY-ADSBAMQRSA-N -1 1 592.648 7.121 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097969930 553947424 /nfs/dbraw/zinc/94/74/24/553947424.db2.gz RNNWUVCNSWVOAV-JBEBIEQOSA-N -1 1 561.015 5.843 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969984 553947663 /nfs/dbraw/zinc/94/76/63/553947663.db2.gz QYCCUQNGZKWEFR-MNAQKMTRSA-N -1 1 642.774 7.769 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000097970006 553948282 /nfs/dbraw/zinc/94/82/82/553948282.db2.gz KQJRBKGRWIEQPM-GYCJOSAFSA-N -1 1 560.628 5.299 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000097970006 553948284 /nfs/dbraw/zinc/94/82/84/553948284.db2.gz KQJRBKGRWIEQPM-GYCJOSAFSA-N -1 1 560.628 5.299 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970041 553948403 /nfs/dbraw/zinc/94/84/03/553948403.db2.gz FFDKEYQNLJXYEG-WRGVRERRSA-N -1 1 598.721 7.370 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000097970052 553948484 /nfs/dbraw/zinc/94/84/84/553948484.db2.gz PYXPWTNMGLEOJT-ULKXQASOSA-N -1 1 726.276 8.568 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970043 553948624 /nfs/dbraw/zinc/94/86/24/553948624.db2.gz FFDKEYQNLJXYEG-KEEVHDRGSA-N -1 1 598.721 7.370 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097970084 553948993 /nfs/dbraw/zinc/94/89/93/553948993.db2.gz NTIWBJYMIOKGIL-DNOBIOAJSA-N -1 1 634.179 7.379 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097970082 553949080 /nfs/dbraw/zinc/94/90/80/553949080.db2.gz NTIWBJYMIOKGIL-XRHLQHRESA-N -1 1 634.179 7.379 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000097970054 553949088 /nfs/dbraw/zinc/94/90/88/553949088.db2.gz PYXPWTNMGLEOJT-DHYKOVJISA-N -1 1 726.276 8.568 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970106 553949470 /nfs/dbraw/zinc/94/94/70/553949470.db2.gz BLFUFJWFKVNPKW-LJAQVGFWSA-N -1 1 600.693 6.674 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970106 553949473 /nfs/dbraw/zinc/94/94/73/553949473.db2.gz BLFUFJWFKVNPKW-LJAQVGFWSA-N -1 1 600.693 6.674 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970092 553949506 /nfs/dbraw/zinc/94/95/06/553949506.db2.gz ZQCDVDKJXAEKPK-ROTAYESASA-N -1 1 612.748 7.535 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097970118 553949895 /nfs/dbraw/zinc/94/98/95/553949895.db2.gz WKGOUMMXCRKLTE-PVPMGCCUSA-N -1 1 588.638 5.437 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097970118 553949897 /nfs/dbraw/zinc/94/98/97/553949897.db2.gz WKGOUMMXCRKLTE-PVPMGCCUSA-N -1 1 588.638 5.437 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970142 553950003 /nfs/dbraw/zinc/95/00/03/553950003.db2.gz IHLFPWCEMTYDJB-JMQGSBJISA-N -1 1 570.667 6.427 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970197 553950873 /nfs/dbraw/zinc/95/08/73/553950873.db2.gz UQNYJGMXKNFWLD-BGOLNKOXSA-N -1 1 689.831 8.044 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097970208 553950885 /nfs/dbraw/zinc/95/08/85/553950885.db2.gz TZUOXWWBQWPETP-DHYKOVJISA-N -1 1 632.738 7.689 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970229 553951107 /nfs/dbraw/zinc/95/11/07/553951107.db2.gz KUJPFCDOETZZLO-KCWXNJEJSA-N -1 1 627.788 7.362 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970269 553951549 /nfs/dbraw/zinc/95/15/49/553951549.db2.gz FXEUSOROWBRCKS-UPCLLVRISA-N -1 1 562.644 5.523 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970269 553951552 /nfs/dbraw/zinc/95/15/52/553951552.db2.gz FXEUSOROWBRCKS-UPCLLVRISA-N -1 1 562.644 5.523 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970356 553952873 /nfs/dbraw/zinc/95/28/73/553952873.db2.gz FEDSZVVEADCJKH-DNOBIOAJSA-N -1 1 601.725 7.199 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970356 553952875 /nfs/dbraw/zinc/95/28/75/553952875.db2.gz FEDSZVVEADCJKH-DNOBIOAJSA-N -1 1 601.725 7.199 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970353 553952953 /nfs/dbraw/zinc/95/29/53/553952953.db2.gz SNEZQPHPIPIDLK-SANMLTNESA-N -1 1 558.612 5.648 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970353 553952956 /nfs/dbraw/zinc/95/29/56/553952956.db2.gz SNEZQPHPIPIDLK-SANMLTNESA-N -1 1 558.612 5.648 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970415 553953618 /nfs/dbraw/zinc/95/36/18/553953618.db2.gz UYTIXVIHQMTKSH-MYUZEXMDSA-N -1 1 618.180 7.714 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970415 553953621 /nfs/dbraw/zinc/95/36/21/553953621.db2.gz UYTIXVIHQMTKSH-MYUZEXMDSA-N -1 1 618.180 7.714 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970421 553953672 /nfs/dbraw/zinc/95/36/72/553953672.db2.gz XUDSBENVHAIAHX-DMZKTXOQSA-N -1 1 641.496 5.377 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097970409 553953725 /nfs/dbraw/zinc/95/37/25/553953725.db2.gz KZIHFEIHDFKNLJ-DFXYEROKSA-N -1 1 657.814 7.514 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000097970435 553954040 /nfs/dbraw/zinc/95/40/40/553954040.db2.gz PPYUXVQQZAKLRR-SGANQWHYSA-N -1 1 621.509 6.496 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097970432 553954199 /nfs/dbraw/zinc/95/41/99/553954199.db2.gz HWJRXJRFVWQPMP-RKNYENMMSA-N -1 1 567.450 6.718 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970499 553955015 /nfs/dbraw/zinc/95/50/15/553955015.db2.gz GLMUQGRYQABKGF-SSOJOUAXSA-N -1 1 576.671 5.769 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970499 553955019 /nfs/dbraw/zinc/95/50/19/553955019.db2.gz GLMUQGRYQABKGF-SSOJOUAXSA-N -1 1 576.671 5.769 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970522 553955373 /nfs/dbraw/zinc/95/53/73/553955373.db2.gz ZOZJOXPVHOSPKB-OLILMLBXSA-N -1 1 622.699 6.480 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970522 553955377 /nfs/dbraw/zinc/95/53/77/553955377.db2.gz ZOZJOXPVHOSPKB-OLILMLBXSA-N -1 1 622.699 6.480 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970525 553955491 /nfs/dbraw/zinc/95/54/91/553955491.db2.gz QXKHCNZXMLNJDA-HFJWLAOPSA-N -1 1 585.707 6.335 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970526 553955580 /nfs/dbraw/zinc/95/55/80/553955580.db2.gz QXKHCNZXMLNJDA-QYBDOPJKSA-N -1 1 585.707 6.335 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970563 553955858 /nfs/dbraw/zinc/95/58/58/553955858.db2.gz GZRSESOBCJBNCF-BGOLNKOXSA-N -1 1 706.286 8.558 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097970605 553956345 /nfs/dbraw/zinc/95/63/45/553956345.db2.gz CJSBRYRZCMCVEJ-OYLFLEFRSA-N -1 1 610.544 7.244 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970594 553956379 /nfs/dbraw/zinc/95/63/79/553956379.db2.gz LKRAGZFDSDNDEA-ROTAYESASA-N -1 1 612.748 7.597 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097970608 553956451 /nfs/dbraw/zinc/95/64/51/553956451.db2.gz DPQXPCMMJSXXTO-LJAQVGFWSA-N -1 1 616.692 6.437 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097970608 553956453 /nfs/dbraw/zinc/95/64/53/553956453.db2.gz DPQXPCMMJSXXTO-LJAQVGFWSA-N -1 1 616.692 6.437 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097970656 553957068 /nfs/dbraw/zinc/95/70/68/553957068.db2.gz ZGJSBRDOXJCQBQ-NDEPHWFRSA-N -1 1 610.732 7.206 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970648 553957185 /nfs/dbraw/zinc/95/71/85/553957185.db2.gz FPQWFEQPZUUKFO-ACSYHNTCSA-N -1 1 645.778 7.645 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097970660 553957222 /nfs/dbraw/zinc/95/72/22/553957222.db2.gz PXYVXUHYEVJBPG-GKVSMKOHSA-N -1 1 558.656 6.024 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000097970689 553957453 /nfs/dbraw/zinc/95/74/53/553957453.db2.gz YTBXSWFUEPUAKW-WJOKGBTCSA-N -1 1 604.684 7.046 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097970696 553957468 /nfs/dbraw/zinc/95/74/68/553957468.db2.gz RSEGNZCTDVBTEP-NSYGIPOTSA-N -1 1 571.680 5.945 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097970693 553957483 /nfs/dbraw/zinc/95/74/83/553957483.db2.gz FEXZMXFDWHMTQM-KWMCUTETSA-N -1 1 604.725 6.584 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097970693 553957485 /nfs/dbraw/zinc/95/74/85/553957485.db2.gz FEXZMXFDWHMTQM-KWMCUTETSA-N -1 1 604.725 6.584 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970726 553957976 /nfs/dbraw/zinc/95/79/76/553957976.db2.gz QVRWSTINTZPUET-PKHCJMHPSA-N -1 1 628.747 7.235 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970758 553958297 /nfs/dbraw/zinc/95/82/97/553958297.db2.gz NFCLWJVXVSQVGD-GDJIYFAZSA-N -1 1 568.651 6.227 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970758 553958299 /nfs/dbraw/zinc/95/82/99/553958299.db2.gz NFCLWJVXVSQVGD-GDJIYFAZSA-N -1 1 568.651 6.227 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970757 553958314 /nfs/dbraw/zinc/95/83/14/553958314.db2.gz NFCLWJVXVSQVGD-WHLCRQNOSA-N -1 1 568.651 6.227 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970757 553958316 /nfs/dbraw/zinc/95/83/16/553958316.db2.gz NFCLWJVXVSQVGD-WHLCRQNOSA-N -1 1 568.651 6.227 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097970739 553958350 /nfs/dbraw/zinc/95/83/50/553958350.db2.gz AGQVTINAONGDGH-XMMPIXPASA-N -1 1 577.456 6.230 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097970739 553958352 /nfs/dbraw/zinc/95/83/52/553958352.db2.gz AGQVTINAONGDGH-XMMPIXPASA-N -1 1 577.456 6.230 50 30 KKEAMM CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000097999860 554046468 /nfs/dbraw/zinc/04/64/68/554046468.db2.gz PVDPLAQFKGFUOT-MRFARIQKSA-N -1 1 665.186 8.392 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000098045380 554131230 /nfs/dbraw/zinc/13/12/30/554131230.db2.gz BFQWJVIEEVHIMC-FQEVSTJZSA-N -1 1 531.175 6.134 50 30 KKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000098046311 554137608 /nfs/dbraw/zinc/13/76/08/554137608.db2.gz OCGGVNCNZDYPDH-QHCPKHFHSA-N -1 1 532.618 5.593 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000098046311 554137610 /nfs/dbraw/zinc/13/76/10/554137610.db2.gz OCGGVNCNZDYPDH-QHCPKHFHSA-N -1 1 532.618 5.593 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000098046322 554137984 /nfs/dbraw/zinc/13/79/84/554137984.db2.gz DUCIHIXAEGZUFJ-DEOSSOPVSA-N -1 1 544.629 5.759 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098046372 554138350 /nfs/dbraw/zinc/13/83/50/554138350.db2.gz BBBLJAZAPVRFCV-AREMUKBSSA-N -1 1 554.624 6.025 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098046372 554138352 /nfs/dbraw/zinc/13/83/52/554138352.db2.gz BBBLJAZAPVRFCV-AREMUKBSSA-N -1 1 554.624 6.025 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046481 554139467 /nfs/dbraw/zinc/13/94/67/554139467.db2.gz MYTDSCTUSDNYFN-NDEPHWFRSA-N -1 1 617.768 8.055 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046481 554139468 /nfs/dbraw/zinc/13/94/68/554139468.db2.gz MYTDSCTUSDNYFN-NDEPHWFRSA-N -1 1 617.768 8.055 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccccc2F)cc1 ZINC000098046470 554139497 /nfs/dbraw/zinc/13/94/97/554139497.db2.gz MILBGRCOJNHZMF-RUZDIDTESA-N -1 1 593.677 7.070 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046485 554139707 /nfs/dbraw/zinc/13/97/07/554139707.db2.gz GVQIFQORRLGGOW-VWLOTQADSA-N -1 1 644.577 8.238 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000098046501 554139724 /nfs/dbraw/zinc/13/97/24/554139724.db2.gz QETLVDXQCGNAFE-QFIPXVFZSA-N -1 1 613.048 6.323 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098046495 554139986 /nfs/dbraw/zinc/13/99/86/554139986.db2.gz KOLUCLXLEYYJQL-NDEPHWFRSA-N -1 1 625.703 7.553 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC ZINC000098046535 554140353 /nfs/dbraw/zinc/14/03/53/554140353.db2.gz MHVXCWTYQBADDU-GDLZYMKVSA-N -1 1 676.216 8.591 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000098046571 554140599 /nfs/dbraw/zinc/14/05/99/554140599.db2.gz ZRAHQYDEMUFGBV-XMMPIXPASA-N -1 1 574.655 5.646 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000098046571 554140600 /nfs/dbraw/zinc/14/06/00/554140600.db2.gz ZRAHQYDEMUFGBV-XMMPIXPASA-N -1 1 574.655 5.646 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098046665 554142038 /nfs/dbraw/zinc/14/20/38/554142038.db2.gz GYPCVEUZHSBXPE-JOCHJYFZSA-N -1 1 565.604 5.498 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000098046680 554142371 /nfs/dbraw/zinc/14/23/71/554142371.db2.gz GFVGAYVZBXPFDZ-SANMLTNESA-N -1 1 556.615 6.464 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccnc2)cc1 ZINC000098046842 554144062 /nfs/dbraw/zinc/14/40/62/554144062.db2.gz JNJGKKUAOLJZJA-OAQYLSRUSA-N -1 1 535.050 5.970 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc(OC)c1OC ZINC000098046852 554144397 /nfs/dbraw/zinc/14/43/97/554144397.db2.gz WMXVZEMKHIKAIU-OAQYLSRUSA-N -1 1 599.687 5.840 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000098046850 554144416 /nfs/dbraw/zinc/14/44/16/554144416.db2.gz OLPWMGBUFYDSNA-JOCHJYFZSA-N -1 1 568.051 6.414 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc(OC)c1OC ZINC000098046853 554144449 /nfs/dbraw/zinc/14/44/49/554144449.db2.gz WMXVZEMKHIKAIU-NRFANRHFSA-N -1 1 599.687 5.840 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047266 554148280 /nfs/dbraw/zinc/14/82/80/554148280.db2.gz XMFGJGIGZDTHCX-NDEPHWFRSA-N -1 1 643.718 7.019 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1F ZINC000098047267 554148452 /nfs/dbraw/zinc/14/84/52/554148452.db2.gz PWSNIRYZAGVXPO-JGCGQSQUSA-N -1 1 699.826 8.348 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccnc2)cc1 ZINC000098047337 554149567 /nfs/dbraw/zinc/14/95/67/554149567.db2.gz DZRXDZCNOZGFGQ-DEOSSOPVSA-N -1 1 576.675 6.326 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000098047356 554149618 /nfs/dbraw/zinc/14/96/18/554149618.db2.gz PTWBRFSRVYCJLL-WJOKGBTCSA-N -1 1 684.239 9.238 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000098047341 554149704 /nfs/dbraw/zinc/14/97/04/554149704.db2.gz SQQJPUYUWKIEGA-HKBQPEDESA-N -1 1 667.784 8.724 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000098047368 554150005 /nfs/dbraw/zinc/15/00/05/554150005.db2.gz ZMJLSXVMALZUTQ-HHHXNRCGSA-N -1 1 601.750 7.191 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000098047366 554150028 /nfs/dbraw/zinc/15/00/28/554150028.db2.gz XGIKIBVAYGAPHD-RUZDIDTESA-N -1 1 671.038 8.208 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccccc2)cc1 ZINC000098047377 554150053 /nfs/dbraw/zinc/15/00/53/554150053.db2.gz KQVVRADDHXGCDY-VWLOTQADSA-N -1 1 557.697 6.792 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000098047382 554150089 /nfs/dbraw/zinc/15/00/89/554150089.db2.gz JUYURUQXLLORPE-AREMUKBSSA-N -1 1 587.723 6.801 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000098047390 554150380 /nfs/dbraw/zinc/15/03/80/554150380.db2.gz RBSYUPAWYFAYTE-RUZDIDTESA-N -1 1 644.577 8.156 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000098047391 554150640 /nfs/dbraw/zinc/15/06/40/554150640.db2.gz RBSYUPAWYFAYTE-VWLOTQADSA-N -1 1 644.577 8.156 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OC ZINC000098047477 554151267 /nfs/dbraw/zinc/15/12/67/554151267.db2.gz GSXOEHICQPRRHP-LJAQVGFWSA-N -1 1 678.232 8.019 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000098047452 554151287 /nfs/dbraw/zinc/15/12/87/554151287.db2.gz RVMPYFFFSIADBS-SSEXGKCCSA-N -1 1 678.276 9.015 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047471 554151513 /nfs/dbraw/zinc/15/15/13/554151513.db2.gz UKKFSEMTVDOQRE-YTTGMZPUSA-N -1 1 663.821 8.371 50 30 KKEAMM CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC ZINC000098047511 554152134 /nfs/dbraw/zinc/15/21/34/554152134.db2.gz ZPNFMSSIUYOSHU-JGCGQSQUSA-N -1 1 722.329 9.413 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000098047522 554152265 /nfs/dbraw/zinc/15/22/65/554152265.db2.gz YDSPLYPBZBJGJR-MUUNZHRXSA-N -1 1 636.767 7.168 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047655 554153909 /nfs/dbraw/zinc/15/39/09/554153909.db2.gz JDPCANOYHHVEKA-MUUNZHRXSA-N -1 1 631.776 7.200 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047658 554153912 /nfs/dbraw/zinc/15/39/12/554153912.db2.gz WVGLVAZVINLUGC-SANMLTNESA-N -1 1 615.733 6.579 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047632 554153932 /nfs/dbraw/zinc/15/39/32/554153932.db2.gz VMUWOROQKPFMRS-VWLOTQADSA-N -1 1 620.684 6.840 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccccc2F)cc1 ZINC000098047644 554153987 /nfs/dbraw/zinc/15/39/87/554153987.db2.gz XKDCLKAXDITKTK-VWLOTQADSA-N -1 1 610.132 7.585 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047684 554154574 /nfs/dbraw/zinc/15/45/74/554154574.db2.gz YEBLCYVNCHHCSE-HKBQPEDESA-N -1 1 708.302 8.879 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2)cc1F ZINC000098047702 554154843 /nfs/dbraw/zinc/15/48/43/554154843.db2.gz MHEVBXWMPSTCPD-SANMLTNESA-N -1 1 583.666 6.914 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098047726 554155044 /nfs/dbraw/zinc/15/50/44/554155044.db2.gz PMFARINWCWNTSP-MHZLTWQESA-N -1 1 613.692 6.923 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047734 554155298 /nfs/dbraw/zinc/15/52/98/554155298.db2.gz UZQUCIKCKFETDO-LJAQVGFWSA-N -1 1 641.746 7.703 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047732 554155305 /nfs/dbraw/zinc/15/53/05/554155305.db2.gz HAJCPLARIOWHGV-YTTGMZPUSA-N -1 1 675.763 8.707 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(O)c2)cc1F ZINC000098047738 554155486 /nfs/dbraw/zinc/15/54/86/554155486.db2.gz QLNVTEKSUACMQH-SANMLTNESA-N -1 1 599.665 6.620 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2)cc1OC ZINC000098047773 554155775 /nfs/dbraw/zinc/15/57/75/554155775.db2.gz RKJIWXGARLUGHG-HHHXNRCGSA-N -1 1 595.702 6.784 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047787 554155848 /nfs/dbraw/zinc/15/58/48/554155848.db2.gz BOEPDRYJXGLFSC-GDLZYMKVSA-N -1 1 655.754 6.888 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047816 554156223 /nfs/dbraw/zinc/15/62/23/554156223.db2.gz LLHSQHMOKDLPIC-PMERELPUSA-N -1 1 653.782 7.573 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047788 554156267 /nfs/dbraw/zinc/15/62/67/554156267.db2.gz BOEPDRYJXGLFSC-LJAQVGFWSA-N -1 1 655.754 6.888 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047812 554156309 /nfs/dbraw/zinc/15/63/09/554156309.db2.gz BEHDQVVIWQFKQH-YTTGMZPUSA-N -1 1 681.836 8.353 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047833 554156593 /nfs/dbraw/zinc/15/65/93/554156593.db2.gz BGWSNXTXSKBUSJ-MUUNZHRXSA-N -1 1 678.594 9.160 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(F)cc2)cc1F ZINC000098047848 554157057 /nfs/dbraw/zinc/15/70/57/554157057.db2.gz YUKGOENNJKUOSY-SANMLTNESA-N -1 1 585.657 7.353 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccs2)cc1OC ZINC000098047855 554157118 /nfs/dbraw/zinc/15/71/18/554157118.db2.gz ZUPDUKMJXVVJIK-RUZDIDTESA-N -1 1 601.731 6.845 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000098048050 554159192 /nfs/dbraw/zinc/15/91/92/554159192.db2.gz XHOUYEFJMAJKSB-JMQGSBJISA-N -1 1 572.658 6.967 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000098048050 554159194 /nfs/dbraw/zinc/15/91/94/554159194.db2.gz XHOUYEFJMAJKSB-JMQGSBJISA-N -1 1 572.658 6.967 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000098048181 554160142 /nfs/dbraw/zinc/16/01/42/554160142.db2.gz WVSXOSJTLOYNNM-WGDIFIGCSA-N -1 1 563.676 5.776 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000098048181 554160147 /nfs/dbraw/zinc/16/01/47/554160147.db2.gz WVSXOSJTLOYNNM-WGDIFIGCSA-N -1 1 563.676 5.776 50 30 KKEAMM CC1(C)SC(=S)N(/N=C/c2c(F)cccc2Cl)[C@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000100099264 554219629 /nfs/dbraw/zinc/21/96/29/554219629.db2.gz HQVVKJRPZUHMDY-MLSHRIESSA-N -1 1 521.854 6.482 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053291330 554331542 /nfs/dbraw/zinc/33/15/42/554331542.db2.gz PALGSGOSKGPQAV-SHACYNPGSA-N -1 1 533.005 6.065 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053291330 554331546 /nfs/dbraw/zinc/33/15/46/554331546.db2.gz PALGSGOSKGPQAV-SHACYNPGSA-N -1 1 533.005 6.065 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053291238 554331589 /nfs/dbraw/zinc/33/15/89/554331589.db2.gz YGAJDMZKOBQSQV-NRFANRHFSA-N -1 1 520.588 5.326 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000053291630 554331823 /nfs/dbraw/zinc/33/18/23/554331823.db2.gz OZLYJYQEWULCCQ-OAQYLSRUSA-N -1 1 522.941 5.658 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000053291941 554332005 /nfs/dbraw/zinc/33/20/05/554332005.db2.gz UXHQWFYGRDMQAL-QFIPXVFZSA-N -1 1 519.966 6.258 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053291523 554332066 /nfs/dbraw/zinc/33/20/66/554332066.db2.gz JAVADCPRQIVSAK-JOCHJYFZSA-N -1 1 552.630 5.565 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000053292120 554332415 /nfs/dbraw/zinc/33/24/15/554332415.db2.gz XUWNUVHMNCPFGH-HHHXNRCGSA-N -1 1 572.639 5.875 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000053292173 554332450 /nfs/dbraw/zinc/33/24/50/554332450.db2.gz DBLVHZDETBYRKD-FQEVSTJZSA-N -1 1 531.175 6.134 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053305817 554332834 /nfs/dbraw/zinc/33/28/34/554332834.db2.gz IFVBPCFXWBAHBZ-HSZRJFAPSA-N -1 1 563.429 5.921 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053305817 554332830 /nfs/dbraw/zinc/33/28/30/554332830.db2.gz IFVBPCFXWBAHBZ-HSZRJFAPSA-N -1 1 563.429 5.921 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053305814 554332866 /nfs/dbraw/zinc/33/28/66/554332866.db2.gz IFVBPCFXWBAHBZ-QHCPKHFHSA-N -1 1 563.429 5.921 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053305814 554332864 /nfs/dbraw/zinc/33/28/64/554332864.db2.gz IFVBPCFXWBAHBZ-QHCPKHFHSA-N -1 1 563.429 5.921 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053306165 554333498 /nfs/dbraw/zinc/33/34/98/554333498.db2.gz OCHLNDFNPHNFBB-DEOSSOPVSA-N -1 1 535.021 6.367 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000053306290 554333505 /nfs/dbraw/zinc/33/35/05/554333505.db2.gz RSGWAGAPLZXVFR-PMERELPUSA-N -1 1 590.657 6.738 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053306738 554334182 /nfs/dbraw/zinc/33/41/82/554334182.db2.gz PVDVYESUWYMKMP-HXUWFJFHSA-N -1 1 571.449 5.491 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053306667 554334196 /nfs/dbraw/zinc/33/41/96/554334196.db2.gz WZEAMWYWJGYBCA-NRFANRHFSA-N -1 1 583.460 5.657 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306914 554334648 /nfs/dbraw/zinc/33/46/48/554334648.db2.gz DICJVILJXIRMTE-QFIPXVFZSA-N -1 1 535.419 6.240 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000053307122 554334694 /nfs/dbraw/zinc/33/46/94/554334694.db2.gz MJHMUYPLHVPMRY-DEOSSOPVSA-N -1 1 529.574 6.003 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053307001 554334855 /nfs/dbraw/zinc/33/48/55/554334855.db2.gz OGHXRBKLOUSPDW-MQNRADLISA-N -1 1 557.584 5.710 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053307347 554335137 /nfs/dbraw/zinc/33/51/37/554335137.db2.gz MUYPMJYNIYKQHK-QFIPXVFZSA-N -1 1 569.864 6.894 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053319144 554336332 /nfs/dbraw/zinc/33/63/32/554336332.db2.gz WXUREQIPKUCOFT-HSZRJFAPSA-N -1 1 532.574 5.114 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053319144 554336328 /nfs/dbraw/zinc/33/63/28/554336328.db2.gz WXUREQIPKUCOFT-HSZRJFAPSA-N -1 1 532.574 5.114 50 30 KKEAMM CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053319390 554337641 /nfs/dbraw/zinc/33/76/41/554337641.db2.gz DYVHNIKVZFYGBG-QHCPKHFHSA-N -1 1 565.445 6.249 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053319390 554337643 /nfs/dbraw/zinc/33/76/43/554337643.db2.gz DYVHNIKVZFYGBG-QHCPKHFHSA-N -1 1 565.445 6.249 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000053319495 554338264 /nfs/dbraw/zinc/33/82/64/554338264.db2.gz DRYJSNDYYCJCJD-IBGZPJMESA-N -1 1 514.719 5.189 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000053319482 554338304 /nfs/dbraw/zinc/33/83/04/554338304.db2.gz UNGHTZTZEGODCR-NRFANRHFSA-N -1 1 551.577 5.025 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053332359 554339087 /nfs/dbraw/zinc/33/90/87/554339087.db2.gz HWJRXJRFVWQPMP-OZAJXLCCSA-N -1 1 567.450 6.718 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000053333624 554339689 /nfs/dbraw/zinc/33/96/89/554339689.db2.gz SDOZOKKFGUHRRZ-JOCHJYFZSA-N -1 1 539.396 6.157 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000053334285 554340135 /nfs/dbraw/zinc/34/01/35/554340135.db2.gz KDASUVYWBAVXPI-MHZLTWQESA-N -1 1 572.639 6.038 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000053334285 554340138 /nfs/dbraw/zinc/34/01/38/554340138.db2.gz KDASUVYWBAVXPI-MHZLTWQESA-N -1 1 572.639 6.038 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053334601 554340295 /nfs/dbraw/zinc/34/02/95/554340295.db2.gz OZZFDJUTXAIBRU-AKJBCIBTSA-N -1 1 559.043 6.621 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053334601 554340299 /nfs/dbraw/zinc/34/02/99/554340299.db2.gz OZZFDJUTXAIBRU-AKJBCIBTSA-N -1 1 559.043 6.621 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053335061 554340556 /nfs/dbraw/zinc/34/05/56/554340556.db2.gz VOJMNMILROOTDZ-SANMLTNESA-N -1 1 574.611 5.266 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053335061 554340557 /nfs/dbraw/zinc/34/05/57/554340557.db2.gz VOJMNMILROOTDZ-SANMLTNESA-N -1 1 574.611 5.266 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000053335738 554340953 /nfs/dbraw/zinc/34/09/53/554340953.db2.gz GHNZOHDWWXPRBM-DEOSSOPVSA-N -1 1 549.004 5.903 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053336027 554341389 /nfs/dbraw/zinc/34/13/89/554341389.db2.gz BTXOEIXWXPHJRF-RUZDIDTESA-N -1 1 561.015 6.069 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053336144 554341437 /nfs/dbraw/zinc/34/14/37/554341437.db2.gz QWEFSURMYXRSCP-XGCWNURASA-N -1 1 575.086 7.235 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053336144 554341433 /nfs/dbraw/zinc/34/14/33/554341433.db2.gz QWEFSURMYXRSCP-XGCWNURASA-N -1 1 575.086 7.235 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053336169 554341586 /nfs/dbraw/zinc/34/15/86/554341586.db2.gz LBSUXIAXGXSGIQ-MQNRADLISA-N -1 1 531.033 6.618 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000053336869 554341926 /nfs/dbraw/zinc/34/19/26/554341926.db2.gz ARVUTJUCXDOALP-KWMCUTETSA-N -1 1 570.667 6.508 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053337880 554342533 /nfs/dbraw/zinc/34/25/33/554342533.db2.gz HFVOJCAJLVCJFD-QHCPKHFHSA-N -1 1 534.977 5.512 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053340098 554343828 /nfs/dbraw/zinc/34/38/28/554343828.db2.gz SWURJMMSXFHDAF-RUZDIDTESA-N -1 1 528.586 5.558 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053340670 554344193 /nfs/dbraw/zinc/34/41/93/554344193.db2.gz DNMISWFTXQNGDM-NRFANRHFSA-N -1 1 532.312 6.259 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053340313 554344283 /nfs/dbraw/zinc/34/42/83/554344283.db2.gz DPURGZNHFPJVKS-XMMPIXPASA-N -1 1 563.473 6.803 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053340313 554344285 /nfs/dbraw/zinc/34/42/85/554344285.db2.gz DPURGZNHFPJVKS-XMMPIXPASA-N -1 1 563.473 6.803 50 30 KKEAMM O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])cc1)c1cccc(Cl)c1 ZINC000100457275 554396579 /nfs/dbraw/zinc/39/65/79/554396579.db2.gz JYPLNHPRVWYWLE-WCMJOSRZSA-N -1 1 554.271 8.055 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccccc2F)cc1 ZINC000100674861 554443336 /nfs/dbraw/zinc/44/33/36/554443336.db2.gz MOIUDXVUGIWLIV-XMMPIXPASA-N -1 1 566.651 6.365 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100677211 554444192 /nfs/dbraw/zinc/44/41/92/554444192.db2.gz OVVOIUDJPYTSCC-LJQANCHMSA-N -1 1 549.407 6.165 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000100677184 554444254 /nfs/dbraw/zinc/44/42/54/554444254.db2.gz LOODHLIENQRIPE-QHCPKHFHSA-N -1 1 566.607 5.432 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000100677764 554444887 /nfs/dbraw/zinc/44/48/87/554444887.db2.gz IGEXOAORPFQNFF-AREMUKBSSA-N -1 1 608.713 6.387 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000100679388 554445393 /nfs/dbraw/zinc/44/53/93/554445393.db2.gz RECMOFRKXWMAEW-QFIPXVFZSA-N -1 1 589.497 6.897 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000100679594 554445687 /nfs/dbraw/zinc/44/56/87/554445687.db2.gz JXDUTKNCZVBARK-JOCHJYFZSA-N -1 1 538.597 5.729 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCC)c(OCC)c2)cc1 ZINC000100679971 554446031 /nfs/dbraw/zinc/44/60/31/554446031.db2.gz DHNKAEZRYGWPMW-HHHXNRCGSA-N -1 1 622.740 6.778 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000100680236 554446095 /nfs/dbraw/zinc/44/60/95/554446095.db2.gz IWCRUUJZHDGFFB-XMMPIXPASA-N -1 1 580.659 5.694 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000100681019 554447166 /nfs/dbraw/zinc/44/71/66/554447166.db2.gz ZHEXPEKUAAPQKE-QFIPXVFZSA-N -1 1 538.597 5.729 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000100681475 554447804 /nfs/dbraw/zinc/44/78/04/554447804.db2.gz AERUDPREFPIWPD-QFIPXVFZSA-N -1 1 582.606 5.051 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000100681478 554447817 /nfs/dbraw/zinc/44/78/17/554447817.db2.gz AERUDPREFPIWPD-JOCHJYFZSA-N -1 1 582.606 5.051 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000100681444 554447912 /nfs/dbraw/zinc/44/79/12/554447912.db2.gz YBGOHABOYLVKKK-HXUWFJFHSA-N -1 1 526.973 5.678 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)c(C)c1 ZINC000100736778 554461162 /nfs/dbraw/zinc/46/11/62/554461162.db2.gz UHDUAXGXKMJFAF-OAQYLSRUSA-N -1 1 541.025 5.772 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100736830 554461192 /nfs/dbraw/zinc/46/11/92/554461192.db2.gz MKHAWVDDJLUVMG-VWLOTQADSA-N -1 1 576.671 6.073 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100736791 554461354 /nfs/dbraw/zinc/46/13/54/554461354.db2.gz VRFYXRFGGZFLFU-XMMPIXPASA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100736791 554461355 /nfs/dbraw/zinc/46/13/55/554461355.db2.gz VRFYXRFGGZFLFU-XMMPIXPASA-N -1 1 562.644 5.683 50 30 KKEAMM CCCCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(OC)cc1)c1ccccc21 ZINC000100738845 554462201 /nfs/dbraw/zinc/46/22/01/554462201.db2.gz GWUJUZFVDADVEL-UHFFFAOYSA-N -1 1 509.624 6.831 50 30 KKEAMM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000100812893 554475451 /nfs/dbraw/zinc/47/54/51/554475451.db2.gz WIYGTLSXYFERNI-AUEPDCJTSA-N -1 1 504.203 6.650 50 30 KKEAMM CCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000100866300 554497140 /nfs/dbraw/zinc/49/71/40/554497140.db2.gz KKHWFDPCXBCKEQ-HKBQPEDESA-N -1 1 606.700 7.374 50 30 KKEAMM Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000100868538 554497545 /nfs/dbraw/zinc/49/75/45/554497545.db2.gz FGGXAUKILYLZIU-SANMLTNESA-N -1 1 624.615 8.660 50 30 KKEAMM O=S(=O)([N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100913286 554518830 /nfs/dbraw/zinc/51/88/30/554518830.db2.gz UPAFRBCLMXANIU-UHFFFAOYSA-N -1 1 564.813 7.385 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069783 554574088 /nfs/dbraw/zinc/57/40/88/554574088.db2.gz QVOMZPVTXSFSIX-MOBKVPTQSA-N -1 1 519.420 6.302 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072996 554576467 /nfs/dbraw/zinc/57/64/67/554576467.db2.gz POPVDSNWBDQUMG-QOJBNDRUSA-N -1 1 509.381 5.895 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072997 554576506 /nfs/dbraw/zinc/57/65/06/554576506.db2.gz POPVDSNWBDQUMG-ASBZNUFUSA-N -1 1 509.381 5.895 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)o1 ZINC000101100221 554587113 /nfs/dbraw/zinc/58/71/13/554587113.db2.gz KOQUJGWYWCBRPM-PGVNHDJNSA-N -1 1 523.408 6.203 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)o1 ZINC000101100223 554587157 /nfs/dbraw/zinc/58/71/57/554587157.db2.gz KOQUJGWYWCBRPM-OBVHCKHUSA-N -1 1 523.408 6.203 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101661 554638894 /nfs/dbraw/zinc/63/88/94/554638894.db2.gz ZYNBLMOPVCIKHY-ASBZNUFUSA-N -1 1 525.449 6.363 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101661 554638895 /nfs/dbraw/zinc/63/88/95/554638895.db2.gz ZYNBLMOPVCIKHY-ASBZNUFUSA-N -1 1 525.449 6.363 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000101276789 554703192 /nfs/dbraw/zinc/70/31/92/554703192.db2.gz SLJYPJFFKLYQKB-TXTDGAROSA-N -1 1 594.689 6.616 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276841 554703555 /nfs/dbraw/zinc/70/35/55/554703555.db2.gz GTFCYJNRTMNFAS-DFXXOVSGSA-N -1 1 624.671 5.771 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000101277579 554703986 /nfs/dbraw/zinc/70/39/86/554703986.db2.gz IFUVJNRFWVDOEH-JBCNATCCSA-N -1 1 583.460 5.500 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000101277460 554704003 /nfs/dbraw/zinc/70/40/03/554704003.db2.gz LTVQCKQQTOJEKK-TVXPFAQOSA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000101277460 554704004 /nfs/dbraw/zinc/70/40/04/554704004.db2.gz LTVQCKQQTOJEKK-TVXPFAQOSA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000101278098 554704457 /nfs/dbraw/zinc/70/44/57/554704457.db2.gz XDHOZAMELDILEI-ZHHPLPSFSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000101278098 554704458 /nfs/dbraw/zinc/70/44/58/554704458.db2.gz XDHOZAMELDILEI-ZHHPLPSFSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000101278096 554704543 /nfs/dbraw/zinc/70/45/43/554704543.db2.gz BGFFMNSOLRWJSP-MIOXIQPJSA-N -1 1 624.715 6.707 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000101278203 554704883 /nfs/dbraw/zinc/70/48/83/554704883.db2.gz HFJKDMCTYSDKKG-MRJHHRETSA-N -1 1 583.460 5.500 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000101278341 554705050 /nfs/dbraw/zinc/70/50/50/554705050.db2.gz GHKBFIIPGICHNS-SOIUSXPSSA-N -1 1 560.628 5.143 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000101278341 554705052 /nfs/dbraw/zinc/70/50/52/554705052.db2.gz GHKBFIIPGICHNS-SOIUSXPSSA-N -1 1 560.628 5.143 50 30 KKEAMM COc1ccc(OC)c([C@@H]2c3c(=O)[n-]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101289334 554707272 /nfs/dbraw/zinc/70/72/72/554707272.db2.gz KWQTYMTTZILJOC-QFIPXVFZSA-N -1 1 548.621 5.188 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101293939 554710250 /nfs/dbraw/zinc/71/02/50/554710250.db2.gz VSMLCPOIJYZEBV-IUKMQXEJSA-N -1 1 531.033 6.703 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101293939 554710252 /nfs/dbraw/zinc/71/02/52/554710252.db2.gz VSMLCPOIJYZEBV-IUKMQXEJSA-N -1 1 531.033 6.703 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310240 554717256 /nfs/dbraw/zinc/71/72/56/554717256.db2.gz DCHFWOOTLYCADW-SSELITHESA-N -1 1 574.655 5.567 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310240 554717258 /nfs/dbraw/zinc/71/72/58/554717258.db2.gz DCHFWOOTLYCADW-SSELITHESA-N -1 1 574.655 5.567 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310234 554717355 /nfs/dbraw/zinc/71/73/55/554717355.db2.gz DCHFWOOTLYCADW-UJWLLDLUSA-N -1 1 574.655 5.567 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310234 554717358 /nfs/dbraw/zinc/71/73/58/554717358.db2.gz DCHFWOOTLYCADW-UJWLLDLUSA-N -1 1 574.655 5.567 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000101310249 554717384 /nfs/dbraw/zinc/71/73/84/554717384.db2.gz WGMYAUMKMRAHFP-WNQPQFFOSA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000101310249 554717388 /nfs/dbraw/zinc/71/73/88/554717388.db2.gz WGMYAUMKMRAHFP-WNQPQFFOSA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000101313742 554722133 /nfs/dbraw/zinc/72/21/33/554722133.db2.gz HJMOHZVMTZWQHJ-UJWLLDLUSA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000101313742 554722135 /nfs/dbraw/zinc/72/21/35/554722135.db2.gz HJMOHZVMTZWQHJ-UJWLLDLUSA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316570 554723725 /nfs/dbraw/zinc/72/37/25/554723725.db2.gz UYCHDWNIUWOMOU-FPRSLYQBSA-N -1 1 568.651 6.210 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000101316812 554723883 /nfs/dbraw/zinc/72/38/83/554723883.db2.gz MAIZFVSGDGCONO-LODGOHBISA-N -1 1 611.745 6.653 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000101316809 554723923 /nfs/dbraw/zinc/72/39/23/554723923.db2.gz MAIZFVSGDGCONO-FGEDTZIGSA-N -1 1 611.745 6.653 50 30 KKEAMM CCCCc1c/c(=N\OC(=O)[C@@H]([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3 ZINC000101484550 554785311 /nfs/dbraw/zinc/78/53/11/554785311.db2.gz XEGDQNXNRMIFSG-CXWKTGLFSA-N -1 1 628.791 7.190 50 30 KKEAMM CCCCCCCSc1nnc(-c2ccccc2NC=C2C(C)=NN(c3ccccc3)C2=O)c(=O)[n-]1 ZINC000101972715 554860958 /nfs/dbraw/zinc/86/09/58/554860958.db2.gz JVNKMCUNTYPBIS-RELWKKBWSA-N -1 1 502.644 6.025 50 30 KKEAMM CCCCCCCSc1nnc(-c2ccccc2N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[n-]1 ZINC000101972715 554860959 /nfs/dbraw/zinc/86/09/59/554860959.db2.gz JVNKMCUNTYPBIS-RELWKKBWSA-N -1 1 502.644 6.025 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076586 554874775 /nfs/dbraw/zinc/87/47/75/554874775.db2.gz RAEKSADRALQULQ-XKNZNLGKSA-N -1 1 589.113 7.324 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076586 554874776 /nfs/dbraw/zinc/87/47/76/554874776.db2.gz RAEKSADRALQULQ-XKNZNLGKSA-N -1 1 589.113 7.324 50 30 KKEAMM CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cc(Br)cc(Br)c4[O-])c3c2C1 ZINC000102304483 554908882 /nfs/dbraw/zinc/90/88/82/554908882.db2.gz AGSYYQMKPICIEZ-GOFCGAQMSA-N -1 1 552.336 6.909 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102434316 554927580 /nfs/dbraw/zinc/92/75/80/554927580.db2.gz OYQIRVHXOMQAJJ-SBXHHDGASA-N -1 1 513.575 5.664 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102484868 554937935 /nfs/dbraw/zinc/93/79/35/554937935.db2.gz PABVTGRUJKJDKS-MOBKVPTQSA-N -1 1 520.994 5.902 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102484868 554937939 /nfs/dbraw/zinc/93/79/39/554937939.db2.gz PABVTGRUJKJDKS-MOBKVPTQSA-N -1 1 520.994 5.902 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102487448 554938435 /nfs/dbraw/zinc/93/84/35/554938435.db2.gz WQIHIJVMUBQAGI-HOGKFDNTSA-N -1 1 508.502 5.218 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102486596 554938562 /nfs/dbraw/zinc/93/85/62/554938562.db2.gz YORPSBYUTQNHKG-NXLSWJSLSA-N -1 1 558.587 6.186 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000102486506 554938578 /nfs/dbraw/zinc/93/85/78/554938578.db2.gz ITWUPDWDSDUAQK-NPJIAGGLSA-N -1 1 527.602 5.369 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102491637 554939404 /nfs/dbraw/zinc/93/94/04/554939404.db2.gz FRDDIIDBWNCYQT-MRJHHRETSA-N -1 1 511.386 6.238 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102492570 554939687 /nfs/dbraw/zinc/93/96/87/554939687.db2.gz XWAUPWVIQLBOMW-MOBKVPTQSA-N -1 1 522.604 5.400 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102492794 554939700 /nfs/dbraw/zinc/93/97/00/554939700.db2.gz BKSLHSVAYYHRQY-LFVOPCPISA-N -1 1 511.353 5.287 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102497062 554941036 /nfs/dbraw/zinc/94/10/36/554941036.db2.gz HNLAVBQMDKFAEW-SBXHHDGASA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102497069 554941077 /nfs/dbraw/zinc/94/10/77/554941077.db2.gz HNLAVBQMDKFAEW-NXLSWJSLSA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102503490 554943976 /nfs/dbraw/zinc/94/39/76/554943976.db2.gz FCZNKQVLHGCHPH-MOBKVPTQSA-N -1 1 553.409 6.223 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102504296 554944276 /nfs/dbraw/zinc/94/42/76/554944276.db2.gz BHXDZZAWPFTUCS-MRJHHRETSA-N -1 1 521.392 5.694 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102504288 554944338 /nfs/dbraw/zinc/94/43/38/554944338.db2.gz BHXDZZAWPFTUCS-JBCNATCCSA-N -1 1 521.392 5.694 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102508207 554945481 /nfs/dbraw/zinc/94/54/81/554945481.db2.gz CYUWKBPFYFUADM-HOGKFDNTSA-N -1 1 508.502 5.218 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102508756 554945726 /nfs/dbraw/zinc/94/57/26/554945726.db2.gz AQEPKBAHDBFNEY-NPJIAGGLSA-N -1 1 500.507 5.098 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102510437 554946007 /nfs/dbraw/zinc/94/60/07/554946007.db2.gz RXDZYEUNFQQHQW-ZHHPLPSFSA-N -1 1 534.565 5.478 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102510034 554946093 /nfs/dbraw/zinc/94/60/93/554946093.db2.gz HLHRHTWMUFNPNX-ZHHPLPSFSA-N -1 1 504.539 5.469 50 30 KKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000102515890 554947832 /nfs/dbraw/zinc/94/78/32/554947832.db2.gz ITCVHJMQILTQIH-BUANBSPESA-N -1 1 504.995 6.201 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102520657 554949686 /nfs/dbraw/zinc/94/96/86/554949686.db2.gz KMZXHCQTRVZDBW-MOBKVPTQSA-N -1 1 502.523 5.157 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102522340 554949910 /nfs/dbraw/zinc/94/99/10/554949910.db2.gz MVSVTSZBEUKEAR-ONQGDUAMSA-N -1 1 614.676 5.769 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102522340 554949912 /nfs/dbraw/zinc/94/99/12/554949912.db2.gz MVSVTSZBEUKEAR-ONQGDUAMSA-N -1 1 614.676 5.769 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102524060 554950884 /nfs/dbraw/zinc/95/08/84/554950884.db2.gz BXWOXQDHBZTYLR-SBXHHDGASA-N -1 1 502.567 6.159 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(CC)cc2)nc1C ZINC000102526342 554952169 /nfs/dbraw/zinc/95/21/69/554952169.db2.gz QVRVMMYEBJPTOG-DFXXOVSGSA-N -1 1 596.705 6.704 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102529184 554953044 /nfs/dbraw/zinc/95/30/44/554953044.db2.gz AQADGKGACMKFLG-SBXHHDGASA-N -1 1 516.619 6.520 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000102532255 554954245 /nfs/dbraw/zinc/95/42/45/554954245.db2.gz GGBDHJHXLWDZII-ZHHPLPSFSA-N -1 1 508.596 5.192 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102533144 554954718 /nfs/dbraw/zinc/95/47/18/554954718.db2.gz NNWPCUQWMMHAPY-SBXHHDGASA-N -1 1 581.046 6.001 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102538156 554956283 /nfs/dbraw/zinc/95/62/83/554956283.db2.gz GNMUWXMXPVVHRQ-ZHHPLPSFSA-N -1 1 565.445 6.092 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102541200 554957403 /nfs/dbraw/zinc/95/74/03/554957403.db2.gz NANMRPBCPJYICC-AYWGPLOBSA-N -1 1 504.995 6.283 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102541200 554957404 /nfs/dbraw/zinc/95/74/04/554957404.db2.gz NANMRPBCPJYICC-AYWGPLOBSA-N -1 1 504.995 6.283 50 30 KKEAMM COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102541024 554957425 /nfs/dbraw/zinc/95/74/25/554957425.db2.gz OECHVEALSNCVSJ-AYWGPLOBSA-N -1 1 550.564 5.096 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102541024 554957426 /nfs/dbraw/zinc/95/74/26/554957426.db2.gz OECHVEALSNCVSJ-AYWGPLOBSA-N -1 1 550.564 5.096 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102543462 554958084 /nfs/dbraw/zinc/95/80/84/554958084.db2.gz HFQSXWBNDKCOLU-AYWGPLOBSA-N -1 1 520.538 5.088 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102547356 554959989 /nfs/dbraw/zinc/95/99/89/554959989.db2.gz YQGVPOXGPYWRII-GAPOMRBKSA-N -1 1 574.655 5.882 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102547950 554960311 /nfs/dbraw/zinc/96/03/11/554960311.db2.gz OHLUARWFYYYBDU-HAQIDCBSSA-N -1 1 556.596 5.041 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102547950 554960313 /nfs/dbraw/zinc/96/03/13/554960313.db2.gz OHLUARWFYYYBDU-HAQIDCBSSA-N -1 1 556.596 5.041 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3)sc2c1 ZINC000102549112 554960823 /nfs/dbraw/zinc/96/08/23/554960823.db2.gz DJONHHTVOUCUNB-SBXHHDGASA-N -1 1 514.559 5.093 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3)sc2c1 ZINC000102549112 554960826 /nfs/dbraw/zinc/96/08/26/554960826.db2.gz DJONHHTVOUCUNB-SBXHHDGASA-N -1 1 514.559 5.093 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102549151 554960865 /nfs/dbraw/zinc/96/08/65/554960865.db2.gz GBZCFLCEYJTHQB-UJWLLDLUSA-N -1 1 526.614 5.817 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102549682 554961015 /nfs/dbraw/zinc/96/10/15/554961015.db2.gz RIXJNUVAJPSGGL-UVDRRRQGSA-N -1 1 543.557 5.219 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102549682 554961017 /nfs/dbraw/zinc/96/10/17/554961017.db2.gz RIXJNUVAJPSGGL-UVDRRRQGSA-N -1 1 543.557 5.219 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102553455 554963120 /nfs/dbraw/zinc/96/31/20/554963120.db2.gz LRFZTOTWTQMKBZ-JUQULXIISA-N -1 1 556.640 5.967 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102554105 554963412 /nfs/dbraw/zinc/96/34/12/554963412.db2.gz BOOHOOQDZFWIQN-XTUFCYCQSA-N -1 1 589.113 7.468 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102554105 554963416 /nfs/dbraw/zinc/96/34/16/554963416.db2.gz BOOHOOQDZFWIQN-XTUFCYCQSA-N -1 1 589.113 7.468 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102553802 554963445 /nfs/dbraw/zinc/96/34/45/554963445.db2.gz UVZJCMZPIMCJNB-HALAOQOWSA-N -1 1 561.457 6.317 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102556534 554964663 /nfs/dbraw/zinc/96/46/63/554964663.db2.gz KPTNLZOWTILMRI-NBXYUPGTSA-N -1 1 612.748 7.522 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102556257 554964777 /nfs/dbraw/zinc/96/47/77/554964777.db2.gz KCGQOJOZVAIBLA-AIKCTZLLSA-N -1 1 610.544 7.087 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000102558735 554966272 /nfs/dbraw/zinc/96/62/72/554966272.db2.gz WIODTRBANIFEEU-MOBKVPTQSA-N -1 1 549.948 5.255 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000102558726 554966342 /nfs/dbraw/zinc/96/63/42/554966342.db2.gz WIODTRBANIFEEU-HOGKFDNTSA-N -1 1 549.948 5.255 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102559728 554967150 /nfs/dbraw/zinc/96/71/50/554967150.db2.gz NGMVHKOWQNYCSI-CJJGVWJISA-N -1 1 613.648 6.050 50 30 KKEAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000102560211 554967567 /nfs/dbraw/zinc/96/75/67/554967567.db2.gz MQTLFDWDQUGBMS-JOCHJYFZSA-N -1 1 584.492 7.334 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102581512 554972548 /nfs/dbraw/zinc/97/25/48/554972548.db2.gz KZFVDRUJXYUOAJ-FECHNCLXSA-N -1 1 531.521 5.293 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102583957 554972817 /nfs/dbraw/zinc/97/28/17/554972817.db2.gz OMZYFVUHTFQBJA-ZHHPLPSFSA-N -1 1 596.061 6.020 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102591980 554974173 /nfs/dbraw/zinc/97/41/73/554974173.db2.gz CSKNSVKEPCQGTQ-AYWGPLOBSA-N -1 1 578.071 5.881 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000102591469 554974193 /nfs/dbraw/zinc/97/41/93/554974193.db2.gz LREPNWJIZRERQB-NPJIAGGLSA-N -1 1 622.124 6.280 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102596678 554976998 /nfs/dbraw/zinc/97/69/98/554976998.db2.gz GUXQUNIZHZYFBE-CZNAVJSXSA-N -1 1 592.670 5.629 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102596388 554977089 /nfs/dbraw/zinc/97/70/89/554977089.db2.gz YMBNXRGZZOZVNI-NXLSWJSLSA-N -1 1 608.097 5.890 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102597751 554977162 /nfs/dbraw/zinc/97/71/62/554977162.db2.gz RWDZHHAUIVRIPK-SBXHHDGASA-N -1 1 619.652 5.154 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102597106 554977188 /nfs/dbraw/zinc/97/71/88/554977188.db2.gz KLZICPNUCOCDTQ-NPJIAGGLSA-N -1 1 587.679 5.627 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102599281 554977518 /nfs/dbraw/zinc/97/75/18/554977518.db2.gz WIIYLGYALSDKOO-ZHHPLPSFSA-N -1 1 596.061 6.020 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000102602604 554977994 /nfs/dbraw/zinc/97/79/94/554977994.db2.gz UPSVQCFJHVINHM-ONQGDUAMSA-N -1 1 538.669 6.954 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102603668 554978135 /nfs/dbraw/zinc/97/81/35/554978135.db2.gz FWIIATRYOFKMDJ-IUKMQXEJSA-N -1 1 615.689 5.323 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102603949 554978243 /nfs/dbraw/zinc/97/82/43/554978243.db2.gz JSPULEZSPRKWOB-FPRSLYQBSA-N -1 1 572.658 6.954 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102603949 554978246 /nfs/dbraw/zinc/97/82/46/554978246.db2.gz JSPULEZSPRKWOB-FPRSLYQBSA-N -1 1 572.658 6.954 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC000102605900 554978716 /nfs/dbraw/zinc/97/87/16/554978716.db2.gz RYQRRBDWWULGDM-SBXHHDGASA-N -1 1 592.098 6.190 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000102606118 554978855 /nfs/dbraw/zinc/97/88/55/554978855.db2.gz VQCABXWELQQNRA-PUAOIOHZSA-N -1 1 549.649 5.386 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606106 554978883 /nfs/dbraw/zinc/97/88/83/554978883.db2.gz USXVVIXRXQXFSV-CPJLOUKISA-N -1 1 549.649 5.530 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606106 554978885 /nfs/dbraw/zinc/97/88/85/554978885.db2.gz USXVVIXRXQXFSV-CPJLOUKISA-N -1 1 549.649 5.530 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606150 554978977 /nfs/dbraw/zinc/97/89/77/554978977.db2.gz LXCINZNOEVGMHD-WGDIFIGCSA-N -1 1 563.676 5.921 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606150 554978979 /nfs/dbraw/zinc/97/89/79/554978979.db2.gz LXCINZNOEVGMHD-WGDIFIGCSA-N -1 1 563.676 5.921 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102608808 554980450 /nfs/dbraw/zinc/98/04/50/554980450.db2.gz QXAIZQWVOSSERS-AIKCTZLLSA-N -1 1 594.089 6.573 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000102614560 554984041 /nfs/dbraw/zinc/98/40/41/554984041.db2.gz AZKVQXXTGDGOGP-YDJIHCHBSA-N -1 1 502.832 5.893 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000102614862 554984239 /nfs/dbraw/zinc/98/42/39/554984239.db2.gz BEAOMPVNQLYSQI-NPJIAGGLSA-N -1 1 555.612 5.147 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102619189 554985772 /nfs/dbraw/zinc/98/57/72/554985772.db2.gz DWEBXNJBKJALQA-UUALVTFQSA-N -1 1 606.697 5.875 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102620984 554986781 /nfs/dbraw/zinc/98/67/81/554986781.db2.gz BWSBEXMACLPHON-CJJGVWJISA-N -1 1 620.152 7.005 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102620591 554986837 /nfs/dbraw/zinc/98/68/37/554986837.db2.gz MPHNXZIRBAMDLZ-WRPQUVRJSA-N -1 1 575.643 5.625 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102620600 554986869 /nfs/dbraw/zinc/98/68/69/554986869.db2.gz MPHNXZIRBAMDLZ-AIKCTZLLSA-N -1 1 575.643 5.625 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(OCCC)cc2)nc1C ZINC000102622259 554987380 /nfs/dbraw/zinc/98/73/80/554987380.db2.gz NRJWIBPSIUFSKM-VWLOTQADSA-N -1 1 576.671 6.073 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(OCCC)cc2)nc1C ZINC000102622257 554987392 /nfs/dbraw/zinc/98/73/92/554987392.db2.gz NRJWIBPSIUFSKM-RUZDIDTESA-N -1 1 576.671 6.073 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102623336 554987736 /nfs/dbraw/zinc/98/77/36/554987736.db2.gz AEYJXOUBPIMJEN-IUKMQXEJSA-N -1 1 562.644 5.621 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102624487 554987948 /nfs/dbraw/zinc/98/79/48/554987948.db2.gz OYUVONCGJOAIRR-CJJGVWJISA-N -1 1 619.696 6.156 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000102650741 554995639 /nfs/dbraw/zinc/99/56/39/554995639.db2.gz DKDFIBVSLPAKMF-TXTDGAROSA-N -1 1 628.703 6.159 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000102651911 554996249 /nfs/dbraw/zinc/99/62/49/554996249.db2.gz BTXSXCSASFVQMM-JFTLGNCFSA-N -1 1 528.586 5.350 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000102652741 554996854 /nfs/dbraw/zinc/99/68/54/554996854.db2.gz QNMGGBKRSFNCRR-CHDCXXRXSA-N -1 1 518.616 5.706 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102653931 554997380 /nfs/dbraw/zinc/99/73/80/554997380.db2.gz PLMMJNOPBRXDEX-WKUSSTJHSA-N -1 1 570.667 6.434 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102654585 554997703 /nfs/dbraw/zinc/99/77/03/554997703.db2.gz CFTDZQANBPBEHM-BBHOXHGRSA-N -1 1 500.551 5.694 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102654788 554997784 /nfs/dbraw/zinc/99/77/84/554997784.db2.gz OTCXKTNBYVXJDY-BBHOXHGRSA-N -1 1 561.457 6.317 50 30 KKEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102661412 555000526 /nfs/dbraw/zinc/00/05/26/555000526.db2.gz IQGNABCAQPINJZ-IUKMQXEJSA-N -1 1 544.585 5.101 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102661412 555000529 /nfs/dbraw/zinc/00/05/29/555000529.db2.gz IQGNABCAQPINJZ-IUKMQXEJSA-N -1 1 544.585 5.101 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000102667637 555001929 /nfs/dbraw/zinc/00/19/29/555001929.db2.gz DKXXGKSFOXWGCC-WOOAAIBNSA-N -1 1 514.719 5.032 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102677758 555004365 /nfs/dbraw/zinc/00/43/65/555004365.db2.gz NLEDXEDYSGBOAT-WGQAXHKASA-N -1 1 543.557 5.163 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102678544 555004839 /nfs/dbraw/zinc/00/48/39/555004839.db2.gz VJLBQZQUJWCPMJ-HDTBSZCESA-N -1 1 508.983 5.257 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000102694129 555009591 /nfs/dbraw/zinc/00/95/91/555009591.db2.gz BCTWYBKXENCARJ-BUANBSPESA-N -1 1 515.547 5.456 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102694655 555009770 /nfs/dbraw/zinc/00/97/70/555009770.db2.gz ZEMMNNBTMADIGX-IUKMQXEJSA-N -1 1 530.602 5.647 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000102695310 555010828 /nfs/dbraw/zinc/01/08/28/555010828.db2.gz ACZHMTFISZNXNG-SBXHHDGASA-N -1 1 542.573 5.268 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102696983 555011600 /nfs/dbraw/zinc/01/16/00/555011600.db2.gz QKMZNESQSNHSFS-ZHHPLPSFSA-N -1 1 504.995 6.147 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102696983 555011601 /nfs/dbraw/zinc/01/16/01/555011601.db2.gz QKMZNESQSNHSFS-ZHHPLPSFSA-N -1 1 504.995 6.147 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102703275 555013398 /nfs/dbraw/zinc/01/33/98/555013398.db2.gz HDIPAOWJGIRTHV-NPJIAGGLSA-N -1 1 546.601 5.265 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102703269 555013412 /nfs/dbraw/zinc/01/34/12/555013412.db2.gz HDIPAOWJGIRTHV-IUKMQXEJSA-N -1 1 546.601 5.265 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102705919 555014624 /nfs/dbraw/zinc/01/46/24/555014624.db2.gz PTIWNDBRCYGKPT-MRJHHRETSA-N -1 1 506.605 5.564 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102705919 555014627 /nfs/dbraw/zinc/01/46/27/555014627.db2.gz PTIWNDBRCYGKPT-MRJHHRETSA-N -1 1 506.605 5.564 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102706329 555014791 /nfs/dbraw/zinc/01/47/91/555014791.db2.gz CTIOSKPQSDBKAD-HOGKFDNTSA-N -1 1 506.605 5.564 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102706329 555014792 /nfs/dbraw/zinc/01/47/92/555014792.db2.gz CTIOSKPQSDBKAD-HOGKFDNTSA-N -1 1 506.605 5.564 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102706336 555014851 /nfs/dbraw/zinc/01/48/51/555014851.db2.gz WWNUFPQPKPOTPJ-ZHHPLPSFSA-N -1 1 504.564 5.485 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102707172 555015365 /nfs/dbraw/zinc/01/53/65/555015365.db2.gz AQEGPGJVAWDOAI-SBXHHDGASA-N -1 1 529.574 5.792 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102707172 555015367 /nfs/dbraw/zinc/01/53/67/555015367.db2.gz AQEGPGJVAWDOAI-SBXHHDGASA-N -1 1 529.574 5.792 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102709898 555016146 /nfs/dbraw/zinc/01/61/46/555016146.db2.gz AMAYZDHTHMIRNY-NXLSWJSLSA-N -1 1 514.603 5.811 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102711311 555016738 /nfs/dbraw/zinc/01/67/38/555016738.db2.gz PYUVVAGUTZDGQO-NPJIAGGLSA-N -1 1 517.050 7.262 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102711401 555016789 /nfs/dbraw/zinc/01/67/89/555016789.db2.gz IATIELKGORBCNB-SBXHHDGASA-N -1 1 530.602 5.511 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102715773 555018578 /nfs/dbraw/zinc/01/85/78/555018578.db2.gz LAGDYVNMNZGTAK-ZHHPLPSFSA-N -1 1 515.547 5.402 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102715773 555018580 /nfs/dbraw/zinc/01/85/80/555018580.db2.gz LAGDYVNMNZGTAK-ZHHPLPSFSA-N -1 1 515.547 5.402 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102715655 555018602 /nfs/dbraw/zinc/01/86/02/555018602.db2.gz GAECCLWPIJRYMC-IUKMQXEJSA-N -1 1 530.602 5.565 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102715704 555018617 /nfs/dbraw/zinc/01/86/17/555018617.db2.gz GJBCNQCUDZVPOI-DHJMZRGKSA-N -1 1 544.629 5.874 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000102722379 555020335 /nfs/dbraw/zinc/02/03/35/555020335.db2.gz BXOUXJGVUYHWIJ-ZHHPLPSFSA-N -1 1 549.446 6.311 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102734701 555025010 /nfs/dbraw/zinc/02/50/10/555025010.db2.gz IPJMHXLPKUYXJD-AYWGPLOBSA-N -1 1 531.546 5.156 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735492 555025458 /nfs/dbraw/zinc/02/54/58/555025458.db2.gz CEJVYLZAOQIIFB-VDGASQMCSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735492 555025460 /nfs/dbraw/zinc/02/54/60/555025460.db2.gz CEJVYLZAOQIIFB-VDGASQMCSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735499 555025492 /nfs/dbraw/zinc/02/54/92/555025492.db2.gz CEJVYLZAOQIIFB-IZSGBISHSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735499 555025494 /nfs/dbraw/zinc/02/54/94/555025494.db2.gz CEJVYLZAOQIIFB-IZSGBISHSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735565 555025783 /nfs/dbraw/zinc/02/57/83/555025783.db2.gz MVXYYBMZRJUPNX-YZUJGMDRSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735565 555025784 /nfs/dbraw/zinc/02/57/84/555025784.db2.gz MVXYYBMZRJUPNX-YZUJGMDRSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102735612 555025833 /nfs/dbraw/zinc/02/58/33/555025833.db2.gz AQEXSDXEEVLINK-YMCWBSDSSA-N -1 1 504.514 5.524 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102735535 555025859 /nfs/dbraw/zinc/02/58/59/555025859.db2.gz AKWSCRIRFNPPCA-RIEKNRFYSA-N -1 1 588.685 7.133 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102737011 555026370 /nfs/dbraw/zinc/02/63/70/555026370.db2.gz HZBMRQDECDMLNG-CGKJMNDRSA-N -1 1 557.584 5.553 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102770798 555058217 /nfs/dbraw/zinc/05/82/17/555058217.db2.gz POKKWNQXRAOCJH-FSISNWKMSA-N -1 1 551.451 6.861 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102771045 555059251 /nfs/dbraw/zinc/05/92/51/555059251.db2.gz MBJZNLIDCLIYCQ-HALAOQOWSA-N -1 1 517.006 6.208 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771062 555059325 /nfs/dbraw/zinc/05/93/25/555059325.db2.gz KMCXZOAGTOMQQS-XLNMUAQOSA-N -1 1 537.424 6.553 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102771097 555059443 /nfs/dbraw/zinc/05/94/43/555059443.db2.gz NEUPCNMNHRUGAP-BBHOXHGRSA-N -1 1 500.551 5.694 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771306 555060006 /nfs/dbraw/zinc/06/00/06/555060006.db2.gz GGOZJWHURATZQL-AIKCTZLLSA-N -1 1 610.544 7.087 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3)ccc2O1 ZINC000102771404 555060378 /nfs/dbraw/zinc/06/03/78/555060378.db2.gz VMZQADAWYFPICE-CSVYKXDMSA-N -1 1 502.979 5.899 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3)ccc2O1 ZINC000102771404 555060381 /nfs/dbraw/zinc/06/03/81/555060381.db2.gz VMZQADAWYFPICE-CSVYKXDMSA-N -1 1 502.979 5.899 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102858614 555089379 /nfs/dbraw/zinc/08/93/79/555089379.db2.gz WHOXZLUZWAOROY-ZZIWUOEGSA-N -1 1 518.566 5.696 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102858605 555089464 /nfs/dbraw/zinc/08/94/64/555089464.db2.gz QYUMPHVXVQYJHS-QKJBWNOYSA-N -1 1 560.628 5.574 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000102862122 555091986 /nfs/dbraw/zinc/09/19/86/555091986.db2.gz YNXNAERUWKKEIF-GHNGSUTGSA-N -1 1 545.386 5.156 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000102862222 555092318 /nfs/dbraw/zinc/09/23/18/555092318.db2.gz VDQABNRLQFWCAL-SBXHHDGASA-N -1 1 515.566 5.499 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102862318 555092333 /nfs/dbraw/zinc/09/23/33/555092333.db2.gz CXUTYIVVJTYLKS-NXLSWJSLSA-N -1 1 500.576 5.638 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102863922 555093520 /nfs/dbraw/zinc/09/35/20/555093520.db2.gz QIOPTIXIOAJOMV-UVDRRRQGSA-N -1 1 535.021 6.210 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102863545 555093530 /nfs/dbraw/zinc/09/35/30/555093530.db2.gz XUQKJTUUZXMKGI-SBXHHDGASA-N -1 1 510.974 5.840 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102864974 555094449 /nfs/dbraw/zinc/09/44/49/555094449.db2.gz VLTBVFSREKTOCZ-MOBKVPTQSA-N -1 1 506.352 5.252 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102864974 555094451 /nfs/dbraw/zinc/09/44/51/555094451.db2.gz VLTBVFSREKTOCZ-MOBKVPTQSA-N -1 1 506.352 5.252 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102865403 555094946 /nfs/dbraw/zinc/09/49/46/555094946.db2.gz AYQCGZJEZLEEAM-MOBKVPTQSA-N -1 1 522.604 5.400 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102866234 555095450 /nfs/dbraw/zinc/09/54/50/555095450.db2.gz SWYPGKNOVBZZIN-IUKMQXEJSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102866234 555095451 /nfs/dbraw/zinc/09/54/51/555095451.db2.gz SWYPGKNOVBZZIN-IUKMQXEJSA-N -1 1 546.601 5.347 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102866849 555095996 /nfs/dbraw/zinc/09/59/96/555095996.db2.gz JFNDIMOFRWZJEN-HAQIDCBSSA-N -1 1 528.586 5.269 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102866872 555096435 /nfs/dbraw/zinc/09/64/35/555096435.db2.gz AHEMDIMHMSFVOL-RFAFYKRUSA-N -1 1 542.613 5.653 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102867237 555096668 /nfs/dbraw/zinc/09/66/68/555096668.db2.gz KXUKOWRWRPGNAR-IKZPYDRGSA-N -1 1 556.640 6.043 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102868110 555097546 /nfs/dbraw/zinc/09/75/46/555097546.db2.gz CWNYWXMWKHZHJG-CJJGVWJISA-N -1 1 544.629 5.901 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102868452 555097943 /nfs/dbraw/zinc/09/79/43/555097943.db2.gz FGHHOLOFXRGPMS-CJJGVWJISA-N -1 1 520.582 5.586 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102869030 555098171 /nfs/dbraw/zinc/09/81/71/555098171.db2.gz XLAUWZKVJTVGLL-QNIVJUIWSA-N -1 1 512.587 5.563 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102869377 555098741 /nfs/dbraw/zinc/09/87/41/555098741.db2.gz DIIWPGNAYVFXFS-DDLGZMGRSA-N -1 1 554.668 6.652 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102869527 555099174 /nfs/dbraw/zinc/09/91/74/555099174.db2.gz MGQLZCVKHRLHEQ-TXTDGAROSA-N -1 1 602.665 5.890 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870035 555099674 /nfs/dbraw/zinc/09/96/74/555099674.db2.gz DINGZXPGZDTWAZ-FSDXSRJSSA-N -1 1 540.597 5.341 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102870173 555100413 /nfs/dbraw/zinc/10/04/13/555100413.db2.gz XVIZRDQQAZZLMS-WREUJOMVSA-N -1 1 618.711 7.224 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000102870453 555100717 /nfs/dbraw/zinc/10/07/17/555100717.db2.gz SXEFZNGVYUCMMG-CJJGVWJISA-N -1 1 558.612 5.491 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000102870453 555100719 /nfs/dbraw/zinc/10/07/19/555100719.db2.gz SXEFZNGVYUCMMG-CJJGVWJISA-N -1 1 558.612 5.491 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000102871345 555101912 /nfs/dbraw/zinc/10/19/12/555101912.db2.gz AUJMPQWYICKDBR-SBXHHDGASA-N -1 1 500.551 5.796 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102873890 555103986 /nfs/dbraw/zinc/10/39/86/555103986.db2.gz NNMXLJJJKUDOAV-NXLSWJSLSA-N -1 1 534.565 5.478 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102874941 555104825 /nfs/dbraw/zinc/10/48/25/555104825.db2.gz HZGOBLCYRHZELX-HOGKFDNTSA-N -1 1 520.538 5.088 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102877789 555107176 /nfs/dbraw/zinc/10/71/76/555107176.db2.gz IJIXAZOAGVFCFS-UVDRRRQGSA-N -1 1 530.602 5.565 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102879714 555108779 /nfs/dbraw/zinc/10/87/79/555108779.db2.gz XBIIYTMOIATXSP-AYWGPLOBSA-N -1 1 561.015 6.310 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102880145 555108944 /nfs/dbraw/zinc/10/89/44/555108944.db2.gz OFKUGTQSEKNOPM-NPJIAGGLSA-N -1 1 514.603 6.063 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102880148 555109031 /nfs/dbraw/zinc/10/90/31/555109031.db2.gz OFKUGTQSEKNOPM-IUKMQXEJSA-N -1 1 514.603 6.063 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102880757 555109522 /nfs/dbraw/zinc/10/95/22/555109522.db2.gz XJVLEWUUKQLWHB-SBXHHDGASA-N -1 1 500.595 6.668 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102882331 555110820 /nfs/dbraw/zinc/11/08/20/555110820.db2.gz BEKDGCSYYPRSCE-IAMBOQNYSA-N -1 1 509.414 6.846 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102882331 555110821 /nfs/dbraw/zinc/11/08/21/555110821.db2.gz BEKDGCSYYPRSCE-IAMBOQNYSA-N -1 1 509.414 6.846 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102882862 555111096 /nfs/dbraw/zinc/11/10/96/555111096.db2.gz WSYBYPDDOWEQBK-SBXHHDGASA-N -1 1 535.021 6.373 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102883657 555111904 /nfs/dbraw/zinc/11/19/04/555111904.db2.gz GPHGQMFRBNRSMD-AZIATFRCSA-N -1 1 626.775 7.831 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102883660 555111969 /nfs/dbraw/zinc/11/19/69/555111969.db2.gz GPHGQMFRBNRSMD-VSFGEHDGSA-N -1 1 626.775 7.831 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102883659 555112084 /nfs/dbraw/zinc/11/20/84/555112084.db2.gz GPHGQMFRBNRSMD-NMBCHZPXSA-N -1 1 626.775 7.831 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102883824 555112302 /nfs/dbraw/zinc/11/23/02/555112302.db2.gz GKKKHLFDZCVXIK-CNVPOXKWSA-N -1 1 612.748 7.296 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102884144 555112867 /nfs/dbraw/zinc/11/28/67/555112867.db2.gz VFOLQLCHSYQTJW-YDJIHCHBSA-N -1 1 525.811 6.339 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102884409 555113507 /nfs/dbraw/zinc/11/35/07/555113507.db2.gz URQDIUNGHVBFOQ-AMKIGSDESA-N -1 1 526.614 5.953 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000102884625 555113715 /nfs/dbraw/zinc/11/37/15/555113715.db2.gz DBHLQGAQTNWJOV-JVJOXMINSA-N -1 1 620.724 6.011 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000102884625 555113717 /nfs/dbraw/zinc/11/37/17/555113717.db2.gz DBHLQGAQTNWJOV-JVJOXMINSA-N -1 1 620.724 6.011 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102885007 555114891 /nfs/dbraw/zinc/11/48/91/555114891.db2.gz ITTVUIGMSANNNE-XVTRYDTASA-N -1 1 526.614 5.953 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102885279 555115492 /nfs/dbraw/zinc/11/54/92/555115492.db2.gz FIVLAIXJIVHWCR-NXLSWJSLSA-N -1 1 549.004 5.746 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102885370 555115558 /nfs/dbraw/zinc/11/55/58/555115558.db2.gz MIVRXKBUTRHKOW-NXLSWJSLSA-N -1 1 514.559 5.011 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000102885820 555116083 /nfs/dbraw/zinc/11/60/83/555116083.db2.gz WYDDNMHFRWZNDT-UUALVTFQSA-N -1 1 510.546 5.587 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000102885820 555116084 /nfs/dbraw/zinc/11/60/84/555116084.db2.gz WYDDNMHFRWZNDT-UUALVTFQSA-N -1 1 510.546 5.587 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102886302 555116680 /nfs/dbraw/zinc/11/66/80/555116680.db2.gz QFWIUGHNMRRFKI-AYWGPLOBSA-N -1 1 502.523 5.141 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102886302 555116682 /nfs/dbraw/zinc/11/66/82/555116682.db2.gz QFWIUGHNMRRFKI-AYWGPLOBSA-N -1 1 502.523 5.141 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102886342 555116967 /nfs/dbraw/zinc/11/69/67/555116967.db2.gz LVUDUIBMLLOXQG-HTUFKCTLSA-N -1 1 570.623 5.431 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102886342 555116969 /nfs/dbraw/zinc/11/69/69/555116969.db2.gz LVUDUIBMLLOXQG-HTUFKCTLSA-N -1 1 570.623 5.431 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102887327 555118953 /nfs/dbraw/zinc/11/89/53/555118953.db2.gz XFDOTNDIYJSVSS-WBMUNJTESA-N -1 1 592.670 5.375 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102887327 555118956 /nfs/dbraw/zinc/11/89/56/555118956.db2.gz XFDOTNDIYJSVSS-WBMUNJTESA-N -1 1 592.670 5.375 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000102887362 555119283 /nfs/dbraw/zinc/11/92/83/555119283.db2.gz MXSGMNPGGXBBAC-LOOKCOSASA-N -1 1 629.760 6.578 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000102887390 555119321 /nfs/dbraw/zinc/11/93/21/555119321.db2.gz OZTDYJQKQYADMJ-HAQIDCBSSA-N -1 1 528.586 5.350 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(O)cc2)o1 ZINC000102887498 555119524 /nfs/dbraw/zinc/11/95/24/555119524.db2.gz WXFYOHQSEAPWGK-YDJIHCHBSA-N -1 1 505.577 5.064 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102887803 555120186 /nfs/dbraw/zinc/12/01/86/555120186.db2.gz JLYOKVIJEMEGHU-ZLYDLHQSSA-N -1 1 599.734 6.569 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888173 555120708 /nfs/dbraw/zinc/12/07/08/555120708.db2.gz LUCRLSAIIVDYBP-DDLSXHCZSA-N -1 1 598.721 7.214 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102888079 555120865 /nfs/dbraw/zinc/12/08/65/555120865.db2.gz RULBUNOIEMKQIE-CGKJMNDRSA-N -1 1 528.586 5.263 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102888238 555121127 /nfs/dbraw/zinc/12/11/27/555121127.db2.gz RJMHYKFXRBVHFH-VGZNNGDKSA-N -1 1 598.721 7.214 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102888352 555121410 /nfs/dbraw/zinc/12/14/10/555121410.db2.gz RSYXPQOEMXIMBO-GAPOMRBKSA-N -1 1 542.613 5.709 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102888625 555121730 /nfs/dbraw/zinc/12/17/30/555121730.db2.gz YBLJCKVYHLNPIU-JVJOXMINSA-N -1 1 617.724 6.708 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102888718 555122191 /nfs/dbraw/zinc/12/21/91/555122191.db2.gz YXWXHEFLFVVDTP-AYWGPLOBSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102888718 555122194 /nfs/dbraw/zinc/12/21/94/555122194.db2.gz YXWXHEFLFVVDTP-AYWGPLOBSA-N -1 1 504.539 5.387 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102888879 555122475 /nfs/dbraw/zinc/12/24/75/555122475.db2.gz DFIQWXFXKAMDTH-JLPDLQRYSA-N -1 1 599.734 6.487 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102888873 555122524 /nfs/dbraw/zinc/12/25/24/555122524.db2.gz DFIQWXFXKAMDTH-KXDYMIPJSA-N -1 1 599.734 6.487 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102888958 555122911 /nfs/dbraw/zinc/12/29/11/555122911.db2.gz KNSUYLYMJSHKMK-PNHZJWGWSA-N -1 1 532.618 5.311 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102889736 555124242 /nfs/dbraw/zinc/12/42/42/555124242.db2.gz SMDXLISVZLECHP-HWTUVFLMSA-N -1 1 584.694 6.824 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102889731 555124275 /nfs/dbraw/zinc/12/42/75/555124275.db2.gz SMDXLISVZLECHP-LHKMDIPOSA-N -1 1 584.694 6.824 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102889733 555124329 /nfs/dbraw/zinc/12/43/29/555124329.db2.gz SMDXLISVZLECHP-QMDVFYPZSA-N -1 1 584.694 6.824 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102889985 555124792 /nfs/dbraw/zinc/12/47/92/555124792.db2.gz DTYQITUPGDXSBY-SSELITHESA-N -1 1 576.671 5.791 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102889985 555124795 /nfs/dbraw/zinc/12/47/95/555124795.db2.gz DTYQITUPGDXSBY-SSELITHESA-N -1 1 576.671 5.791 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102890601 555125782 /nfs/dbraw/zinc/12/57/82/555125782.db2.gz QAPIOLNGDNHQKY-SBXHHDGASA-N -1 1 593.455 5.855 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000102890691 555125919 /nfs/dbraw/zinc/12/59/19/555125919.db2.gz IPNLVASIYZKNPW-DFXXOVSGSA-N -1 1 602.665 5.890 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000102890691 555125923 /nfs/dbraw/zinc/12/59/23/555125923.db2.gz IPNLVASIYZKNPW-DFXXOVSGSA-N -1 1 602.665 5.890 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102890804 555126181 /nfs/dbraw/zinc/12/61/81/555126181.db2.gz USCHGNKNXKGUAN-YZUJGMDRSA-N -1 1 616.711 7.353 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102890804 555126184 /nfs/dbraw/zinc/12/61/84/555126184.db2.gz USCHGNKNXKGUAN-YZUJGMDRSA-N -1 1 616.711 7.353 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102890902 555126547 /nfs/dbraw/zinc/12/65/47/555126547.db2.gz XXAALVHKIUZJNO-NXLSWJSLSA-N -1 1 578.643 5.205 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102891093 555126806 /nfs/dbraw/zinc/12/68/06/555126806.db2.gz AIVIMROTDBANQX-WKUSSTJHSA-N -1 1 554.668 6.768 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102892336 555128380 /nfs/dbraw/zinc/12/83/80/555128380.db2.gz URNKHSBUPCXBEN-HALAOQOWSA-N -1 1 532.618 5.393 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102892466 555128696 /nfs/dbraw/zinc/12/86/96/555128696.db2.gz XOSZUOHTEKFQFC-QNIVJUIWSA-N -1 1 512.587 5.563 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102892459 555128722 /nfs/dbraw/zinc/12/87/22/555128722.db2.gz RFWLPLWKLGRLBS-NHFXJNLRSA-N -1 1 508.571 5.301 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102892459 555128723 /nfs/dbraw/zinc/12/87/23/555128723.db2.gz RFWLPLWKLGRLBS-NHFXJNLRSA-N -1 1 508.571 5.301 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102892468 555128760 /nfs/dbraw/zinc/12/87/60/555128760.db2.gz XOSZUOHTEKFQFC-OGHRCCBNSA-N -1 1 512.587 5.563 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102893107 555129886 /nfs/dbraw/zinc/12/98/86/555129886.db2.gz QPJQNKNTCAZHCV-FSDXSRJSSA-N -1 1 617.680 5.706 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102894569 555132498 /nfs/dbraw/zinc/13/24/98/555132498.db2.gz OJGCSHQZMQWPKO-PLWHFILJSA-N -1 1 585.707 6.179 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894473 555132610 /nfs/dbraw/zinc/13/26/10/555132610.db2.gz AZTXZJNFHMQUIO-SSELITHESA-N -1 1 561.059 6.688 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894473 555132613 /nfs/dbraw/zinc/13/26/13/555132613.db2.gz AZTXZJNFHMQUIO-SSELITHESA-N -1 1 561.059 6.688 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102894952 555133396 /nfs/dbraw/zinc/13/33/96/555133396.db2.gz GKRGJUMFTXSWCZ-SLPYKNDMSA-N -1 1 600.693 6.498 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895297 555134085 /nfs/dbraw/zinc/13/40/85/555134085.db2.gz PIZAIKGBJNXDET-GMBUILNLSA-N -1 1 533.005 5.908 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895297 555134088 /nfs/dbraw/zinc/13/40/88/555134088.db2.gz PIZAIKGBJNXDET-GMBUILNLSA-N -1 1 533.005 5.908 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102895728 555134887 /nfs/dbraw/zinc/13/48/87/555134887.db2.gz ICFCGXWZFNCMMB-NYFCFKJUSA-N -1 1 619.139 7.477 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102895931 555135527 /nfs/dbraw/zinc/13/55/27/555135527.db2.gz YUOJAGQCIDNURX-QMNXYOJKSA-N -1 1 598.721 7.132 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000102896375 555136309 /nfs/dbraw/zinc/13/63/09/555136309.db2.gz GDMNMSWSHAUXTE-OFNYXUPYSA-N -1 1 556.640 6.043 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102896940 555137225 /nfs/dbraw/zinc/13/72/25/555137225.db2.gz XREWHHYBQWEBBW-JRPVAJNPSA-N -1 1 562.644 5.401 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102896940 555137229 /nfs/dbraw/zinc/13/72/29/555137229.db2.gz XREWHHYBQWEBBW-JRPVAJNPSA-N -1 1 562.644 5.401 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102899534 555139442 /nfs/dbraw/zinc/13/94/42/555139442.db2.gz SLZPCADTYOCITQ-JFTLGNCFSA-N -1 1 547.032 6.298 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102899537 555139496 /nfs/dbraw/zinc/13/94/96/555139496.db2.gz SLZPCADTYOCITQ-JRPVAJNPSA-N -1 1 547.032 6.298 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102925050 555149377 /nfs/dbraw/zinc/14/93/77/555149377.db2.gz JRLQBPCKLQQCMT-NPJIAGGLSA-N -1 1 530.602 5.647 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102925296 555149427 /nfs/dbraw/zinc/14/94/27/555149427.db2.gz VKIMLZIWLKZUOU-ZZIWUOEGSA-N -1 1 519.022 6.592 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102925301 555149667 /nfs/dbraw/zinc/14/96/67/555149667.db2.gz VKIMLZIWLKZUOU-UVDRRRQGSA-N -1 1 519.022 6.592 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102928620 555154221 /nfs/dbraw/zinc/15/42/21/555154221.db2.gz AQAHPOPMAQDSMF-AYWGPLOBSA-N -1 1 504.564 5.621 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102929457 555155309 /nfs/dbraw/zinc/15/53/09/555155309.db2.gz HHSNYPPHAOPFJY-MOBKVPTQSA-N -1 1 506.605 5.782 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102929685 555155522 /nfs/dbraw/zinc/15/55/22/555155522.db2.gz DZHBHQLEOBIKCH-ZZIWUOEGSA-N -1 1 529.574 5.846 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102929791 555155799 /nfs/dbraw/zinc/15/57/99/555155799.db2.gz UKKORBBHMFSLRY-AYWGPLOBSA-N -1 1 504.539 5.469 50 30 KKEAMM O=[N+]([O-])c1ccc(N=NC(Cc2ccccc2)Cc2ccccc2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000102982678 555188751 /nfs/dbraw/zinc/18/87/51/555188751.db2.gz HMDTYVIKEJTCBS-UHFFFAOYSA-N -1 1 535.025 6.302 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100735446 571361162 /nfs/dbraw/zinc/36/11/62/571361162.db2.gz RSIJXDUPSVRKHF-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100735446 571361163 /nfs/dbraw/zinc/36/11/63/571361163.db2.gz RSIJXDUPSVRKHF-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000103928916 571369903 /nfs/dbraw/zinc/36/99/03/571369903.db2.gz IXIGOZMKYFEVSS-NHFXJNLRSA-N -1 1 561.443 5.878 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000103928939 571370200 /nfs/dbraw/zinc/37/02/00/571370200.db2.gz ZPBGISYAMUSIJQ-NHFXJNLRSA-N -1 1 571.449 5.334 50 30 KKEAMM Cc1c(Cl)c(C)c(/C=N/c2ccc(Cc3ccc(/N=C/c4c(C)c(Cl)c(C)c(Br)c4O)cc3)cc2)c([O-])c1Br ZINC000150352602 571462601 /nfs/dbraw/zinc/46/26/01/571462601.db2.gz ADPVWAOZCFKHHS-QZNRPPMOSA-N -1 1 689.275 10.255 50 30 KKEAMM CC1(C)[C@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000150413166 571484784 /nfs/dbraw/zinc/48/47/84/571484784.db2.gz LTADMUNPSAKPHW-QFIPXVFZSA-N -1 1 634.499 8.213 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150417981 571486232 /nfs/dbraw/zinc/48/62/32/571486232.db2.gz TXXGUTZXZZNULC-ONQGDUAMSA-N -1 1 631.732 6.025 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150417975 571486265 /nfs/dbraw/zinc/48/62/65/571486265.db2.gz TXXGUTZXZZNULC-UUALVTFQSA-N -1 1 631.732 6.025 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150418196 571486409 /nfs/dbraw/zinc/48/64/09/571486409.db2.gz IECSAWRQOZEICZ-FPRSLYQBSA-N -1 1 664.205 7.231 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000150424599 571489371 /nfs/dbraw/zinc/48/93/71/571489371.db2.gz XJUWVZQRZBIWQF-JNYBUSFRSA-N -1 1 689.831 7.743 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000150424931 571489591 /nfs/dbraw/zinc/48/95/91/571489591.db2.gz DLLDVSBPYIPKPC-CYRRUZCLSA-N -1 1 721.901 8.757 50 30 KKEAMM CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000150431428 571493735 /nfs/dbraw/zinc/49/37/35/571493735.db2.gz WWVUDFZEXNEXHX-LJAQVGFWSA-N -1 1 650.794 7.558 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000150433065 571494549 /nfs/dbraw/zinc/49/45/49/571494549.db2.gz ZYZIQJPQVZUCFM-JOCHJYFZSA-N -1 1 650.905 6.627 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150435212 571495228 /nfs/dbraw/zinc/49/52/28/571495228.db2.gz OONYXFYLFHRRNU-CZNAVJSXSA-N -1 1 654.597 7.658 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150435424 571495588 /nfs/dbraw/zinc/49/55/88/571495588.db2.gz KMDPUFFMEZVRFZ-CYNIHOGXSA-N -1 1 646.765 7.841 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435824 571495695 /nfs/dbraw/zinc/49/56/95/571495695.db2.gz QESWFICZRKWJDI-AHPONGEQSA-N -1 1 655.128 7.325 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000150435780 571495730 /nfs/dbraw/zinc/49/57/30/571495730.db2.gz JMKZGBZYOJWNMA-KFLIVHAJSA-N -1 1 728.248 7.859 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000150435792 571495843 /nfs/dbraw/zinc/49/58/43/571495843.db2.gz APLJYLUXTBNVOF-KFLIVHAJSA-N -1 1 762.693 8.512 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435842 571496100 /nfs/dbraw/zinc/49/61/00/571496100.db2.gz RWTAJAJKOCXJDZ-RJIUIVJKSA-N -1 1 664.736 7.070 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435842 571496101 /nfs/dbraw/zinc/49/61/01/571496101.db2.gz RWTAJAJKOCXJDZ-RJIUIVJKSA-N -1 1 664.736 7.070 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150441783 571498526 /nfs/dbraw/zinc/49/85/26/571498526.db2.gz HIQIBUARVMFXSE-NBXYUPGTSA-N -1 1 682.223 8.013 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150445209 571500180 /nfs/dbraw/zinc/50/01/80/571500180.db2.gz FFRKMZWTZWKYLW-HDTBSZCESA-N -1 1 629.485 5.055 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150445402 571500375 /nfs/dbraw/zinc/50/03/75/571500375.db2.gz JXVYXVFWMZFTCT-GSYBUTJLSA-N -1 1 657.814 7.276 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150445304 571500418 /nfs/dbraw/zinc/50/04/18/571500418.db2.gz DUCWJVUCEVKFER-ONQGDUAMSA-N -1 1 636.723 5.849 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150445407 571500466 /nfs/dbraw/zinc/50/04/66/571500466.db2.gz JXVYXVFWMZFTCT-WENCHWOGSA-N -1 1 657.814 7.276 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445569 571500641 /nfs/dbraw/zinc/50/06/41/571500641.db2.gz LAAMMYNYDCEMFW-VXJPNWOUSA-N -1 1 662.233 8.003 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445856 571500762 /nfs/dbraw/zinc/50/07/62/571500762.db2.gz OFZMUGYCGMCRGQ-DNNDWWBDSA-N -1 1 662.233 8.003 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445566 571500772 /nfs/dbraw/zinc/50/07/72/571500772.db2.gz LAAMMYNYDCEMFW-QJGFIUGVSA-N -1 1 662.233 8.003 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000150447145 571501110 /nfs/dbraw/zinc/50/11/10/571501110.db2.gz DXCCCYBYGDXQKC-JOCHJYFZSA-N -1 1 660.911 6.083 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000150448823 571501679 /nfs/dbraw/zinc/50/16/79/571501679.db2.gz FNNBOMBCALBAGJ-WGGXKBPPSA-N -1 1 640.714 6.325 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453804 571503812 /nfs/dbraw/zinc/50/38/12/571503812.db2.gz OFSFZJIZXPIFLN-GXKLCEICSA-N -1 1 648.737 7.232 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453804 571503813 /nfs/dbraw/zinc/50/38/13/571503813.db2.gz OFSFZJIZXPIFLN-GXKLCEICSA-N -1 1 648.737 7.232 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150456361 571504538 /nfs/dbraw/zinc/50/45/38/571504538.db2.gz HEGBMJYEKCELLC-CFQDGGCTSA-N -1 1 672.759 8.100 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000150457045 571504824 /nfs/dbraw/zinc/50/48/24/571504824.db2.gz FZIFKBJLIYHAAG-WREUJOMVSA-N -1 1 642.774 7.612 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457403 571504996 /nfs/dbraw/zinc/50/49/96/571504996.db2.gz GOTFXUMMRMZYHF-QBCYBHDASA-N -1 1 641.771 6.744 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000150458796 571505565 /nfs/dbraw/zinc/50/55/65/571505565.db2.gz FVOAECDJDNKZBH-MIOXIQPJSA-N -1 1 640.714 6.325 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150459183 571505689 /nfs/dbraw/zinc/50/56/89/571505689.db2.gz DKYTYDLUXGBXFD-JNYBUSFRSA-N -1 1 665.768 7.498 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150462860 571506694 /nfs/dbraw/zinc/50/66/94/571506694.db2.gz GDOOMUPVZBWQEQ-XRDGOKTRSA-N -1 1 634.710 6.842 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150462860 571506695 /nfs/dbraw/zinc/50/66/95/571506695.db2.gz GDOOMUPVZBWQEQ-XRDGOKTRSA-N -1 1 634.710 6.842 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150462797 571506712 /nfs/dbraw/zinc/50/67/12/571506712.db2.gz MVXUFUWGMRNRTA-VDBNUPDGSA-N -1 1 671.841 7.748 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150462762 571506745 /nfs/dbraw/zinc/50/67/45/571506745.db2.gz RXELSXPDPPZQLN-JNYBUSFRSA-N -1 1 682.223 8.013 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150463395 571507197 /nfs/dbraw/zinc/50/71/97/571507197.db2.gz NAZIKHTWASDAMV-PLQDCEFPSA-N -1 1 685.868 8.056 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150467637 571508243 /nfs/dbraw/zinc/50/82/43/571508243.db2.gz REQYMQIYYXRQBN-IUKMQXEJSA-N -1 1 656.569 6.933 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000150470213 571509244 /nfs/dbraw/zinc/50/92/44/571509244.db2.gz KIYSKAQPCKRGKO-MIOXIQPJSA-N -1 1 643.787 6.961 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150472462 571509984 /nfs/dbraw/zinc/50/99/84/571509984.db2.gz DEXMIHRCJXSOCU-UUALVTFQSA-N -1 1 650.178 7.060 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150472772 571510117 /nfs/dbraw/zinc/51/01/17/571510117.db2.gz QQRZUGDTNAWCKG-TXTDGAROSA-N -1 1 678.188 6.845 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000150479556 571511795 /nfs/dbraw/zinc/51/17/95/571511795.db2.gz GIMMAIRSRUTFIJ-QMMFTLRZSA-N -1 1 684.195 7.460 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150480963 571512278 /nfs/dbraw/zinc/51/22/78/571512278.db2.gz DEPFJGMSBRVXGD-MIOXIQPJSA-N -1 1 659.786 6.806 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150481368 571512552 /nfs/dbraw/zinc/51/25/52/571512552.db2.gz IKCPSXMSZSRKNV-LLAWDOGUSA-N -1 1 668.624 7.876 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150482913 571513641 /nfs/dbraw/zinc/51/36/41/571513641.db2.gz XRYRFNCECYHCES-TXTDGAROSA-N -1 1 647.750 6.792 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150484893 571515478 /nfs/dbraw/zinc/51/54/78/571515478.db2.gz JSDQHWDQKBHQLC-AHPONGEQSA-N -1 1 687.840 7.504 50 30 KKEAMM Cc1nc(-c2ccccc2)sc1C(=O)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000150485470 571515874 /nfs/dbraw/zinc/51/58/74/571515874.db2.gz OGWJJCRSRVDVRV-UUWRZZSWSA-N -1 1 738.916 9.777 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000150600503 571522549 /nfs/dbraw/zinc/52/25/49/571522549.db2.gz SEXQYTHSXJHLGB-SANMLTNESA-N -1 1 628.663 6.822 50 30 KKEAMM C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)cc1OC ZINC000217617843 571601819 /nfs/dbraw/zinc/60/18/19/571601819.db2.gz LBRJLXKPXIYOQQ-GOSISDBHSA-N -1 1 530.529 5.284 50 30 biogenic KKEAMM [O-]c1c(Br)cc(Br)cc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000238997398 572190068 /nfs/dbraw/zinc/19/00/68/572190068.db2.gz AFNZFILSRBBQNY-UHFFFAOYSA-N -1 1 527.260 5.639 50 30 KKEAMM COc1ccc2c(c1)N(C)/C(=C1/SC(=Nc3c([O-])ccc4ccccc43)N(C3CCCCC3)C1=O)S2 ZINC000252625537 572270404 /nfs/dbraw/zinc/27/04/04/572270404.db2.gz QMFSYEDDKISPON-DSIDLZBXSA-N -1 1 517.676 6.861 50 30 KKEAMM COc1cc(-c2ccc(N=Cc3cc(I)cc(I)c3O)c(OC)c2)ccc1N=Cc1cc(I)cc(I)c1[O-] ZINC000252640949 572272345 /nfs/dbraw/zinc/27/23/45/572272345.db2.gz YYIUTKFMFDKCPY-UHFFFAOYSA-N -1 1 956.094 8.702 50 30 KKEAMM COc1cccc(N=C2C(=O)c3c4c5c(C)c([O-])c3C(=O)C2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O5)C4=O)c1 ZINC000253387615 572282536 /nfs/dbraw/zinc/28/25/36/572282536.db2.gz FZGBMGVZTSXDFW-CFMWXENESA-N -1 1 816.901 5.079 50 30 KKEAMM C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(Cl)cc4)coc-3c21 ZINC000253412387 572288037 /nfs/dbraw/zinc/28/80/37/572288037.db2.gz QVQQZFDSZCCDHR-LJQANCHMSA-N -1 1 518.949 6.224 50 30 KKEAMM CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-] ZINC000102190983 1069701285 /nfs/dbraw/zinc/70/12/85/1069701285.db2.gz QOJBRSNGFBBNKT-IZLXSDGUSA-N -1 1 637.792 7.219 50 30 KKEAMM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2cc(Br)c([O-])c(Br)c2)C[C@H]1C ZINC000604404063 1071268518 /nfs/dbraw/zinc/26/85/18/1071268518.db2.gz AXCBYICCOBUONG-CLTRCRFRSA-N -1 1 587.648 5.507 50 30 KKEAMM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)C[C@H]1C ZINC000604406394 1071273733 /nfs/dbraw/zinc/27/37/33/1071273733.db2.gz WLQLRZOZZRPKJR-MUWSIPGASA-N -1 1 581.408 6.443 50 30 KKEAMM C=C(C)COc1ccc([C@@H]2c3c(=O)[n-]n(C(C)C)c3NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC000824567075 1071282120 /nfs/dbraw/zinc/28/21/20/1071282120.db2.gz IQFPKLGWUCJRJX-XXVJPEFISA-N -1 1 620.102 6.230 50 30 KKEAMM C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccc(OC)c(O)c4)oc-3c21 ZINC000217874604 1071292621 /nfs/dbraw/zinc/29/26/21/1071292621.db2.gz CXSDZJAIUFOBNK-SFHVURJKSA-N -1 1 500.503 5.276 50 30 biogenic KKEAMM CCC(N=Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000254398347 1072852607 /nfs/dbraw/zinc/85/26/07/1072852607.db2.gz NTRCMFIFPXUKMK-UHFFFAOYSA-N -1 1 520.514 5.232 50 30 KKEAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000254491337 1072858557 /nfs/dbraw/zinc/85/85/57/1072858557.db2.gz HZBMCXMOOUICJE-UHFFFAOYSA-N -1 1 544.618 5.756 50 30 KKEAMM COc1ccc([N-]S(=O)(=O)c2cccc(N=C3C=C(c4ccccc4)[C@](O)(c4ccccc4)C3)c2)cc1 ZINC000254877332 1072888406 /nfs/dbraw/zinc/88/84/06/1072888406.db2.gz GPXVXPDRLPALHB-SSEXGKCCSA-N -1 1 510.615 5.944 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000000633318 551505671 /nfs/dbraw/zinc/50/56/71/551505671.db2.gz UUQDUTKUWVNSJG-DEOSSOPVSA-N -1 1 513.575 5.820 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000000635402 551506097 /nfs/dbraw/zinc/50/60/97/551506097.db2.gz RHXYNOXOVLTHGL-JOCHJYFZSA-N -1 1 520.607 5.427 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000000635402 551506098 /nfs/dbraw/zinc/50/60/98/551506098.db2.gz RHXYNOXOVLTHGL-JOCHJYFZSA-N -1 1 520.607 5.427 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000000702942 551529833 /nfs/dbraw/zinc/52/98/33/551529833.db2.gz VCGGMRRONIMNJB-MUUNZHRXSA-N -1 1 594.645 6.771 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000000720347 551536876 /nfs/dbraw/zinc/53/68/76/551536876.db2.gz OVJISNFBOFEAQE-QHCPKHFHSA-N -1 1 536.378 5.336 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000000720347 551536877 /nfs/dbraw/zinc/53/68/77/551536877.db2.gz OVJISNFBOFEAQE-QHCPKHFHSA-N -1 1 536.378 5.336 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)ccc1O ZINC000000720153 551536891 /nfs/dbraw/zinc/53/68/91/551536891.db2.gz DJXXFQVNMAHYHH-QHCPKHFHSA-N -1 1 508.368 5.645 50 30 KKEAMM COc1ccccc1[C@@H]1c2c(=O)[n-]c(SCc3ccccc3Cl)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000000958605 551589786 /nfs/dbraw/zinc/58/97/86/551589786.db2.gz NJYZNHQRDVGEQS-NRFANRHFSA-N -1 1 508.043 6.337 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccncc2)cc1 ZINC000001268782 551634353 /nfs/dbraw/zinc/63/43/53/551634353.db2.gz ONZSTRMVESGJJF-UVDDSOTQSA-N -1 1 523.633 6.145 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccncc2)cc1 ZINC000001268780 551634406 /nfs/dbraw/zinc/63/44/06/551634406.db2.gz ONZSTRMVESGJJF-JPZYQRIQSA-N -1 1 523.633 6.145 50 30 KKEAMM CC1(C)SC(=S)N(/N=C/c2c[nH]c3ccccc23)[C@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001288015 551636994 /nfs/dbraw/zinc/63/69/94/551636994.db2.gz XFJQFZDJLUIVQA-CVHZQBDDSA-N -1 1 508.456 6.170 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001321712 551641833 /nfs/dbraw/zinc/64/18/33/551641833.db2.gz KDEJRUYPPHGUQM-JPZYQRIQSA-N -1 1 554.599 5.247 50 30 biogenic KKEAMM COc1cc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001322622 551642035 /nfs/dbraw/zinc/64/20/35/551642035.db2.gz YHQQUHQUFYMXJY-CQGGRAHPSA-N -1 1 546.576 5.071 50 30 biogenic KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001446916 551674252 /nfs/dbraw/zinc/67/42/52/551674252.db2.gz BVFFHAARAWYPLJ-QFIPXVFZSA-N -1 1 538.528 5.383 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000001450211 551675321 /nfs/dbraw/zinc/67/53/21/551675321.db2.gz ZZLNEZNJEGZHQZ-FQEVSTJZSA-N -1 1 525.380 5.833 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000001451082 551675641 /nfs/dbraw/zinc/67/56/41/551675641.db2.gz QQBIHKWFXHYNHC-XMMPIXPASA-N -1 1 518.591 5.950 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000001451423 551675939 /nfs/dbraw/zinc/67/59/39/551675939.db2.gz RLOXKQHPWLZZQO-AREMUKBSSA-N -1 1 574.655 6.039 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)c1 ZINC000001451416 551675949 /nfs/dbraw/zinc/67/59/49/551675949.db2.gz RTUGQSZSPYDAJR-DEOSSOPVSA-N -1 1 530.602 5.722 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)cc1C ZINC000001451424 551675982 /nfs/dbraw/zinc/67/59/82/551675982.db2.gz YSVCNPPUYNKYTM-VWLOTQADSA-N -1 1 544.629 6.030 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001451970 551676485 /nfs/dbraw/zinc/67/64/85/551676485.db2.gz LZRFEJBBNDASBW-VWLOTQADSA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001451970 551676489 /nfs/dbraw/zinc/67/64/89/551676489.db2.gz LZRFEJBBNDASBW-VWLOTQADSA-N -1 1 546.601 5.504 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc(Br)cc1 ZINC000001469795 551680138 /nfs/dbraw/zinc/68/01/38/551680138.db2.gz CXBOZMZXETWROU-JOCHJYFZSA-N -1 1 533.403 6.481 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001479911 551681173 /nfs/dbraw/zinc/68/11/73/551681173.db2.gz YKGMWRSITJVVCZ-DEOSSOPVSA-N -1 1 581.046 6.157 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001479909 551681196 /nfs/dbraw/zinc/68/11/96/551681196.db2.gz QWOAAVLAMDNHIC-DEOSSOPVSA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001479909 551681198 /nfs/dbraw/zinc/68/11/98/551681198.db2.gz QWOAAVLAMDNHIC-DEOSSOPVSA-N -1 1 546.601 5.504 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001480142 551681512 /nfs/dbraw/zinc/68/15/12/551681512.db2.gz ACKKMNPYNWPJAL-DEOSSOPVSA-N -1 1 532.574 5.114 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001480142 551681514 /nfs/dbraw/zinc/68/15/14/551681514.db2.gz ACKKMNPYNWPJAL-DEOSSOPVSA-N -1 1 532.574 5.114 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001479988 551681525 /nfs/dbraw/zinc/68/15/25/551681525.db2.gz SYCKZGKFNVKGBF-XMMPIXPASA-N -1 1 546.601 5.422 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001479987 551681626 /nfs/dbraw/zinc/68/16/26/551681626.db2.gz SYCKZGKFNVKGBF-DEOSSOPVSA-N -1 1 546.601 5.422 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000001480651 551681823 /nfs/dbraw/zinc/68/18/23/551681823.db2.gz XIEBFLYYRNZLRU-DEOSSOPVSA-N -1 1 528.586 5.491 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000001480697 551681978 /nfs/dbraw/zinc/68/19/78/551681978.db2.gz XIWBQXLGDVDRNL-IBGZPJMESA-N -1 1 527.421 5.912 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480851 551682301 /nfs/dbraw/zinc/68/23/01/551682301.db2.gz QBIDJEZRVNWVCS-XMMPIXPASA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480851 551682303 /nfs/dbraw/zinc/68/23/03/551682303.db2.gz QBIDJEZRVNWVCS-XMMPIXPASA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480872 551682349 /nfs/dbraw/zinc/68/23/49/551682349.db2.gz QGSXRWRUSZLVIM-DEOSSOPVSA-N -1 1 564.591 5.643 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000001482272 551682619 /nfs/dbraw/zinc/68/26/19/551682619.db2.gz KQRBFQFXLVSKEA-XMMPIXPASA-N -1 1 530.602 5.804 50 30 KKEAMM CCCCCCCCn1c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(=O)c2ccccc21 ZINC000002291074 552088136 /nfs/dbraw/zinc/08/81/36/552088136.db2.gz ZLZXTHVSAWOKBX-UHFFFAOYSA-N -1 1 539.701 7.905 50 30 KKEAMM [O-]c1c(Br)cc(Br)cc1/C=N/N1CCN(Cc2cccc3ccccc32)CC1 ZINC000002352973 552100492 /nfs/dbraw/zinc/10/04/92/552100492.db2.gz PJPZQKKBYWKUAM-AFUMVMLFSA-N -1 1 503.238 5.222 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000002719416 552163691 /nfs/dbraw/zinc/16/36/91/552163691.db2.gz IZKPSXVMBDFEOM-HHHXNRCGSA-N -1 1 549.696 7.254 50 30 KKEAMM Cc1ccc(S(=O)(=O)/N=C(\[O-])c2c(-c3ccccc3)c3c4n2cc(-c2ccc(Br)cc2)n4CCCC3)cc1 ZINC000003213946 552305991 /nfs/dbraw/zinc/30/59/91/552305991.db2.gz AFQGBPPJKXTDSV-UHFFFAOYSA-N -1 1 588.527 7.176 50 30 KKEAMM N#CCCN(C(=O)CSc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1)c1ccccc1 ZINC000003222559 552311016 /nfs/dbraw/zinc/31/10/16/552311016.db2.gz QUBYUSZCJBYXQQ-UHFFFAOYSA-N -1 1 527.027 5.321 50 30 KKEAMM [O-]c1c(Br)cc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c(O)c1Br ZINC000004017842 552428809 /nfs/dbraw/zinc/42/88/09/552428809.db2.gz LKWXFQQTGKTKBL-NUGSKGIGSA-N -1 1 520.202 6.356 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793744 552485633 /nfs/dbraw/zinc/48/56/33/552485633.db2.gz FFWHPRQGTBZSDE-NRFANRHFSA-N -1 1 518.595 5.592 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000005355376 552498549 /nfs/dbraw/zinc/49/85/49/552498549.db2.gz FRQXSEBTQZLAED-QHCPKHFHSA-N -1 1 550.633 5.517 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000005355465 552498578 /nfs/dbraw/zinc/49/85/78/552498578.db2.gz UKDHYFXGXGGTPC-HSZRJFAPSA-N -1 1 534.634 5.817 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000005355465 552498581 /nfs/dbraw/zinc/49/85/81/552498581.db2.gz UKDHYFXGXGGTPC-HSZRJFAPSA-N -1 1 534.634 5.817 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000005355361 552498701 /nfs/dbraw/zinc/49/87/01/552498701.db2.gz KBXTXZFXTNAADZ-DEOSSOPVSA-N -1 1 580.659 5.613 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005355707 552498979 /nfs/dbraw/zinc/49/89/79/552498979.db2.gz FMIDGHKECXYUNX-VWLOTQADSA-N -1 1 554.624 6.512 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005355707 552498982 /nfs/dbraw/zinc/49/89/82/552498982.db2.gz FMIDGHKECXYUNX-VWLOTQADSA-N -1 1 554.624 6.512 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000005357081 552499233 /nfs/dbraw/zinc/49/92/33/552499233.db2.gz LOLVDACRJBULKH-VWLOTQADSA-N -1 1 560.672 6.408 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005356997 552499343 /nfs/dbraw/zinc/49/93/43/552499343.db2.gz SZCRBHAESOYHCM-HSZRJFAPSA-N -1 1 561.015 6.467 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)c(C)c1 ZINC000005357398 552499637 /nfs/dbraw/zinc/49/96/37/552499637.db2.gz LMMOMRWOZMBOFO-NRFANRHFSA-N -1 1 539.009 5.548 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000005357315 552499700 /nfs/dbraw/zinc/49/97/00/552499700.db2.gz HRKZQJUARKGBLA-JOCHJYFZSA-N -1 1 536.581 5.423 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000005357326 552499777 /nfs/dbraw/zinc/49/97/77/552499777.db2.gz HRKZQJUARKGBLA-QFIPXVFZSA-N -1 1 536.581 5.423 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005357302 552499796 /nfs/dbraw/zinc/49/97/96/552499796.db2.gz RWJVTNXHKHVYCF-VWLOTQADSA-N -1 1 574.655 5.849 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000005402310 552501426 /nfs/dbraw/zinc/50/14/26/552501426.db2.gz NCTQHJXXJHVCMG-SANMLTNESA-N -1 1 617.705 6.273 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000005917841 552511421 /nfs/dbraw/zinc/51/14/21/552511421.db2.gz RIGRLGROSULFMB-FQEVSTJZSA-N -1 1 512.462 6.570 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000005919230 552512331 /nfs/dbraw/zinc/51/23/31/552512331.db2.gz BXTXINXLYAHZEE-QFIPXVFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000005919230 552512335 /nfs/dbraw/zinc/51/23/35/552512335.db2.gz BXTXINXLYAHZEE-QFIPXVFZSA-N -1 1 536.606 5.127 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000005927775 552513090 /nfs/dbraw/zinc/51/30/90/552513090.db2.gz WKLUHGOCNWUOCW-QFIPXVFZSA-N -1 1 553.036 5.938 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1cccc(Br)c1 ZINC000006143579 552545210 /nfs/dbraw/zinc/54/52/10/552545210.db2.gz SVQFFAQERGYPBJ-HXUWFJFHSA-N -1 1 540.458 6.164 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000006143931 552545419 /nfs/dbraw/zinc/54/54/19/552545419.db2.gz QXWULKYLVBTWDX-QFIPXVFZSA-N -1 1 503.967 6.075 50 30 KKEAMM COc1ccc(Nc2nc(N=NCc3cc(Cl)cc(Cl)c3[O-])nc(NCc3ccco3)n2)cc1 ZINC000006156939 552552510 /nfs/dbraw/zinc/55/25/10/552552510.db2.gz CONRFRGMWNQKOQ-KBKYJPHKSA-N -1 1 500.346 5.287 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccccc1 ZINC000008383382 552986526 /nfs/dbraw/zinc/98/65/26/552986526.db2.gz ULECHWDGEWYFGS-HHHXNRCGSA-N -1 1 575.671 7.513 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000008383419 552986612 /nfs/dbraw/zinc/98/66/12/552986612.db2.gz IAWGWGDLNACLOJ-RUZDIDTESA-N -1 1 588.110 7.575 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000008383469 552986846 /nfs/dbraw/zinc/98/68/46/552986846.db2.gz XLJWUSNPSKSDKO-RUZDIDTESA-N -1 1 571.655 7.061 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(N(C)C)cc3)s2)cc1 ZINC000008384025 552988679 /nfs/dbraw/zinc/98/86/79/552988679.db2.gz LOHKNIYOWYKEOM-SANMLTNESA-N -1 1 582.707 6.734 50 30 KKEAMM COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccc(F)c2)cc(OC)c1OC ZINC000008432428 553026087 /nfs/dbraw/zinc/02/60/87/553026087.db2.gz ATWFLZVWWLZNAF-RQZFFVEVSA-N -1 1 574.605 5.617 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008441060 553039247 /nfs/dbraw/zinc/03/92/47/553039247.db2.gz IPYRJRNPYBSGED-VWLOTQADSA-N -1 1 531.077 7.593 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000008441133 553039576 /nfs/dbraw/zinc/03/95/76/553039576.db2.gz IJVASGSORHPDMI-AREMUKBSSA-N -1 1 574.655 6.761 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441069 553039618 /nfs/dbraw/zinc/03/96/18/553039618.db2.gz CLUDXZJPTMVKLP-QFIPXVFZSA-N -1 1 537.410 6.543 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000008441219 553039941 /nfs/dbraw/zinc/03/99/41/553039941.db2.gz XMHVTWLLKTVENA-GDLZYMKVSA-N -1 1 641.771 7.937 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000008441685 553041430 /nfs/dbraw/zinc/04/14/30/553041430.db2.gz PZCQYAYBDQVSLM-XMMPIXPASA-N -1 1 559.441 7.205 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000008441685 553041432 /nfs/dbraw/zinc/04/14/32/553041432.db2.gz PZCQYAYBDQVSLM-XMMPIXPASA-N -1 1 559.441 7.205 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000008441661 553041534 /nfs/dbraw/zinc/04/15/34/553041534.db2.gz JQDKNKVDMXXZNE-LJAQVGFWSA-N -1 1 582.678 7.711 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000008441720 553041911 /nfs/dbraw/zinc/04/19/11/553041911.db2.gz JXTGXXXREJJVRE-LJAQVGFWSA-N -1 1 582.678 7.630 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441743 553042222 /nfs/dbraw/zinc/04/22/22/553042222.db2.gz NWKJHYWXSBMUFL-DEOSSOPVSA-N -1 1 575.440 6.987 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441786 553042343 /nfs/dbraw/zinc/04/23/43/553042343.db2.gz CZKCMKZKBLTHIF-WJOKGBTCSA-N -1 1 647.778 8.692 50 30 KKEAMM CN(C)c1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441795 553042413 /nfs/dbraw/zinc/04/24/13/553042413.db2.gz MFXXQVHLQNVGPO-GDLZYMKVSA-N -1 1 618.740 7.579 50 30 KKEAMM CN(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441795 553042415 /nfs/dbraw/zinc/04/24/15/553042415.db2.gz MFXXQVHLQNVGPO-GDLZYMKVSA-N -1 1 618.740 7.579 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441789 553042424 /nfs/dbraw/zinc/04/24/24/553042424.db2.gz VHMGFMOLLAKZNJ-SSEXGKCCSA-N -1 1 631.735 8.078 50 30 KKEAMM CCCCCCCSc1nc(=O)c(-c2ccccc2NC=C2C(C)=NN(c3ccccc3)C2=O)n[n-]1 ZINC000008442524 553043895 /nfs/dbraw/zinc/04/38/95/553043895.db2.gz JVNKMCUNTYPBIS-PYCFMQQDSA-N -1 1 502.644 5.613 50 30 KKEAMM CCCCCCCSc1nc(=O)c(-c2ccccc2N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)n[n-]1 ZINC000008442524 553043897 /nfs/dbraw/zinc/04/38/97/553043897.db2.gz JVNKMCUNTYPBIS-PYCFMQQDSA-N -1 1 502.644 5.613 50 30 KKEAMM C/C=C/Cc1c(C)nc(SCc2c(C(=O)OCC)c3cc([O-])c(Br)cc3n2C)c(C#N)c1C ZINC000008442746 553044306 /nfs/dbraw/zinc/04/43/06/553044306.db2.gz FCXIPUKAFYOFSF-SOFGYWHQSA-N -1 1 528.472 6.118 50 30 KKEAMM O=C(NCc1ccccc1Cl)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)cc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000008576313 553078409 /nfs/dbraw/zinc/07/84/09/553078409.db2.gz ZOFSREGMKSVXOO-UHFFFAOYSA-N -1 1 592.045 5.725 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008738668 553130951 /nfs/dbraw/zinc/13/09/51/553130951.db2.gz ZAXFZEJSQQUCBL-XMMPIXPASA-N -1 1 500.576 5.713 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008740600 553132132 /nfs/dbraw/zinc/13/21/32/553132132.db2.gz RIMNAEXJUSJPHX-QHCPKHFHSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008740600 553132133 /nfs/dbraw/zinc/13/21/33/553132133.db2.gz RIMNAEXJUSJPHX-QHCPKHFHSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000008740612 553132196 /nfs/dbraw/zinc/13/21/96/553132196.db2.gz YFORXSNOEFIIDQ-DEOSSOPVSA-N -1 1 500.576 5.713 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000008741003 553132401 /nfs/dbraw/zinc/13/24/01/553132401.db2.gz UZDODZWHTCEZHX-HXUWFJFHSA-N -1 1 509.381 5.997 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008743354 553133538 /nfs/dbraw/zinc/13/35/38/553133538.db2.gz IDGOCQGLQQYRSG-QHCPKHFHSA-N -1 1 500.576 5.659 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccccc3F)sc2c1 ZINC000008817886 553153101 /nfs/dbraw/zinc/15/31/01/553153101.db2.gz JJSYZBTZHYGDLE-QHCPKHFHSA-N -1 1 504.539 5.626 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000008827794 553156993 /nfs/dbraw/zinc/15/69/93/553156993.db2.gz XULUFLHLTVOAIM-IBGZPJMESA-N -1 1 503.736 5.190 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000008845736 553165774 /nfs/dbraw/zinc/16/57/74/553165774.db2.gz FVGXIPKEBQJGLU-VOIUYBSRSA-N -1 1 519.623 5.522 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000008845736 553165775 /nfs/dbraw/zinc/16/57/75/553165775.db2.gz FVGXIPKEBQJGLU-VOIUYBSRSA-N -1 1 519.623 5.522 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)c1 ZINC000008846430 553166291 /nfs/dbraw/zinc/16/62/91/553166291.db2.gz ZIZNRDRXYNZBRS-QFIPXVFZSA-N -1 1 512.787 6.202 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)c1 ZINC000008846430 553166295 /nfs/dbraw/zinc/16/62/95/553166295.db2.gz ZIZNRDRXYNZBRS-QFIPXVFZSA-N -1 1 512.787 6.202 50 30 KKEAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccs2)cc1 ZINC000008857503 553168268 /nfs/dbraw/zinc/16/82/68/553168268.db2.gz KGEXVVPEHJTOJQ-KWMCUTETSA-N -1 1 502.592 5.522 50 30 KKEAMM [O-]c1ccc(Br)cc1/C=N/c1nc(-c2ccc(Cl)cc2)cn1/N=C/c1ccc(Cl)cc1Cl ZINC000008873010 553174659 /nfs/dbraw/zinc/17/46/59/553174659.db2.gz PUFIAAXMGXIFNE-VBNCLUCLSA-N -1 1 548.655 7.611 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1 ZINC000008892677 553176762 /nfs/dbraw/zinc/17/67/62/553176762.db2.gz AIEWEWZERRYHON-NRFANRHFSA-N -1 1 522.554 5.115 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008894381 553177560 /nfs/dbraw/zinc/17/75/60/553177560.db2.gz FZQOEOXYEJCOAA-JOCHJYFZSA-N -1 1 503.511 5.689 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000008894948 553178123 /nfs/dbraw/zinc/17/81/23/553178123.db2.gz LOZVBPMQPZIROO-HSZRJFAPSA-N -1 1 515.547 5.613 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000008895099 553178247 /nfs/dbraw/zinc/17/82/47/553178247.db2.gz JNDGNYPSUAOIFY-NRFANRHFSA-N -1 1 506.580 5.118 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000008895099 553178249 /nfs/dbraw/zinc/17/82/49/553178249.db2.gz JNDGNYPSUAOIFY-NRFANRHFSA-N -1 1 506.580 5.118 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000008904074 553183239 /nfs/dbraw/zinc/18/32/39/553183239.db2.gz HUJFKUPOBCZULD-XMMPIXPASA-N -1 1 500.576 5.795 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000008904765 553183717 /nfs/dbraw/zinc/18/37/17/553183717.db2.gz OALPKFYTQWTLTG-QHCPKHFHSA-N -1 1 502.548 5.105 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000008921010 553189511 /nfs/dbraw/zinc/18/95/11/553189511.db2.gz ZRCHZUMPFRWHOT-XMMPIXPASA-N -1 1 516.575 5.495 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000008921225 553189667 /nfs/dbraw/zinc/18/96/67/553189667.db2.gz IUFFTLQWVXMURO-IBGZPJMESA-N -1 1 511.422 6.212 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008934716 553192915 /nfs/dbraw/zinc/19/29/15/553192915.db2.gz 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CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009123741 553212548 /nfs/dbraw/zinc/21/25/48/553212548.db2.gz TXLLBMNJJKSNRJ-XMMPIXPASA-N -1 1 519.022 6.748 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009124401 553212812 /nfs/dbraw/zinc/21/28/12/553212812.db2.gz NCJOJARWCHXDDD-SHACYNPGSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009124401 553212814 /nfs/dbraw/zinc/21/28/14/553212814.db2.gz NCJOJARWCHXDDD-SHACYNPGSA-N -1 1 516.550 5.550 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2Cl)no1 ZINC000009186652 553217688 /nfs/dbraw/zinc/21/76/88/553217688.db2.gz BURYFSGWUQDQKY-HXUWFJFHSA-N -1 1 515.791 6.171 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3)sc2c1 ZINC000009242399 553226238 /nfs/dbraw/zinc/22/62/38/553226238.db2.gz DPMNCOOJGPQREK-DEOSSOPVSA-N -1 1 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Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000009412442 553257553 /nfs/dbraw/zinc/25/75/53/553257553.db2.gz GBNOKNXWHVKBOG-OWJWWREXSA-N -1 1 517.006 6.364 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)sc2c1 ZINC000009460797 553266946 /nfs/dbraw/zinc/26/69/46/553266946.db2.gz ZEMQXHJTSPXASY-LMKMVOKYSA-N -1 1 512.587 5.801 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccs2)cc1 ZINC000009461234 553267619 /nfs/dbraw/zinc/26/76/19/553267619.db2.gz IRAILGPBRGGKPX-IBGZPJMESA-N -1 1 512.609 5.261 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000009463306 553268889 /nfs/dbraw/zinc/26/88/89/553268889.db2.gz UFQSCUHBUJPFST-AREMUKBSSA-N -1 1 525.630 6.079 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000009510941 553276376 /nfs/dbraw/zinc/27/63/76/553276376.db2.gz NFCXIDHYKKJBGH-SHACYNPGSA-N -1 1 514.559 5.117 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000013551272 553470425 /nfs/dbraw/zinc/47/04/25/553470425.db2.gz OOUPVPAJAIXGKK-OAQYLSRUSA-N -1 1 506.580 5.037 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000013552531 553470915 /nfs/dbraw/zinc/47/09/15/553470915.db2.gz YKVPOMIZWSEFAO-JOCHJYFZSA-N -1 1 506.605 5.720 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000013552531 553470918 /nfs/dbraw/zinc/47/09/18/553470918.db2.gz YKVPOMIZWSEFAO-JOCHJYFZSA-N -1 1 506.605 5.720 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1 ZINC000016729522 553575577 /nfs/dbraw/zinc/57/55/77/553575577.db2.gz XWTAXIREUVLUAZ-QFIPXVFZSA-N -1 1 520.607 5.590 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccncc4)[C@@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000016736511 553579065 /nfs/dbraw/zinc/57/90/65/553579065.db2.gz ZIXOVIOHAYCLJK-SANMLTNESA-N -1 1 527.646 6.516 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000016742282 553580162 /nfs/dbraw/zinc/58/01/62/553580162.db2.gz XXXJXWKBAOZVSS-IBGZPJMESA-N -1 1 508.939 5.421 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016805239 553582817 /nfs/dbraw/zinc/58/28/17/553582817.db2.gz ULTQXMVLTFUQKX-HXUWFJFHSA-N -1 1 518.422 6.115 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccnc3)s2)cc1 ZINC000016806223 553583170 /nfs/dbraw/zinc/58/31/70/553583170.db2.gz SYTXNDSPKONHII-JOCHJYFZSA-N -1 1 514.632 5.625 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000016807376 553583520 /nfs/dbraw/zinc/58/35/20/553583520.db2.gz DXRZUGNFOFOZCH-SANMLTNESA-N -1 1 527.646 6.660 50 30 KKEAMM CC(C)c1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017113625 553588259 /nfs/dbraw/zinc/58/82/59/553588259.db2.gz RQEJXHCOOKBMRW-JOCHJYFZSA-N -1 1 502.596 6.071 50 30 KKEAMM COc1cccc([C@@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000017242328 553590934 /nfs/dbraw/zinc/59/09/34/553590934.db2.gz YLVVPIASAKMSIF-NRFANRHFSA-N -1 1 518.595 5.592 50 30 KKEAMM O=C(Nc1cccc(/N=C\c2cc(Cc3ccccc3)cc(Br)c2[O-])c1)c1ccccc1Cl ZINC000096026161 553723661 /nfs/dbraw/zinc/72/36/61/553723661.db2.gz ABRDQBARZHHBCI-LQNQUEJISA-N -1 1 519.826 7.402 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000097951496 553809364 /nfs/dbraw/zinc/80/93/64/553809364.db2.gz HDNDIWJYHUFFHP-QFIPXVFZSA-N -1 1 528.439 5.414 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000097951676 553810493 /nfs/dbraw/zinc/81/04/93/553810493.db2.gz WQQFUUGCAOKPIB-FQEVSTJZSA-N -1 1 536.731 6.904 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097951798 553811456 /nfs/dbraw/zinc/81/14/56/553811456.db2.gz KUXLOLRLRNEDQJ-JOCHJYFZSA-N -1 1 522.604 5.557 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097951808 553811531 /nfs/dbraw/zinc/81/15/31/553811531.db2.gz KQIFXGIMSLPUJU-DEOSSOPVSA-N -1 1 535.021 6.367 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000097952234 553814184 /nfs/dbraw/zinc/81/41/84/553814184.db2.gz JDNKZCCRVKGQNO-XMMPIXPASA-N -1 1 542.573 5.425 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000097952460 553816029 /nfs/dbraw/zinc/81/60/29/553816029.db2.gz NWFUKUVNOONRFT-DEOSSOPVSA-N -1 1 529.574 5.949 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000097952460 553816031 /nfs/dbraw/zinc/81/60/31/553816031.db2.gz NWFUKUVNOONRFT-DEOSSOPVSA-N -1 1 529.574 5.949 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000097952459 553816048 /nfs/dbraw/zinc/81/60/48/553816048.db2.gz NWFUKUVNOONRFT-XMMPIXPASA-N -1 1 529.574 5.949 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000097952459 553816050 /nfs/dbraw/zinc/81/60/50/553816050.db2.gz NWFUKUVNOONRFT-XMMPIXPASA-N -1 1 529.574 5.949 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097952483 553816094 /nfs/dbraw/zinc/81/60/94/553816094.db2.gz MSESIILBIKYWGF-JOCHJYFZSA-N -1 1 519.966 6.203 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)c1 ZINC000097952539 553816683 /nfs/dbraw/zinc/81/66/83/553816683.db2.gz BAEDKALXBVIVJU-QHCPKHFHSA-N -1 1 549.446 6.467 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccs3)sc2c1 ZINC000097954032 553820892 /nfs/dbraw/zinc/82/08/92/553820892.db2.gz XJXDNXBSXVXVHM-JOCHJYFZSA-N -1 1 520.588 5.311 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000027021712 553824328 /nfs/dbraw/zinc/82/43/28/553824328.db2.gz KXOOWKBLBSCGDB-FQEVSTJZSA-N -1 1 502.621 5.624 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000097954907 553826470 /nfs/dbraw/zinc/82/64/70/553826470.db2.gz QSNIEWFIDBHETG-HSZRJFAPSA-N -1 1 534.634 5.817 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097954998 553827106 /nfs/dbraw/zinc/82/71/06/553827106.db2.gz ZSTPJSPASHUBDN-OWJWWREXSA-N -1 1 532.618 5.549 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955059 553827825 /nfs/dbraw/zinc/82/78/25/553827825.db2.gz COHFWDCMQFYUEK-ZAMGYDSWSA-N -1 1 537.424 6.709 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097955039 553827873 /nfs/dbraw/zinc/82/78/73/553827873.db2.gz KFSUTYYSYOISJL-PUAOIOHZSA-N -1 1 546.645 5.939 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097955047 553827975 /nfs/dbraw/zinc/82/79/75/553827975.db2.gz SYPFXUZTYMJRLX-AREMUKBSSA-N -1 1 600.649 5.623 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000097955103 553828760 /nfs/dbraw/zinc/82/87/60/553828760.db2.gz WGCVCFRTSUQHMQ-CHAGWJKLSA-N -1 1 572.639 5.906 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000097955142 553829019 /nfs/dbraw/zinc/82/90/19/553829019.db2.gz QUUDKXHWTWMLFU-YEJXKQKISA-N -1 1 539.009 5.388 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955176 553829365 /nfs/dbraw/zinc/82/93/65/553829365.db2.gz HPVCZNGJTYIQHD-HWRSSNJWSA-N -1 1 563.031 6.160 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955176 553829367 /nfs/dbraw/zinc/82/93/67/553829367.db2.gz HPVCZNGJTYIQHD-HWRSSNJWSA-N -1 1 563.031 6.160 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097955214 553829876 /nfs/dbraw/zinc/82/98/76/553829876.db2.gz VQDGUISJXRILPG-SSEXGKCCSA-N -1 1 641.101 7.091 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000097955258 553830223 /nfs/dbraw/zinc/83/02/23/553830223.db2.gz MPKQYPFDDFPIID-LJAQVGFWSA-N -1 1 608.716 7.027 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955293 553831001 /nfs/dbraw/zinc/83/10/01/553831001.db2.gz XIKOBSVLTLOWBK-MRDQGFSESA-N -1 1 526.614 6.110 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(O)cc2)s1 ZINC000027529799 553831639 /nfs/dbraw/zinc/83/16/39/553831639.db2.gz SRKMRNJDRDZIAM-XMMPIXPASA-N -1 1 513.575 5.222 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097955589 553831686 /nfs/dbraw/zinc/83/16/86/553831686.db2.gz QQCDUDFYYCPZCB-RUZDIDTESA-N -1 1 606.653 5.146 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097955575 553831696 /nfs/dbraw/zinc/83/16/96/553831696.db2.gz BCXKJKDPMIIDIU-BZQUYTCOSA-N -1 1 547.032 6.455 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955585 553831701 /nfs/dbraw/zinc/83/17/01/553831701.db2.gz BMTLFIBQJUPEDI-DNOBIOAJSA-N -1 1 538.625 6.276 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955584 553831719 /nfs/dbraw/zinc/83/17/19/553831719.db2.gz BMTLFIBQJUPEDI-MYUZEXMDSA-N -1 1 538.625 6.276 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000097955607 553832032 /nfs/dbraw/zinc/83/20/32/553832032.db2.gz CQVJWPJZRJXPRD-ZLOXQWCVSA-N -1 1 531.521 5.450 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000097955625 553832061 /nfs/dbraw/zinc/83/20/61/553832061.db2.gz ZQNINOHOGRILDT-SGANQWHYSA-N -1 1 528.586 5.420 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000097955652 553832524 /nfs/dbraw/zinc/83/25/24/553832524.db2.gz NHZNUWPSSODBAE-IVCQMTBJSA-N -1 1 541.585 5.928 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955682 553832731 /nfs/dbraw/zinc/83/27/31/553832731.db2.gz OXBUWBPABFFGEW-CLYVBNDRSA-N -1 1 540.641 6.500 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955719 553833094 /nfs/dbraw/zinc/83/30/94/553833094.db2.gz CUFKJRYYJSMKSC-MYUZEXMDSA-N -1 1 540.641 6.500 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955721 553833099 /nfs/dbraw/zinc/83/30/99/553833099.db2.gz OFJJFZRERNPNDG-NPMXOYFQSA-N -1 1 548.617 5.133 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955721 553833101 /nfs/dbraw/zinc/83/31/01/553833101.db2.gz OFJJFZRERNPNDG-NPMXOYFQSA-N -1 1 548.617 5.133 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(CC)cc3)sc2c1 ZINC000097955761 553833588 /nfs/dbraw/zinc/83/35/88/553833588.db2.gz BJMZJEDYOKHQIT-SOKVYYICSA-N -1 1 540.641 6.364 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097955791 553833855 /nfs/dbraw/zinc/83/38/55/553833855.db2.gz GETVYBZIOJYVHW-WJOKGBTCSA-N -1 1 628.747 7.435 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097955792 553833864 /nfs/dbraw/zinc/83/38/64/553833864.db2.gz GETVYBZIOJYVHW-HKBQPEDESA-N -1 1 628.747 7.435 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000097955844 553834697 /nfs/dbraw/zinc/83/46/97/553834697.db2.gz LLTBIZLPLMRARC-SGANQWHYSA-N -1 1 528.586 5.507 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097956208 553836669 /nfs/dbraw/zinc/83/66/69/553836669.db2.gz XRHXACZBACVSFO-WXTAPIANSA-N -1 1 524.598 5.828 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097956208 553836673 /nfs/dbraw/zinc/83/66/73/553836673.db2.gz XRHXACZBACVSFO-WXTAPIANSA-N -1 1 524.598 5.828 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097956234 553836991 /nfs/dbraw/zinc/83/69/91/553836991.db2.gz HQUYXDKPWGFUHU-DWXRJYCRSA-N -1 1 524.598 5.828 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097956234 553836993 /nfs/dbraw/zinc/83/69/93/553836993.db2.gz HQUYXDKPWGFUHU-DWXRJYCRSA-N -1 1 524.598 5.828 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097956215 553837055 /nfs/dbraw/zinc/83/70/55/553837055.db2.gz BMOHUNAANDOMDA-QUGAMOGWSA-N -1 1 539.613 5.532 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097956215 553837057 /nfs/dbraw/zinc/83/70/57/553837057.db2.gz BMOHUNAANDOMDA-QUGAMOGWSA-N -1 1 539.613 5.532 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097956212 553837072 /nfs/dbraw/zinc/83/70/72/553837072.db2.gz BMOHUNAANDOMDA-MRDQGFSESA-N -1 1 539.613 5.532 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097956212 553837076 /nfs/dbraw/zinc/83/70/76/553837076.db2.gz BMOHUNAANDOMDA-MRDQGFSESA-N -1 1 539.613 5.532 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097956557 553839435 /nfs/dbraw/zinc/83/94/35/553839435.db2.gz FXSFLJYGLYTHIK-QMTYFTJSSA-N -1 1 542.588 6.107 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097956557 553839436 /nfs/dbraw/zinc/83/94/36/553839436.db2.gz FXSFLJYGLYTHIK-QMTYFTJSSA-N -1 1 542.588 6.107 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000097956817 553842361 /nfs/dbraw/zinc/84/23/61/553842361.db2.gz OJQVLTLBSLQJGJ-DEOSSOPVSA-N -1 1 544.629 5.759 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956839 553842686 /nfs/dbraw/zinc/84/26/86/553842686.db2.gz ZGSFMKKPYNXSGJ-SANMLTNESA-N -1 1 584.650 6.520 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCC=C)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097956882 553842907 /nfs/dbraw/zinc/84/29/07/553842907.db2.gz SFHUZFFOARXPEK-DEOSSOPVSA-N -1 1 560.628 5.459 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097956882 553842910 /nfs/dbraw/zinc/84/29/10/553842910.db2.gz SFHUZFFOARXPEK-DEOSSOPVSA-N -1 1 560.628 5.459 50 30 KKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)cc2)cc1C ZINC000032666626 553872878 /nfs/dbraw/zinc/87/28/78/553872878.db2.gz QNLMYUGOGMKCIV-PKAZHMFMSA-N -1 1 518.635 5.142 50 30 KKEAMM [O-]c1c(I)cc(Br)cc1/C=N/CC/N=C/c1cc(Br)cc(I)c1O ZINC000097960962 553874789 /nfs/dbraw/zinc/87/47/89/553874789.db2.gz XDWLHAOOMICNGG-KVJLFNRQSA-N -1 1 677.900 5.370 50 30 KKEAMM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000097966764 553909974 /nfs/dbraw/zinc/90/99/74/553909974.db2.gz ZGHGHFROYVJYFM-FQEVSTJZSA-N -1 1 557.194 5.693 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000097966886 553911458 /nfs/dbraw/zinc/91/14/58/553911458.db2.gz NMZIUOXAAOTMEZ-JOCHJYFZSA-N -1 1 555.052 6.160 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000097967193 553914752 /nfs/dbraw/zinc/91/47/52/553914752.db2.gz AIOOEXAQUWPODR-MHZLTWQESA-N -1 1 598.652 6.604 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967239 553915714 /nfs/dbraw/zinc/91/57/14/553915714.db2.gz ZEWSBWXRXLWYKX-PPGPUPIYSA-N -1 1 648.737 7.389 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967239 553915716 /nfs/dbraw/zinc/91/57/16/553915716.db2.gz ZEWSBWXRXLWYKX-PPGPUPIYSA-N -1 1 648.737 7.389 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967263 553915810 /nfs/dbraw/zinc/91/58/10/553915810.db2.gz UCUBHESGQFBZIC-MRDQGFSESA-N -1 1 620.152 6.989 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967280 553916130 /nfs/dbraw/zinc/91/61/30/553916130.db2.gz DZQMKVZQHDQYQY-IVCQMTBJSA-N -1 1 589.670 6.084 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097967272 553916426 /nfs/dbraw/zinc/91/64/26/553916426.db2.gz GHOPCFOADZDUFM-WRGVRERRSA-N -1 1 598.721 7.207 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967300 553916820 /nfs/dbraw/zinc/91/68/20/553916820.db2.gz PATINVOWOKZNQQ-SONOPUAISA-N -1 1 678.232 7.778 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097967352 553917208 /nfs/dbraw/zinc/91/72/08/553917208.db2.gz QLFOLMPTJOGJJF-GDLZYMKVSA-N -1 1 611.075 7.083 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097967354 553917294 /nfs/dbraw/zinc/91/72/94/553917294.db2.gz UDSGTUDCCRWRIG-HSZRJFAPSA-N -1 1 553.423 6.466 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097967342 553917315 /nfs/dbraw/zinc/91/73/15/553917315.db2.gz NILAEUQPCJKQOY-GDLZYMKVSA-N -1 1 656.713 6.160 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097967421 553918151 /nfs/dbraw/zinc/91/81/51/553918151.db2.gz HIXXGNBIZKZUEG-SANMLTNESA-N -1 1 604.681 5.917 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967605 553920546 /nfs/dbraw/zinc/92/05/46/553920546.db2.gz YFLJRCRWEHLJFX-WRONEBCDSA-N -1 1 645.778 7.501 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967584 553920637 /nfs/dbraw/zinc/92/06/37/553920637.db2.gz OZZFDJUTXAIBRU-YHAMSUFESA-N -1 1 559.043 6.621 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967584 553920639 /nfs/dbraw/zinc/92/06/39/553920639.db2.gz OZZFDJUTXAIBRU-YHAMSUFESA-N -1 1 559.043 6.621 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097967588 553920646 /nfs/dbraw/zinc/92/06/46/553920646.db2.gz JLXAYMFFMKXVDE-NSYGIPOTSA-N -1 1 576.671 5.913 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097967588 553920650 /nfs/dbraw/zinc/92/06/50/553920650.db2.gz JLXAYMFFMKXVDE-NSYGIPOTSA-N -1 1 576.671 5.913 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097967616 553921125 /nfs/dbraw/zinc/92/11/25/553921125.db2.gz MSGYGRNGFPCIAK-QKVFXAPYSA-N -1 1 629.485 5.211 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967611 553921136 /nfs/dbraw/zinc/92/11/36/553921136.db2.gz SGPLLRQOKWLXMN-XGCWNURASA-N -1 1 554.624 5.976 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097967645 553921362 /nfs/dbraw/zinc/92/13/62/553921362.db2.gz GQDBYZUWOKBZJV-WGDIFIGCSA-N -1 1 604.681 5.698 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097967645 553921364 /nfs/dbraw/zinc/92/13/64/553921364.db2.gz GQDBYZUWOKBZJV-WGDIFIGCSA-N -1 1 604.681 5.698 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000097967684 553921796 /nfs/dbraw/zinc/92/17/96/553921796.db2.gz WSXWKYRSCBLMHF-JPQMRUPTSA-N -1 1 685.868 8.069 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967739 553922765 /nfs/dbraw/zinc/92/27/65/553922765.db2.gz OKRLTLJLJVLJQX-WWOZWPLTSA-N -1 1 633.166 7.880 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967739 553922767 /nfs/dbraw/zinc/92/27/67/553922767.db2.gz OKRLTLJLJVLJQX-WWOZWPLTSA-N -1 1 633.166 7.880 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967757 553922866 /nfs/dbraw/zinc/92/28/66/553922866.db2.gz PBIQVNCYQYZJOX-VWLOTQADSA-N -1 1 563.031 6.293 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097967792 553923010 /nfs/dbraw/zinc/92/30/10/553923010.db2.gz JVOMOFAFLLPYSH-UGDMGKLASA-N -1 1 671.841 7.904 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097967791 553923180 /nfs/dbraw/zinc/92/31/80/553923180.db2.gz JVOMOFAFLLPYSH-WKRVVKTRSA-N -1 1 671.841 7.904 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097967806 553923583 /nfs/dbraw/zinc/92/35/83/553923583.db2.gz XMVWXBCFYBTIFF-WENCNXQZSA-N -1 1 675.804 7.653 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967804 553923622 /nfs/dbraw/zinc/92/36/22/553923622.db2.gz XKXGISCDPXUTEV-QTYPKTMWSA-N -1 1 634.710 6.999 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967804 553923624 /nfs/dbraw/zinc/92/36/24/553923624.db2.gz XKXGISCDPXUTEV-QTYPKTMWSA-N -1 1 634.710 6.999 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000097967862 553924621 /nfs/dbraw/zinc/92/46/21/553924621.db2.gz YZHRGZGIQPSKNI-PMERELPUSA-N -1 1 691.803 7.347 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097967906 553924901 /nfs/dbraw/zinc/92/49/01/553924901.db2.gz OPKIBQHXQNMZKE-YTTGMZPUSA-N -1 1 679.820 8.107 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097967949 553925250 /nfs/dbraw/zinc/92/52/50/553925250.db2.gz NWYSLUFFCOPBBL-MUUNZHRXSA-N -1 1 664.205 7.463 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097967950 553925287 /nfs/dbraw/zinc/92/52/87/553925287.db2.gz NWYSLUFFCOPBBL-NDEPHWFRSA-N -1 1 664.205 7.463 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097967967 553925837 /nfs/dbraw/zinc/92/58/37/553925837.db2.gz SRQXLHYNTGSNKG-HSZRJFAPSA-N -1 1 630.506 6.830 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968038 553926574 /nfs/dbraw/zinc/92/65/74/553926574.db2.gz RAHJEOYXSZVSFP-GDLZYMKVSA-N -1 1 637.739 6.936 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097968064 553927048 /nfs/dbraw/zinc/92/70/48/553927048.db2.gz WSOFNDMMPXWPNK-MUUNZHRXSA-N -1 1 663.749 6.711 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968077 553927354 /nfs/dbraw/zinc/92/73/54/553927354.db2.gz SITBMWRFEJMDPY-VWLOTQADSA-N -1 1 587.679 5.783 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968099 553927404 /nfs/dbraw/zinc/92/74/04/553927404.db2.gz WCKCFJPYWAXQSA-MHZLTWQESA-N -1 1 649.722 6.321 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000097968139 553928276 /nfs/dbraw/zinc/92/82/76/553928276.db2.gz MYZDVXFCBJTFIY-OWJWWREXSA-N -1 1 592.098 6.296 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097968161 553928468 /nfs/dbraw/zinc/92/84/68/553928468.db2.gz WKWRSWGKHUOIBH-QUGAMOGWSA-N -1 1 560.672 6.329 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097968159 553928516 /nfs/dbraw/zinc/92/85/16/553928516.db2.gz WKWRSWGKHUOIBH-QLXKLKPCSA-N -1 1 560.672 6.329 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097968143 553928539 /nfs/dbraw/zinc/92/85/39/553928539.db2.gz QXALVKORBUJUGA-NDEPHWFRSA-N -1 1 623.712 6.546 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968189 553928824 /nfs/dbraw/zinc/92/88/24/553928824.db2.gz YCVIAAHSRVAXCP-PMERELPUSA-N -1 1 649.750 7.103 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097968176 553928848 /nfs/dbraw/zinc/92/88/48/553928848.db2.gz PALBKIODDRLUFE-GDLZYMKVSA-N -1 1 677.776 7.101 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097968212 553929099 /nfs/dbraw/zinc/92/90/99/553929099.db2.gz CFUDIWOSKMSBIH-AREMUKBSSA-N -1 1 585.707 6.508 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968225 553929164 /nfs/dbraw/zinc/92/91/64/553929164.db2.gz GIRPCHSRKHFDSK-NDEPHWFRSA-N -1 1 664.205 7.607 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968283 553930106 /nfs/dbraw/zinc/93/01/06/553930106.db2.gz WQNJPEWXKMWWDO-SSEXGKCCSA-N -1 1 742.703 8.659 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000097968296 553930342 /nfs/dbraw/zinc/93/03/42/553930342.db2.gz HOMBDEWZRFVSKE-RUZDIDTESA-N -1 1 555.612 5.303 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097968311 553930400 /nfs/dbraw/zinc/93/04/00/553930400.db2.gz HNFBGTWVXXVGME-MHZLTWQESA-N -1 1 582.634 5.787 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000097968295 553930406 /nfs/dbraw/zinc/93/04/06/553930406.db2.gz HOMBDEWZRFVSKE-VWLOTQADSA-N -1 1 555.612 5.303 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000097968351 553930750 /nfs/dbraw/zinc/93/07/50/553930750.db2.gz PCNKJAZIVDQLJD-MYYSRTQBSA-N -1 1 575.643 5.781 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968337 553930870 /nfs/dbraw/zinc/93/08/70/553930870.db2.gz SNGGSHYCESCDAU-JBEBIEQOSA-N -1 1 644.989 7.897 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000097968419 553932382 /nfs/dbraw/zinc/93/23/82/553932382.db2.gz KOIGESPLGCVLLV-MYODQAERSA-N -1 1 611.445 6.018 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000097968421 553932421 /nfs/dbraw/zinc/93/24/21/553932421.db2.gz KOIGESPLGCVLLV-DAOPMYJZSA-N -1 1 611.445 6.018 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097969159 553937546 /nfs/dbraw/zinc/93/75/46/553937546.db2.gz VHZWXNNUDXQQAB-JBEBIEQOSA-N -1 1 551.451 7.018 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969201 553937714 /nfs/dbraw/zinc/93/77/14/553937714.db2.gz WHALWRZCWJRFPQ-WKRVVKTRSA-N -1 1 647.778 7.516 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000097969196 553937791 /nfs/dbraw/zinc/93/77/91/553937791.db2.gz NHCBURMNTGGNEM-JOCHJYFZSA-N -1 1 555.052 6.162 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969245 553938390 /nfs/dbraw/zinc/93/83/90/553938390.db2.gz SBZJIAGMQCPIMT-VKGTZQKMSA-N -1 1 631.751 7.255 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969218 553938458 /nfs/dbraw/zinc/93/84/58/553938458.db2.gz PCPYJZJBKHZVQZ-XFSFLGPDSA-N -1 1 618.711 7.380 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969282 553939341 /nfs/dbraw/zinc/93/93/41/553939341.db2.gz ZSFREEOKHPESSI-MYUZEXMDSA-N -1 1 632.163 7.155 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969288 553939438 /nfs/dbraw/zinc/93/94/38/553939438.db2.gz MNXPBQDYQVEYAB-MHZLTWQESA-N -1 1 572.639 6.038 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969288 553939441 /nfs/dbraw/zinc/93/94/41/553939441.db2.gz MNXPBQDYQVEYAB-MHZLTWQESA-N -1 1 572.639 6.038 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097969327 553939677 /nfs/dbraw/zinc/93/96/77/553939677.db2.gz CVUZUWBAMICSCG-AFJIDDCJSA-N -1 1 568.695 7.280 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969381 553940402 /nfs/dbraw/zinc/94/04/02/553940402.db2.gz GPTABEQZTVNQGT-GYCJOSAFSA-N -1 1 562.644 5.523 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969381 553940405 /nfs/dbraw/zinc/94/04/05/553940405.db2.gz GPTABEQZTVNQGT-GYCJOSAFSA-N -1 1 562.644 5.523 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000097969411 553940792 /nfs/dbraw/zinc/94/07/92/553940792.db2.gz UOQWPEJTJZOHSP-FQEVSTJZSA-N -1 1 592.081 6.757 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969458 553941093 /nfs/dbraw/zinc/94/10/93/553941093.db2.gz FKHCSWFQWHIKRL-MUUNZHRXSA-N -1 1 658.729 6.324 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097969565 553942303 /nfs/dbraw/zinc/94/23/03/553942303.db2.gz MAQLHTIFTSMANG-HSZRJFAPSA-N -1 1 569.422 6.166 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097969615 553942909 /nfs/dbraw/zinc/94/29/09/553942909.db2.gz ASNGCVFDXRVYLD-CLYVBNDRSA-N -1 1 616.692 5.864 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097969615 553942911 /nfs/dbraw/zinc/94/29/11/553942911.db2.gz ASNGCVFDXRVYLD-CLYVBNDRSA-N -1 1 616.692 5.864 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097969627 553943014 /nfs/dbraw/zinc/94/30/14/553943014.db2.gz JXZXLTNFENXDMS-RBSBEOHCSA-N -1 1 595.076 7.848 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097969627 553943017 /nfs/dbraw/zinc/94/30/17/553943017.db2.gz JXZXLTNFENXDMS-RBSBEOHCSA-N -1 1 595.076 7.848 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097969712 553943771 /nfs/dbraw/zinc/94/37/71/553943771.db2.gz OIBTWMBFKZFNCJ-HKBQPEDESA-N -1 1 636.682 6.447 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969722 553944097 /nfs/dbraw/zinc/94/40/97/553944097.db2.gz QJNNRLYBBHVNFK-GDLZYMKVSA-N -1 1 600.693 6.655 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969723 553944100 /nfs/dbraw/zinc/94/41/00/553944100.db2.gz QJNNRLYBBHVNFK-LJAQVGFWSA-N -1 1 600.693 6.655 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969753 553944459 /nfs/dbraw/zinc/94/44/59/553944459.db2.gz ZRFJLQRLQWVIBJ-BGOLNKOXSA-N -1 1 588.685 7.290 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969760 553944582 /nfs/dbraw/zinc/94/45/82/553944582.db2.gz YVYAOIAJNXIAIN-WRONEBCDSA-N -1 1 568.695 7.136 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969772 553944694 /nfs/dbraw/zinc/94/46/94/553944694.db2.gz DISQCVSQOMEVOF-AFJIDDCJSA-N -1 1 641.771 6.900 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969800 553945025 /nfs/dbraw/zinc/94/50/25/553945025.db2.gz AMHBIEZHIKSDKD-WRGVRERRSA-N -1 1 675.804 7.653 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097969845 553945804 /nfs/dbraw/zinc/94/58/04/553945804.db2.gz WKCNMFXHARNBTE-CPJLOUKISA-N -1 1 592.670 5.532 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097969845 553945808 /nfs/dbraw/zinc/94/58/08/553945808.db2.gz WKCNMFXHARNBTE-CPJLOUKISA-N -1 1 592.670 5.532 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097969844 553946067 /nfs/dbraw/zinc/94/60/67/553946067.db2.gz WKCNMFXHARNBTE-PUAOIOHZSA-N -1 1 592.670 5.532 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097969844 553946069 /nfs/dbraw/zinc/94/60/69/553946069.db2.gz WKCNMFXHARNBTE-PUAOIOHZSA-N -1 1 592.670 5.532 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097969914 553946832 /nfs/dbraw/zinc/94/68/32/553946832.db2.gz YTFPWTVVRGOFTG-PPHZAIPVSA-N -1 1 602.709 6.470 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097969914 553946833 /nfs/dbraw/zinc/94/68/33/553946833.db2.gz YTFPWTVVRGOFTG-PPHZAIPVSA-N -1 1 602.709 6.470 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969944 553947221 /nfs/dbraw/zinc/94/72/21/553947221.db2.gz GJLYXBKYSWQUFO-WINIVTDRSA-N -1 1 599.734 6.726 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969981 553947822 /nfs/dbraw/zinc/94/78/22/553947822.db2.gz RCOBNQPAPRVFCU-GDLZYMKVSA-N -1 1 616.692 6.293 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970011 553948125 /nfs/dbraw/zinc/94/81/25/553948125.db2.gz XCXVNGFHBWUOPR-IIMAJNMQSA-N -1 1 655.798 7.209 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970033 553948752 /nfs/dbraw/zinc/94/87/52/553948752.db2.gz CQFNRBHTFXLVBR-SLQAJWMNSA-N -1 1 621.740 7.099 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000097970026 553948764 /nfs/dbraw/zinc/94/87/64/553948764.db2.gz HDDYFAXHNWBCIC-PUAOIOHZSA-N -1 1 575.484 6.782 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970091 553949538 /nfs/dbraw/zinc/94/95/38/553949538.db2.gz ZQCDVDKJXAEKPK-BGOLNKOXSA-N -1 1 612.748 7.535 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000097970098 553949589 /nfs/dbraw/zinc/94/95/89/553949589.db2.gz RHAHLGYFQJIMPY-ZWVRTZEQSA-N -1 1 705.858 8.223 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970116 553949957 /nfs/dbraw/zinc/94/99/57/553949957.db2.gz XTZZZZDKMWQPDM-CLYVBNDRSA-N -1 1 617.724 6.865 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970125 553950080 /nfs/dbraw/zinc/95/00/80/553950080.db2.gz DEDRDSFMKAOMOW-WINIVTDRSA-N -1 1 599.734 6.644 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970136 553950135 /nfs/dbraw/zinc/95/01/35/553950135.db2.gz HSCWZHWQCOIECU-XGCWNURASA-N -1 1 575.086 7.235 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970136 553950139 /nfs/dbraw/zinc/95/01/39/553950139.db2.gz HSCWZHWQCOIECU-XGCWNURASA-N -1 1 575.086 7.235 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970165 553950420 /nfs/dbraw/zinc/95/04/20/553950420.db2.gz YISZKSHSNAKION-SLQAJWMNSA-N -1 1 661.777 7.263 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097970182 553950879 /nfs/dbraw/zinc/95/08/79/553950879.db2.gz AQUGOHYNMIRTIO-ACSYHNTCSA-N -1 1 646.762 6.724 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097970182 553950880 /nfs/dbraw/zinc/95/08/80/553950880.db2.gz AQUGOHYNMIRTIO-ACSYHNTCSA-N -1 1 646.762 6.724 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097970216 553951115 /nfs/dbraw/zinc/95/11/15/553951115.db2.gz XDUHDAMLSZHPOU-ADXZGYQBSA-N -1 1 696.678 8.813 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970220 553951201 /nfs/dbraw/zinc/95/12/01/553951201.db2.gz BYRZQMYNSNSTJW-XBBWARJSSA-N -1 1 584.694 6.836 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097970265 553951569 /nfs/dbraw/zinc/95/15/69/553951569.db2.gz SWPMDHAPUGPLSN-GHRAFVERSA-N -1 1 626.775 7.843 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097970256 553951574 /nfs/dbraw/zinc/95/15/74/553951574.db2.gz HOBSWOPKKAONSB-XDBZFTIUSA-N -1 1 568.695 7.099 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097970267 553951580 /nfs/dbraw/zinc/95/15/80/553951580.db2.gz SWPMDHAPUGPLSN-APYJYERMSA-N -1 1 626.775 7.843 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970299 553951949 /nfs/dbraw/zinc/95/19/49/553951949.db2.gz SLPZXFOCVZWNEF-OLILMLBXSA-N -1 1 645.778 7.501 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970280 553952006 /nfs/dbraw/zinc/95/20/06/553952006.db2.gz YLDPHRORZTYZJW-IVCQMTBJSA-N -1 1 606.125 6.599 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970276 553952085 /nfs/dbraw/zinc/95/20/85/553952085.db2.gz MTYVHPYZCRALDK-DEOSSOPVSA-N -1 1 578.643 5.361 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970311 553952522 /nfs/dbraw/zinc/95/25/22/553952522.db2.gz YIWDSJGZLXQJHD-WXTAPIANSA-N -1 1 590.698 6.304 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970311 553952527 /nfs/dbraw/zinc/95/25/27/553952527.db2.gz YIWDSJGZLXQJHD-WXTAPIANSA-N -1 1 590.698 6.304 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097970331 553952614 /nfs/dbraw/zinc/95/26/14/553952614.db2.gz NNGGFUBNPWOUDQ-URAOTHONSA-N -1 1 582.722 7.588 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970362 553952905 /nfs/dbraw/zinc/95/29/05/553952905.db2.gz YBMLNDVEDOUVEM-CLYVBNDRSA-N -1 1 615.708 6.641 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970387 553953243 /nfs/dbraw/zinc/95/32/43/553953243.db2.gz KFECRSFUEKRBRF-CRYYWNKWSA-N -1 1 556.640 6.037 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097970378 553953261 /nfs/dbraw/zinc/95/32/61/553953261.db2.gz WDHRFKZKIHCXDL-DNOBIOAJSA-N -1 1 618.708 6.088 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097970378 553953263 /nfs/dbraw/zinc/95/32/63/553953263.db2.gz WDHRFKZKIHCXDL-DNOBIOAJSA-N -1 1 618.708 6.088 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000097970422 553953753 /nfs/dbraw/zinc/95/37/53/553953753.db2.gz FBPLCFWUZIQWGS-SXBQZSJRSA-N -1 1 593.057 6.082 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097970411 553953766 /nfs/dbraw/zinc/95/37/66/553953766.db2.gz HAJDEQSOOLOFLJ-MHZLTWQESA-N -1 1 588.638 5.656 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097970411 553953767 /nfs/dbraw/zinc/95/37/67/553953767.db2.gz HAJDEQSOOLOFLJ-MHZLTWQESA-N -1 1 588.638 5.656 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970446 553954069 /nfs/dbraw/zinc/95/40/69/553954069.db2.gz KBNPZYBIQRYOMH-JPQMRUPTSA-N -1 1 685.868 8.213 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970452 553954116 /nfs/dbraw/zinc/95/41/16/553954116.db2.gz ZBRAWKBUSFEZJG-GHRAFVERSA-N -1 1 663.821 8.269 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970460 553954431 /nfs/dbraw/zinc/95/44/31/553954431.db2.gz PCEVXAMAPWSBRQ-WHLCRQNOSA-N -1 1 610.688 6.314 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970460 553954432 /nfs/dbraw/zinc/95/44/32/553954432.db2.gz PCEVXAMAPWSBRQ-WHLCRQNOSA-N -1 1 610.688 6.314 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970461 553954437 /nfs/dbraw/zinc/95/44/37/553954437.db2.gz PCEVXAMAPWSBRQ-GDJIYFAZSA-N -1 1 610.688 6.314 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970461 553954439 /nfs/dbraw/zinc/95/44/39/553954439.db2.gz PCEVXAMAPWSBRQ-GDJIYFAZSA-N -1 1 610.688 6.314 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097970487 553954504 /nfs/dbraw/zinc/95/45/04/553954504.db2.gz ZYZUKXDVCOAGCO-NDEPHWFRSA-N -1 1 628.703 6.316 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970483 553954648 /nfs/dbraw/zinc/95/46/48/553954648.db2.gz VVDLXOGUDOGWEI-BGOLNKOXSA-N -1 1 647.778 7.655 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970511 553954914 /nfs/dbraw/zinc/95/49/14/553954914.db2.gz RRCHHMLAVJLNHH-YMGMXPECSA-N -1 1 605.112 7.244 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970511 553954917 /nfs/dbraw/zinc/95/49/17/553954917.db2.gz RRCHHMLAVJLNHH-YMGMXPECSA-N -1 1 605.112 7.244 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970504 553954926 /nfs/dbraw/zinc/95/49/26/553954926.db2.gz WICDEVOXFPZIPD-PUAOIOHZSA-N -1 1 634.135 6.377 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097970491 553955169 /nfs/dbraw/zinc/95/51/69/553955169.db2.gz MCUHKIKQXSIJSQ-NBLPZQPVSA-N -1 1 693.847 8.277 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097970607 553956371 /nfs/dbraw/zinc/95/63/71/553956371.db2.gz DPQXPCMMJSXXTO-GDLZYMKVSA-N -1 1 616.692 6.437 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097970607 553956373 /nfs/dbraw/zinc/95/63/73/553956373.db2.gz DPQXPCMMJSXXTO-GDLZYMKVSA-N -1 1 616.692 6.437 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097970662 553957239 /nfs/dbraw/zinc/95/72/39/553957239.db2.gz PXYVXUHYEVJBPG-NSYGIPOTSA-N -1 1 558.656 6.024 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097970740 553958322 /nfs/dbraw/zinc/95/83/22/553958322.db2.gz AGQVTINAONGDGH-DEOSSOPVSA-N -1 1 577.456 6.230 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097970740 553958323 /nfs/dbraw/zinc/95/83/23/553958323.db2.gz AGQVTINAONGDGH-DEOSSOPVSA-N -1 1 577.456 6.230 50 30 KKEAMM CCCCCCCCOc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1 ZINC000097983744 554011319 /nfs/dbraw/zinc/01/13/19/554011319.db2.gz NLSJNEVIWSQIPX-UHFFFAOYSA-N -1 1 545.101 6.898 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000098043589 554128288 /nfs/dbraw/zinc/12/82/88/554128288.db2.gz FPQCRAONMSYTCR-OAQYLSRUSA-N -1 1 541.025 5.772 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCC)cc2)cc1C ZINC000098046314 554137606 /nfs/dbraw/zinc/13/76/06/554137606.db2.gz OHRIIWWCPMGOKN-RUZDIDTESA-N -1 1 576.671 6.073 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000098046309 554137620 /nfs/dbraw/zinc/13/76/20/554137620.db2.gz KNUUPTHSUMEBOE-DEOSSOPVSA-N -1 1 578.643 5.302 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000098046457 554139473 /nfs/dbraw/zinc/13/94/73/554139473.db2.gz UOWCWSBBVQFKHP-VWLOTQADSA-N -1 1 636.593 7.555 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046496 554139803 /nfs/dbraw/zinc/13/98/03/554139803.db2.gz LGRCGNCESCMUBJ-SSEXGKCCSA-N -1 1 687.746 7.488 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046504 554139870 /nfs/dbraw/zinc/13/98/70/554139870.db2.gz HZFSFDZQUCUYMY-SSEXGKCCSA-N -1 1 704.201 8.002 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000098046542 554140338 /nfs/dbraw/zinc/14/03/38/554140338.db2.gz PXWMTOTTXILKTE-SANMLTNESA-N -1 1 599.665 7.063 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000098046615 554141649 /nfs/dbraw/zinc/14/16/49/554141649.db2.gz YABPZOCMJCSTOO-SANMLTNESA-N -1 1 577.058 6.683 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098046663 554142002 /nfs/dbraw/zinc/14/20/02/554142002.db2.gz IBTRNCISXPXAAR-JOCHJYFZSA-N -1 1 565.604 5.498 50 30 KKEAMM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1 ZINC000098046707 554142761 /nfs/dbraw/zinc/14/27/61/554142761.db2.gz BFNNYBUEYBOWGB-WJOKGBTCSA-N -1 1 588.685 7.392 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1 ZINC000098046707 554142764 /nfs/dbraw/zinc/14/27/64/554142764.db2.gz BFNNYBUEYBOWGB-WJOKGBTCSA-N -1 1 588.685 7.392 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098046711 554142825 /nfs/dbraw/zinc/14/28/25/554142825.db2.gz ZUHLMDJZLXHAIJ-HSZRJFAPSA-N -1 1 577.615 5.664 50 30 KKEAMM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1 ZINC000098046708 554142876 /nfs/dbraw/zinc/14/28/76/554142876.db2.gz BFNNYBUEYBOWGB-HKBQPEDESA-N -1 1 588.685 7.392 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)cc2)c1 ZINC000098046708 554142878 /nfs/dbraw/zinc/14/28/78/554142878.db2.gz BFNNYBUEYBOWGB-HKBQPEDESA-N -1 1 588.685 7.392 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccnc2)cc1 ZINC000098046843 554144207 /nfs/dbraw/zinc/14/42/07/554144207.db2.gz JNJGKKUAOLJZJA-NRFANRHFSA-N -1 1 535.050 5.970 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccncc2)cc1 ZINC000098046847 554144405 /nfs/dbraw/zinc/14/44/05/554144405.db2.gz RLOJSPMVQAEEHP-NRFANRHFSA-N -1 1 551.049 5.670 50 30 KKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC)cc2)c(C)c1 ZINC000098047102 554146734 /nfs/dbraw/zinc/14/67/34/554146734.db2.gz XHKWMZYXYZBFIT-XMMPIXPASA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC)cc2)c(C)c1 ZINC000098047102 554146737 /nfs/dbraw/zinc/14/67/37/554146737.db2.gz XHKWMZYXYZBFIT-XMMPIXPASA-N -1 1 562.644 5.683 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098047251 554148299 /nfs/dbraw/zinc/14/82/99/554148299.db2.gz JHTXQQZOFZFUEC-WJOKGBTCSA-N -1 1 683.783 7.657 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047282 554148785 /nfs/dbraw/zinc/14/87/85/554148785.db2.gz HZFCUJSVENRMJK-VWLOTQADSA-N -1 1 564.660 5.879 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(O)c(OC)c2)cc1F ZINC000098047271 554148834 /nfs/dbraw/zinc/14/88/34/554148834.db2.gz QXUUWWKNXFRSSJ-HHHXNRCGSA-N -1 1 629.691 6.628 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047313 554149349 /nfs/dbraw/zinc/14/93/49/554149349.db2.gz VJHPIFPIJNCIFI-MUUNZHRXSA-N -1 1 643.693 7.692 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000098047338 554149598 /nfs/dbraw/zinc/14/95/98/554149598.db2.gz KZMRSDCEVWILKG-AREMUKBSSA-N -1 1 605.713 6.940 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccnc2)cc1 ZINC000098047353 554149606 /nfs/dbraw/zinc/14/96/06/554149606.db2.gz IJSQLJCXPXHECP-DEOSSOPVSA-N -1 1 593.130 6.841 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccccc2)cc1 ZINC000098047359 554149668 /nfs/dbraw/zinc/14/96/68/554149668.db2.gz UNYOAPIRAMTDHG-VWLOTQADSA-N -1 1 592.142 7.446 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000098047373 554150023 /nfs/dbraw/zinc/15/00/23/554150023.db2.gz YMIDIKFVPBSSHO-SANMLTNESA-N -1 1 587.723 6.801 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000098047378 554150117 /nfs/dbraw/zinc/15/01/17/554150117.db2.gz HWZZRCJBABNDPG-RUZDIDTESA-N -1 1 592.142 7.446 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)c(F)c4)[C@@H]3c3cccc(Oc4ccccc4)c3)s2)cc1 ZINC000098047397 554150408 /nfs/dbraw/zinc/15/04/08/554150408.db2.gz SYMIRQCZWJODRL-LJAQVGFWSA-N -1 1 623.731 8.162 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047403 554150509 /nfs/dbraw/zinc/15/05/09/554150509.db2.gz XYXNWFPIHXBMIR-LJAQVGFWSA-N -1 1 664.249 8.625 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047406 554150542 /nfs/dbraw/zinc/15/05/42/554150542.db2.gz KZTSRKMUBCXLGF-MUUNZHRXSA-N -1 1 620.768 7.405 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047412 554150628 /nfs/dbraw/zinc/15/06/28/554150628.db2.gz DUGGPUPFOLCMKR-GDLZYMKVSA-N -1 1 629.804 7.971 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047430 554150925 /nfs/dbraw/zinc/15/09/25/554150925.db2.gz ZLQVHAHMZLYPMJ-MUUNZHRXSA-N -1 1 633.767 7.720 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098047448 554150935 /nfs/dbraw/zinc/15/09/35/554150935.db2.gz ALUXRDYSFCUACS-GDLZYMKVSA-N -1 1 661.777 7.505 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047429 554151012 /nfs/dbraw/zinc/15/10/12/554151012.db2.gz JPOVYJNPCMYYQF-LJAQVGFWSA-N -1 1 664.249 8.625 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047474 554151261 /nfs/dbraw/zinc/15/12/61/554151261.db2.gz BAMNMIUTGUADNP-MUUNZHRXSA-N -1 1 615.777 7.581 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098047468 554151306 /nfs/dbraw/zinc/15/13/06/554151306.db2.gz YOFGOYSQKJAROG-GDLZYMKVSA-N -1 1 643.787 7.366 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047456 554151397 /nfs/dbraw/zinc/15/13/97/554151397.db2.gz UGNQMSBNDZAPBE-MGBGTMOVSA-N -1 1 677.848 8.680 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047484 554151888 /nfs/dbraw/zinc/15/18/88/554151888.db2.gz CDJKJDVELALLOC-MHZLTWQESA-N -1 1 629.760 6.887 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000098047513 554152164 /nfs/dbraw/zinc/15/21/64/554152164.db2.gz NKTLTJXPCKAQNQ-GDLZYMKVSA-N -1 1 650.794 7.558 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000098047535 554152195 /nfs/dbraw/zinc/15/21/95/554152195.db2.gz ORLQDWFIOWNCGN-DEOSSOPVSA-N -1 1 630.550 7.766 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047582 554152937 /nfs/dbraw/zinc/15/29/37/554152937.db2.gz OOCVJAYQRSCRNV-VWLOTQADSA-N -1 1 620.684 6.840 50 30 KKEAMM CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC ZINC000098047592 554153129 /nfs/dbraw/zinc/15/31/29/554153129.db2.gz LGTOVGOCXKAFIY-HKBQPEDESA-N -1 1 678.848 8.194 50 30 KKEAMM CCCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC ZINC000098047636 554153902 /nfs/dbraw/zinc/15/39/02/554153902.db2.gz CSAOKGVDCGQIPS-XIFFEERXSA-N -1 1 719.901 9.289 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000098047646 554154009 /nfs/dbraw/zinc/15/40/09/554154009.db2.gz LSLAHSNYEOXPAK-VWLOTQADSA-N -1 1 610.132 7.585 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000098047650 554154049 /nfs/dbraw/zinc/15/40/49/554154049.db2.gz ADCVKBMEEPUXPY-VWLOTQADSA-N -1 1 610.132 7.585 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000098047670 554154455 /nfs/dbraw/zinc/15/44/55/554154455.db2.gz XPTKQHHOQUBYJE-XMMPIXPASA-N -1 1 546.645 5.983 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000098047670 554154459 /nfs/dbraw/zinc/15/44/59/554154459.db2.gz XPTKQHHOQUBYJE-XMMPIXPASA-N -1 1 546.645 5.983 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047703 554154800 /nfs/dbraw/zinc/15/48/00/554154800.db2.gz YHBRZJQSXFARJF-MUUNZHRXSA-N -1 1 627.719 7.313 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000098047709 554154939 /nfs/dbraw/zinc/15/49/39/554154939.db2.gz FTRJXKUAFXLTQQ-UUWRZZSWSA-N -1 1 703.817 8.802 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2)cc1F ZINC000098047701 554154972 /nfs/dbraw/zinc/15/49/72/554154972.db2.gz MHEVBXWMPSTCPD-AREMUKBSSA-N -1 1 583.666 6.914 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098047784 554155719 /nfs/dbraw/zinc/15/57/19/554155719.db2.gz DTCGEQMUDBZVJF-LJAQVGFWSA-N -1 1 685.780 6.810 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(F)cc2)cc1OC ZINC000098047772 554155805 /nfs/dbraw/zinc/15/58/05/554155805.db2.gz IZININIDGFGRJG-MHZLTWQESA-N -1 1 613.692 6.923 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000098047810 554156280 /nfs/dbraw/zinc/15/62/80/554156280.db2.gz SJGNNKGEGCXORP-UMSFTDKQSA-N -1 1 701.826 8.363 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(O)cc2)cc1OC ZINC000098047803 554156323 /nfs/dbraw/zinc/15/63/23/554156323.db2.gz LSGFQAXKPDRSOL-HHHXNRCGSA-N -1 1 611.701 6.489 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000098047791 554156351 /nfs/dbraw/zinc/15/63/51/554156351.db2.gz HIUFHJBJEWPUJP-GDLZYMKVSA-N -1 1 655.754 6.801 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047806 554156427 /nfs/dbraw/zinc/15/64/27/554156427.db2.gz KDZNUHCWUKDEBP-NDEPHWFRSA-N -1 1 625.728 6.792 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Cl)c2)cc1F ZINC000098047827 554156684 /nfs/dbraw/zinc/15/66/84/554156684.db2.gz GGFWZYXPWXRQLR-AREMUKBSSA-N -1 1 602.112 7.867 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000098047818 554156726 /nfs/dbraw/zinc/15/67/26/554156726.db2.gz CRRFIUIIKNISEE-PMERELPUSA-N -1 1 651.810 8.081 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000098047818 554156729 /nfs/dbraw/zinc/15/67/29/554156729.db2.gz CRRFIUIIKNISEE-PMERELPUSA-N -1 1 651.810 8.081 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)ccc1O ZINC000098048009 554158295 /nfs/dbraw/zinc/15/82/95/554158295.db2.gz LTNXXMLMPMWVGJ-VWLOTQADSA-N -1 1 528.586 5.528 50 30 KKEAMM CO[C@@H]1CC([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)=CCC1=O ZINC000098047981 554158366 /nfs/dbraw/zinc/15/83/66/554158366.db2.gz SNHNMELEUNXBRP-XLIONFOSSA-N -1 1 539.660 5.089 50 30 KKEAMM CO[C@H]1CC([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)=CCC1=O ZINC000098047982 554158378 /nfs/dbraw/zinc/15/83/78/554158378.db2.gz SNHNMELEUNXBRP-PXNSSMCTSA-N -1 1 539.660 5.089 50 30 KKEAMM COc1ccc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(OCCC(C)C)c3)nc2c1 ZINC000098047995 554158420 /nfs/dbraw/zinc/15/84/20/554158420.db2.gz GKEGCXVKOPRTQW-XMMPIXPASA-N -1 1 534.659 6.574 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048039 554158895 /nfs/dbraw/zinc/15/88/95/554158895.db2.gz MTZASBOPPMJIGY-YHAMSUFESA-N -1 1 544.604 6.331 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048039 554158896 /nfs/dbraw/zinc/15/88/96/554158896.db2.gz MTZASBOPPMJIGY-YHAMSUFESA-N -1 1 544.604 6.331 50 30 KKEAMM CC1(C)SC(=S)N(/N=C/c2cc(Br)ccc2O)[C@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000100099322 554219504 /nfs/dbraw/zinc/21/95/04/554219504.db2.gz OFDWDWFEZUCUMS-CPHRPENTSA-N -1 1 529.869 5.504 50 30 KKEAMM CC1(C)SC(=S)N(/N=C/c2cc(Br)ccc2O)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000100099314 554219616 /nfs/dbraw/zinc/21/96/16/554219616.db2.gz OFDWDWFEZUCUMS-YJCKXXIQSA-N -1 1 529.869 5.504 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053290017 554331306 /nfs/dbraw/zinc/33/13/06/554331306.db2.gz FEJVJPNJRHKFME-IBGZPJMESA-N -1 1 547.416 5.645 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000053290997 554331530 /nfs/dbraw/zinc/33/15/30/554331530.db2.gz ZVUHCOKFHBCPEZ-HXUWFJFHSA-N -1 1 526.343 5.426 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053291513 554332135 /nfs/dbraw/zinc/33/21/35/554332135.db2.gz WGQSFFHCSZXSCR-JOCHJYFZSA-N -1 1 553.409 6.380 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000053305878 554332912 /nfs/dbraw/zinc/33/29/12/554332912.db2.gz PSTBBKLTXWZSBA-JOCHJYFZSA-N -1 1 541.412 6.403 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000053306031 554333115 /nfs/dbraw/zinc/33/31/15/554333115.db2.gz QIMMJAOIZXJRKR-RUZDIDTESA-N -1 1 574.611 5.185 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053306456 554334009 /nfs/dbraw/zinc/33/40/09/554334009.db2.gz MAUCDRQOPAYXFT-XMMPIXPASA-N -1 1 563.473 6.803 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053306456 554334013 /nfs/dbraw/zinc/33/40/13/554334013.db2.gz MAUCDRQOPAYXFT-XMMPIXPASA-N -1 1 563.473 6.803 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053306657 554334496 /nfs/dbraw/zinc/33/44/96/554334496.db2.gz JENQNAUBTOCBKY-JOCHJYFZSA-N -1 1 553.409 6.380 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053307225 554335099 /nfs/dbraw/zinc/33/50/99/554335099.db2.gz UTRQWVNLSCHDMU-HXUWFJFHSA-N -1 1 561.443 6.035 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000053307433 554335118 /nfs/dbraw/zinc/33/51/18/554335118.db2.gz GSSSLPAJOUZHEC-DEOSSOPVSA-N -1 1 551.020 6.149 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053308167 554336044 /nfs/dbraw/zinc/33/60/44/554336044.db2.gz OZFJBWPVRNXWCW-NRFANRHFSA-N -1 1 523.383 6.289 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053319178 554336535 /nfs/dbraw/zinc/33/65/35/554336535.db2.gz YEXXSOWRKGVPDB-OAQYLSRUSA-N -1 1 521.392 5.850 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000053319362 554337526 /nfs/dbraw/zinc/33/75/26/554337526.db2.gz FMNFNISYRWLBMH-RUZDIDTESA-N -1 1 527.602 5.525 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000053319362 554337524 /nfs/dbraw/zinc/33/75/24/554337524.db2.gz FMNFNISYRWLBMH-RUZDIDTESA-N -1 1 527.602 5.525 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)cc1C ZINC000053331839 554338621 /nfs/dbraw/zinc/33/86/21/554338621.db2.gz GKUATCPTBMDKRI-DEOSSOPVSA-N -1 1 563.473 6.776 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053332772 554338919 /nfs/dbraw/zinc/33/89/19/554338919.db2.gz KPMWPDPOWMIAOO-QFIPXVFZSA-N -1 1 553.865 7.058 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053332969 554339376 /nfs/dbraw/zinc/33/93/76/554339376.db2.gz HODWVFUUNOQMTF-VWLOTQADSA-N -1 1 572.595 5.036 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000053332860 554339484 /nfs/dbraw/zinc/33/94/84/554339484.db2.gz FPOLTNCYAIRVQD-AREMUKBSSA-N -1 1 558.612 5.484 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000053332909 554339563 /nfs/dbraw/zinc/33/95/63/554339563.db2.gz TXDTVXIBWAPKEC-MYYSRTQBSA-N -1 1 577.634 6.215 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053333823 554339926 /nfs/dbraw/zinc/33/99/26/554339926.db2.gz WKGOUMMXCRKLTE-HAWMADMCSA-N -1 1 588.638 5.437 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053333823 554339929 /nfs/dbraw/zinc/33/99/29/554339929.db2.gz WKGOUMMXCRKLTE-HAWMADMCSA-N -1 1 588.638 5.437 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000053334815 554340225 /nfs/dbraw/zinc/34/02/25/554340225.db2.gz RSEGNZCTDVBTEP-GKVSMKOHSA-N -1 1 571.680 5.945 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(Br)cn3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053335149 554340752 /nfs/dbraw/zinc/34/07/52/554340752.db2.gz VQFLDCNUGUKLAJ-NRFANRHFSA-N -1 1 558.226 5.788 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000053335512 554341036 /nfs/dbraw/zinc/34/10/36/554341036.db2.gz XHABPQRVFHKLBF-WWOZWPLTSA-N -1 1 592.648 7.121 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000053335512 554341041 /nfs/dbraw/zinc/34/10/41/554341041.db2.gz XHABPQRVFHKLBF-WWOZWPLTSA-N -1 1 592.648 7.121 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000053336907 554341903 /nfs/dbraw/zinc/34/19/03/554341903.db2.gz IOAKEVYSVCTVOI-FPTDNZKUSA-N -1 1 551.020 5.554 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000053337168 554342129 /nfs/dbraw/zinc/34/21/29/554342129.db2.gz PLOGEIUYRZOVGW-QFIPXVFZSA-N -1 1 573.841 6.811 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000053337617 554342294 /nfs/dbraw/zinc/34/22/94/554342294.db2.gz JMHYZDZIJMXVAJ-AREMUKBSSA-N -1 1 558.612 5.648 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000053337617 554342297 /nfs/dbraw/zinc/34/22/97/554342297.db2.gz JMHYZDZIJMXVAJ-AREMUKBSSA-N -1 1 558.612 5.648 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000053338045 554342336 /nfs/dbraw/zinc/34/23/36/554342336.db2.gz WMZILVDFHOTMMZ-AREMUKBSSA-N -1 1 544.629 6.112 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000053337488 554342349 /nfs/dbraw/zinc/34/23/49/554342349.db2.gz FQRBSHBCPRHLFH-DEOSSOPVSA-N -1 1 565.003 5.521 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2)nc1C ZINC000053337589 554342425 /nfs/dbraw/zinc/34/24/25/554342425.db2.gz IALIJHXKGKASDX-SANMLTNESA-N -1 1 538.625 6.324 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2)nc1C ZINC000053337589 554342428 /nfs/dbraw/zinc/34/24/28/554342428.db2.gz IALIJHXKGKASDX-SANMLTNESA-N -1 1 538.625 6.324 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000053338048 554342720 /nfs/dbraw/zinc/34/27/20/554342720.db2.gz WMZILVDFHOTMMZ-SANMLTNESA-N -1 1 544.629 6.112 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053339252 554343055 /nfs/dbraw/zinc/34/30/55/554343055.db2.gz GIKRHMXIUYKMKJ-HHHXNRCGSA-N -1 1 591.085 7.073 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000053339440 554343466 /nfs/dbraw/zinc/34/34/66/554343466.db2.gz SPIQTOOXWNGUBA-MUUNZHRXSA-N -1 1 586.666 6.265 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000053340192 554343791 /nfs/dbraw/zinc/34/37/91/554343791.db2.gz HDNDGWQOVSGFGA-BSEYFRJRSA-N -1 1 544.560 5.328 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000053340092 554343989 /nfs/dbraw/zinc/34/39/89/554343989.db2.gz HWRMOMJNZOYLFC-PPHZAIPVSA-N -1 1 583.735 7.060 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000053340092 554343985 /nfs/dbraw/zinc/34/39/85/554343985.db2.gz HWRMOMJNZOYLFC-PPHZAIPVSA-N -1 1 583.735 7.060 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)c(OC)c1 ZINC000053354711 554344577 /nfs/dbraw/zinc/34/45/77/554344577.db2.gz NAJLLHGWNKKCAO-HSZRJFAPSA-N -1 1 542.813 6.211 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)c(OC)c1 ZINC000053354711 554344580 /nfs/dbraw/zinc/34/45/80/554344580.db2.gz NAJLLHGWNKKCAO-HSZRJFAPSA-N -1 1 542.813 6.211 50 30 KKEAMM [O-]c1ccc(Br)c(/C=N/c2ccc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)cc2)c1 ZINC000100461810 554397746 /nfs/dbraw/zinc/39/77/46/554397746.db2.gz KQCQEQTWWPWAEZ-CMNXJCJSSA-N -1 1 550.250 7.791 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccnc2)cc1 ZINC000100675300 554443721 /nfs/dbraw/zinc/44/37/21/554443721.db2.gz INMBTTKBVDBUSQ-HSZRJFAPSA-N -1 1 549.649 5.621 50 30 KKEAMM CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100677712 554444704 /nfs/dbraw/zinc/44/47/04/554444704.db2.gz XHADWXOAZSAOOK-RUZDIDTESA-N -1 1 596.677 6.436 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000100679434 554445291 /nfs/dbraw/zinc/44/52/91/554445291.db2.gz LLDZJHSOEZRXCO-QHCPKHFHSA-N -1 1 534.634 5.898 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000100679434 554445293 /nfs/dbraw/zinc/44/52/93/554445293.db2.gz LLDZJHSOEZRXCO-QHCPKHFHSA-N -1 1 534.634 5.898 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100679532 554445712 /nfs/dbraw/zinc/44/57/12/554445712.db2.gz MHCVFDXCDPVPMU-XMMPIXPASA-N -1 1 562.644 5.683 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000100679891 554445723 /nfs/dbraw/zinc/44/57/23/554445723.db2.gz ZSMUZEZVWQZYGD-XMMPIXPASA-N -1 1 548.661 6.152 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000100679891 554445724 /nfs/dbraw/zinc/44/57/24/554445724.db2.gz ZSMUZEZVWQZYGD-XMMPIXPASA-N -1 1 548.661 6.152 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000100680007 554446125 /nfs/dbraw/zinc/44/61/25/554446125.db2.gz UCRIWDVPWDXZCT-RUZDIDTESA-N -1 1 560.672 6.319 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000100680007 554446130 /nfs/dbraw/zinc/44/61/30/554446130.db2.gz UCRIWDVPWDXZCT-RUZDIDTESA-N -1 1 560.672 6.319 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100680344 554446346 /nfs/dbraw/zinc/44/63/46/554446346.db2.gz LINODXZUMKVKKP-QHCPKHFHSA-N -1 1 601.508 7.063 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000100680276 554446370 /nfs/dbraw/zinc/44/63/70/554446370.db2.gz JFXWOLRYZGRNCK-JOCHJYFZSA-N -1 1 599.503 6.353 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000100680375 554446378 /nfs/dbraw/zinc/44/63/78/554446378.db2.gz MEFJPUUHPPBDOZ-AREMUKBSSA-N -1 1 574.699 6.880 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCC)cc2)nc1C ZINC000100680362 554446445 /nfs/dbraw/zinc/44/64/45/554446445.db2.gz QVPOHYXASYVVJH-SANMLTNESA-N -1 1 590.698 6.545 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccccc2)nc1C ZINC000100681002 554446880 /nfs/dbraw/zinc/44/68/80/554446880.db2.gz OSPOFSSSJOXANJ-HSZRJFAPSA-N -1 1 532.618 5.756 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000100681459 554447888 /nfs/dbraw/zinc/44/78/88/554447888.db2.gz AAEYXLFITXASEB-JOCHJYFZSA-N -1 1 554.596 5.266 50 30 KKEAMM CCCCCCCCCCCCCCCCCC[C@@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1O ZINC000100853969 554493073 /nfs/dbraw/zinc/49/30/73/554493073.db2.gz ULITWBUPJGNVRI-QHCPKHFHSA-N -1 1 506.684 7.981 50 30 KKEAMM CCCCCCCCCCCCCCCCOc1ccccc1[C@@H]1C=NN(c2ccc(S(=O)(=O)[O-])cc2)C1=O ZINC000100854445 554493379 /nfs/dbraw/zinc/49/33/79/554493379.db2.gz YJPOGYNOFMQAQV-LJAQVGFWSA-N -1 1 556.769 7.910 50 30 KKEAMM CCCCCCCCCCCCCCCCOc1ccccc1-c1c[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c1=O ZINC000100854445 554493382 /nfs/dbraw/zinc/49/33/82/554493382.db2.gz YJPOGYNOFMQAQV-LJAQVGFWSA-N -1 1 556.769 7.910 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000101062494 554570676 /nfs/dbraw/zinc/57/06/76/554570676.db2.gz KEBDVNFCQQRJRR-YDJIHCHBSA-N -1 1 526.343 5.269 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000101069821 554574414 /nfs/dbraw/zinc/57/44/14/554574414.db2.gz POZKHLZQVTVRCU-NHFXJNLRSA-N -1 1 536.731 6.748 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000101072961 554576524 /nfs/dbraw/zinc/57/65/24/554576524.db2.gz UKCVADHUNBKUIP-YDJIHCHBSA-N -1 1 560.242 6.123 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000101072858 554576587 /nfs/dbraw/zinc/57/65/87/554576587.db2.gz QQPQCVBIGSNWQX-MOBKVPTQSA-N -1 1 583.847 6.110 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101100194 554586795 /nfs/dbraw/zinc/58/67/95/554586795.db2.gz BWYIXYJQEJJSKB-IAMBOQNYSA-N -1 1 553.865 6.955 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101100184 554586811 /nfs/dbraw/zinc/58/68/11/554586811.db2.gz MYUZHLVCPZNIHK-MRJHHRETSA-N -1 1 523.383 6.133 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccccc2OCC)nc1C ZINC000101276783 554703302 /nfs/dbraw/zinc/70/33/02/554703302.db2.gz CULOYJGCSNIPHX-AYWGPLOBSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OCC)nc1C ZINC000101276783 554703305 /nfs/dbraw/zinc/70/33/05/554703305.db2.gz CULOYJGCSNIPHX-AYWGPLOBSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000101276787 554703358 /nfs/dbraw/zinc/70/33/58/554703358.db2.gz SLJYPJFFKLYQKB-DFXXOVSGSA-N -1 1 594.689 6.616 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000101278040 554704508 /nfs/dbraw/zinc/70/45/08/554704508.db2.gz KCIPDPATWKRDNT-ONQGDUAMSA-N -1 1 596.661 6.014 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000101278223 554704856 /nfs/dbraw/zinc/70/48/56/554704856.db2.gz LJXBQFNXDZLCPG-CTVAMRBASA-N -1 1 551.020 5.397 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101293986 554710351 /nfs/dbraw/zinc/71/03/51/554710351.db2.gz MUORBGZRWKBHRH-IUKMQXEJSA-N -1 1 514.578 6.189 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101293986 554710355 /nfs/dbraw/zinc/71/03/55/554710355.db2.gz MUORBGZRWKBHRH-IUKMQXEJSA-N -1 1 514.578 6.189 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294126 554710632 /nfs/dbraw/zinc/71/06/32/554710632.db2.gz BEGKZYZNDAPAQC-SBXHHDGASA-N -1 1 500.576 5.951 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294126 554710633 /nfs/dbraw/zinc/71/06/33/554710633.db2.gz BEGKZYZNDAPAQC-SBXHHDGASA-N -1 1 500.576 5.951 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101293992 554710660 /nfs/dbraw/zinc/71/06/60/554710660.db2.gz VMRHOCTWBOIHMY-AYWGPLOBSA-N -1 1 504.514 5.766 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101294246 554710895 /nfs/dbraw/zinc/71/08/95/554710895.db2.gz MZFYKDGBAYVSFI-HTUFKCTLSA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101294246 554710898 /nfs/dbraw/zinc/71/08/98/554710898.db2.gz MZFYKDGBAYVSFI-HTUFKCTLSA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294228 554710901 /nfs/dbraw/zinc/71/09/01/554710901.db2.gz MPHZLDYCWXABLD-SSELITHESA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294228 554710903 /nfs/dbraw/zinc/71/09/03/554710903.db2.gz MPHZLDYCWXABLD-SSELITHESA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101294222 554710942 /nfs/dbraw/zinc/71/09/42/554710942.db2.gz GYDKRBGTAFHIRU-ROBPHKHBSA-N -1 1 538.625 6.119 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000101310228 554717228 /nfs/dbraw/zinc/71/72/28/554717228.db2.gz LCHFLHGLYGFMFJ-AQUGINBJSA-N -1 1 596.705 6.826 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000101310226 554717319 /nfs/dbraw/zinc/71/73/19/554717319.db2.gz LCHFLHGLYGFMFJ-LLRJPKBTSA-N -1 1 596.705 6.826 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310295 554717598 /nfs/dbraw/zinc/71/75/98/554717598.db2.gz UYDCIPAVGVGJBP-NXLSVDECSA-N -1 1 612.704 6.608 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313747 554722183 /nfs/dbraw/zinc/72/21/83/554722183.db2.gz DKLQAMORAQPBON-IKZPYDRGSA-N -1 1 554.624 5.819 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000101313734 554722212 /nfs/dbraw/zinc/72/22/12/554722212.db2.gz HJMOHZVMTZWQHJ-SSELITHESA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000101313734 554722213 /nfs/dbraw/zinc/72/22/13/554722213.db2.gz HJMOHZVMTZWQHJ-SSELITHESA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000101313736 554722242 /nfs/dbraw/zinc/72/22/42/554722242.db2.gz HJMOHZVMTZWQHJ-RFAFYKRUSA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000101313736 554722243 /nfs/dbraw/zinc/72/22/43/554722243.db2.gz HJMOHZVMTZWQHJ-RFAFYKRUSA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000101316856 554723895 /nfs/dbraw/zinc/72/38/95/554723895.db2.gz PPUMWZZHRBONIC-JVJOXMINSA-N -1 1 615.708 6.484 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000101316859 554723908 /nfs/dbraw/zinc/72/39/08/554723908.db2.gz PPUMWZZHRBONIC-ROBPHKHBSA-N -1 1 615.708 6.484 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000101316901 554724150 /nfs/dbraw/zinc/72/41/50/554724150.db2.gz PXEHBELKMCGSNM-CZNAVJSXSA-N -1 1 599.690 5.793 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000101338218 554734795 /nfs/dbraw/zinc/73/47/95/554734795.db2.gz JNSMYSZVJDIXKA-HSZRJFAPSA-N -1 1 610.088 6.501 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(N(C)C)cc2)cc1F ZINC000101338211 554734813 /nfs/dbraw/zinc/73/48/13/554734813.db2.gz AVUWZWUCBUYJMI-DEOSSOPVSA-N -1 1 595.121 6.780 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000101344368 554736663 /nfs/dbraw/zinc/73/66/63/554736663.db2.gz OUQVXBRTINMHGV-MHZLTWQESA-N -1 1 597.693 7.223 50 30 KKEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000101376322 554746343 /nfs/dbraw/zinc/74/63/43/554746343.db2.gz NASZIKHQRLLJHV-OAQYLSRUSA-N -1 1 538.069 5.933 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102076572 554874847 /nfs/dbraw/zinc/87/48/47/554874847.db2.gz JMMWTGIGTHZLKX-VXJPNWOUSA-N -1 1 568.695 6.979 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076828 554875074 /nfs/dbraw/zinc/87/50/74/554875074.db2.gz XVNNAILFQOPKEZ-UUALVTFQSA-N -1 1 591.085 6.772 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102076804 554875135 /nfs/dbraw/zinc/87/51/35/554875135.db2.gz RZOFFHVNBCATOK-NPJIAGGLSA-N -1 1 562.644 5.477 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102078889 554875512 /nfs/dbraw/zinc/87/55/12/554875512.db2.gz IQDFFUDBVHJKCP-MNOIWJKESA-N -1 1 627.788 7.205 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102078898 554875525 /nfs/dbraw/zinc/87/55/25/554875525.db2.gz IQDFFUDBVHJKCP-YJMWBXFMSA-N -1 1 627.788 7.205 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102078903 554875737 /nfs/dbraw/zinc/87/57/37/554875737.db2.gz UYIOENBYOWBUCM-DFXXOVSGSA-N -1 1 629.760 6.653 50 30 KKEAMM O=C(CC/C(=N\[O-])[C@@H](C(=O)c1ccc(Br)cc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000102299868 554908231 /nfs/dbraw/zinc/90/82/31/554908231.db2.gz ANQWRVUXGDCDIT-HUWXKKFSSA-N -1 1 534.237 6.972 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102401859 554920044 /nfs/dbraw/zinc/92/00/44/554920044.db2.gz WMNRCCFRJHPXFV-ZHHPLPSFSA-N -1 1 518.591 5.175 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102485282 554937971 /nfs/dbraw/zinc/93/79/71/554937971.db2.gz RVBQEVOVFAOFCV-KQAPWQHSSA-N -1 1 530.602 5.565 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000102486864 554938467 /nfs/dbraw/zinc/93/84/67/554938467.db2.gz BDGISKPRXCUTLU-JBCNATCCSA-N -1 1 511.372 5.370 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000102486864 554938469 /nfs/dbraw/zinc/93/84/69/554938469.db2.gz BDGISKPRXCUTLU-JBCNATCCSA-N -1 1 511.372 5.370 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102487834 554938502 /nfs/dbraw/zinc/93/85/02/554938502.db2.gz QSAWLLYDWMLVGG-QKJBWNOYSA-N -1 1 544.629 5.955 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102487844 554938600 /nfs/dbraw/zinc/93/86/00/554938600.db2.gz QSAWLLYDWMLVGG-KQAPWQHSSA-N -1 1 544.629 5.955 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102491314 554939315 /nfs/dbraw/zinc/93/93/15/554939315.db2.gz HSYXSTMMMXKYOU-ZHHPLPSFSA-N -1 1 504.539 5.469 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102492892 554939716 /nfs/dbraw/zinc/93/97/16/554939716.db2.gz NFGPANVWQHVKPP-HOGKFDNTSA-N -1 1 506.967 5.593 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102495994 554940581 /nfs/dbraw/zinc/94/05/81/554940581.db2.gz QXECPYKHWQPUJW-NXLSWJSLSA-N -1 1 516.575 5.339 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102505370 554944581 /nfs/dbraw/zinc/94/45/81/554944581.db2.gz GRCGAXCYCMRQSA-AYWGPLOBSA-N -1 1 516.575 5.257 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102508218 554945446 /nfs/dbraw/zinc/94/54/46/554945446.db2.gz CYUWKBPFYFUADM-MOBKVPTQSA-N -1 1 508.502 5.218 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102508627 554945685 /nfs/dbraw/zinc/94/56/85/554945685.db2.gz IIWBMUDXATWXES-MRJHHRETSA-N -1 1 508.502 5.218 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102511229 554946186 /nfs/dbraw/zinc/94/61/86/554946186.db2.gz ZTUVTZMLQOYKAF-ZHHPLPSFSA-N -1 1 549.446 6.392 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102511229 554946189 /nfs/dbraw/zinc/94/61/89/554946189.db2.gz ZTUVTZMLQOYKAF-ZHHPLPSFSA-N -1 1 549.446 6.392 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102513491 554947026 /nfs/dbraw/zinc/94/70/26/554947026.db2.gz JUGUHHYKGFZWMS-NHFXJNLRSA-N -1 1 526.998 5.225 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102516552 554947860 /nfs/dbraw/zinc/94/78/60/554947860.db2.gz SRRGIMJFMPGXMJ-HOGKFDNTSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102516552 554947861 /nfs/dbraw/zinc/94/78/61/554947861.db2.gz SRRGIMJFMPGXMJ-HOGKFDNTSA-N -1 1 504.539 5.387 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102518270 554948944 /nfs/dbraw/zinc/94/89/44/554948944.db2.gz WMECLYJRJRADKA-QKJBWNOYSA-N -1 1 514.603 5.947 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102525182 554951646 /nfs/dbraw/zinc/95/16/46/554951646.db2.gz PYUNOQFISYRQMI-NPJIAGGLSA-N -1 1 516.594 6.584 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102527804 554952733 /nfs/dbraw/zinc/95/27/33/554952733.db2.gz XAYIFVDGZWAHQA-NPJIAGGLSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102527804 554952734 /nfs/dbraw/zinc/95/27/34/554952734.db2.gz XAYIFVDGZWAHQA-NPJIAGGLSA-N -1 1 546.601 5.347 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102530920 554953885 /nfs/dbraw/zinc/95/38/85/554953885.db2.gz HKYSPVGLDTYFSQ-UVDRRRQGSA-N -1 1 528.586 5.335 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102530910 554953938 /nfs/dbraw/zinc/95/39/38/554953938.db2.gz HKYSPVGLDTYFSQ-ZZIWUOEGSA-N -1 1 528.586 5.335 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102538604 554956594 /nfs/dbraw/zinc/95/65/94/554956594.db2.gz HQZUPFCNRJSYNK-MOBKVPTQSA-N -1 1 520.538 5.088 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102542938 554958140 /nfs/dbraw/zinc/95/81/40/554958140.db2.gz RAWMHLHISZAYLH-NXLSWJSLSA-N -1 1 551.020 5.992 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102542928 554958184 /nfs/dbraw/zinc/95/81/84/554958184.db2.gz RAWMHLHISZAYLH-SBXHHDGASA-N -1 1 551.020 5.992 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102546653 554959310 /nfs/dbraw/zinc/95/93/10/554959310.db2.gz PGLWOUMMOXGRTE-FWOIGAHVSA-N -1 1 581.477 6.952 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102546376 554959394 /nfs/dbraw/zinc/95/93/94/554959394.db2.gz HDYTVSCYVDCQLG-AQUGINBJSA-N -1 1 598.721 7.050 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102546859 554959681 /nfs/dbraw/zinc/95/96/81/554959681.db2.gz LVOZOFLAAJFTJN-OGHRCCBNSA-N -1 1 589.670 5.928 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102547436 554959981 /nfs/dbraw/zinc/95/99/81/554959981.db2.gz CECIJFWGVKLNEO-CZNAVJSXSA-N -1 1 526.614 6.056 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102548624 554960525 /nfs/dbraw/zinc/96/05/25/554960525.db2.gz QDJLITPFNHGVSS-UTDZTPKCSA-N -1 1 614.720 6.744 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102548916 554960570 /nfs/dbraw/zinc/96/05/70/554960570.db2.gz ABRLQZFVXMEBCH-KYWXLPDZSA-N -1 1 565.420 6.148 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102550686 554961673 /nfs/dbraw/zinc/96/16/73/554961673.db2.gz BGVFESSXRRYENF-UJWLLDLUSA-N -1 1 542.613 5.572 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000102553005 554962782 /nfs/dbraw/zinc/96/27/82/554962782.db2.gz VRAWDZRFMYEJGL-AZIATFRCSA-N -1 1 602.712 7.442 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102554420 554963792 /nfs/dbraw/zinc/96/37/92/554963792.db2.gz SIBMBKMCRRABMQ-CJJGVWJISA-N -1 1 528.630 6.372 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102555851 554964355 /nfs/dbraw/zinc/96/43/55/554964355.db2.gz BSCJSQIBGKIKJB-PDZZUNKHSA-N -1 1 588.657 6.573 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102555851 554964356 /nfs/dbraw/zinc/96/43/56/554964356.db2.gz BSCJSQIBGKIKJB-PDZZUNKHSA-N -1 1 588.657 6.573 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102557573 554965324 /nfs/dbraw/zinc/96/53/24/554965324.db2.gz VRLDWSOIKRNOGX-OTQMSCLFSA-N -1 1 576.671 5.757 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102557573 554965326 /nfs/dbraw/zinc/96/53/26/554965326.db2.gz VRLDWSOIKRNOGX-OTQMSCLFSA-N -1 1 576.671 5.757 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102559847 554967219 /nfs/dbraw/zinc/96/72/19/554967219.db2.gz ITVQGEYQNUMPBG-IOUQRVAPSA-N -1 1 585.707 6.097 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102560149 554967486 /nfs/dbraw/zinc/96/74/86/554967486.db2.gz OTCXKTNBYVXJDY-HALAOQOWSA-N -1 1 561.457 6.317 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102560504 554967523 /nfs/dbraw/zinc/96/75/23/554967523.db2.gz XHDKUQWGJSGNFG-SLPYKNDMSA-N -1 1 584.694 6.880 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102560387 554967575 /nfs/dbraw/zinc/96/75/75/554967575.db2.gz GKNBULDDKPQHPM-QMMFTLRZSA-N -1 1 630.719 6.526 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102560156 554967593 /nfs/dbraw/zinc/96/75/93/554967593.db2.gz OTCXKTNBYVXJDY-AIKCTZLLSA-N -1 1 561.457 6.317 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102561056 554968035 /nfs/dbraw/zinc/96/80/35/554968035.db2.gz CFTDZQANBPBEHM-AIKCTZLLSA-N -1 1 500.551 5.694 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102561428 554968314 /nfs/dbraw/zinc/96/83/14/554968314.db2.gz ICJBSHULJCAZFF-VGZNNGDKSA-N -1 1 598.721 7.132 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000102563041 554968758 /nfs/dbraw/zinc/96/87/58/554968758.db2.gz BYXTUXUEWKTTQK-ZHHPLPSFSA-N -1 1 534.634 5.660 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102563012 554968785 /nfs/dbraw/zinc/96/87/85/554968785.db2.gz PCDGDWLUGBWKLS-LLAWDOGUSA-N -1 1 575.086 7.078 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102563012 554968788 /nfs/dbraw/zinc/96/87/88/554968788.db2.gz PCDGDWLUGBWKLS-LLAWDOGUSA-N -1 1 575.086 7.078 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102564811 554969682 /nfs/dbraw/zinc/96/96/82/554969682.db2.gz UXGRPSNYHSLLJZ-SMOAUKQDSA-N -1 1 604.684 6.834 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102568945 554970203 /nfs/dbraw/zinc/97/02/03/554970203.db2.gz NJBLRTBZKKKBCY-FPRSLYQBSA-N -1 1 570.667 6.434 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000102570551 554970304 /nfs/dbraw/zinc/97/03/04/554970304.db2.gz JVMTWIZMZVBYIA-YFFBQLFZSA-N -1 1 504.589 5.316 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102575851 554971490 /nfs/dbraw/zinc/97/14/90/554971490.db2.gz RKHMZLNNNWTEFP-AIKCTZLLSA-N -1 1 594.089 6.573 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102576332 554971813 /nfs/dbraw/zinc/97/18/13/554971813.db2.gz AKIIVLULWONQOS-IUKMQXEJSA-N -1 1 578.643 5.239 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000102581646 554972723 /nfs/dbraw/zinc/97/27/23/554972723.db2.gz JATYWBOHUUMXBR-YDJIHCHBSA-N -1 1 513.384 5.148 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102586738 554973358 /nfs/dbraw/zinc/97/33/58/554973358.db2.gz UEVPYOSUSDJRQZ-IUKMQXEJSA-N -1 1 512.587 5.565 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102596671 554977143 /nfs/dbraw/zinc/97/71/43/554977143.db2.gz GUXQUNIZHZYFBE-CJJGVWJISA-N -1 1 592.670 5.629 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102599285 554977411 /nfs/dbraw/zinc/97/74/11/554977411.db2.gz WIIYLGYALSDKOO-AYWGPLOBSA-N -1 1 596.061 6.020 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102610470 554980772 /nfs/dbraw/zinc/98/07/72/554980772.db2.gz BSFPEMHCEMBYLB-UUALVTFQSA-N -1 1 615.733 6.325 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000102622196 554987476 /nfs/dbraw/zinc/98/74/76/554987476.db2.gz GQMSSHKTLODGCW-ZHHPLPSFSA-N -1 1 577.615 5.073 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102623008 554987643 /nfs/dbraw/zinc/98/76/43/554987643.db2.gz GNWMSTQDUWAUQN-ONQGDUAMSA-N -1 1 611.676 6.520 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102650941 554995602 /nfs/dbraw/zinc/99/56/02/554995602.db2.gz LLRCBKKAZMGIJC-KGBBCNSRSA-N -1 1 565.478 7.170 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102650941 554995604 /nfs/dbraw/zinc/99/56/04/554995604.db2.gz LLRCBKKAZMGIJC-KGBBCNSRSA-N -1 1 565.478 7.170 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102651452 554995962 /nfs/dbraw/zinc/99/59/62/554995962.db2.gz ISIDYMRBXQAAAD-DFXXOVSGSA-N -1 1 602.665 5.890 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102651452 554995964 /nfs/dbraw/zinc/99/59/64/554995964.db2.gz ISIDYMRBXQAAAD-DFXXOVSGSA-N -1 1 602.665 5.890 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102651491 554996093 /nfs/dbraw/zinc/99/60/93/554996093.db2.gz ZVUXVOHNCRCTPF-ROBPHKHBSA-N -1 1 596.661 5.767 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102651491 554996096 /nfs/dbraw/zinc/99/60/96/554996096.db2.gz ZVUXVOHNCRCTPF-ROBPHKHBSA-N -1 1 596.661 5.767 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102651557 554996187 /nfs/dbraw/zinc/99/61/87/554996187.db2.gz CHIANQSMUNBYCC-ZHHPLPSFSA-N -1 1 548.617 5.149 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102651557 554996189 /nfs/dbraw/zinc/99/61/89/554996189.db2.gz CHIANQSMUNBYCC-ZHHPLPSFSA-N -1 1 548.617 5.149 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102653554 554997143 /nfs/dbraw/zinc/99/71/43/554997143.db2.gz VLOMKZGINBDUQG-CJJGVWJISA-N -1 1 600.649 5.466 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102653736 554997396 /nfs/dbraw/zinc/99/73/96/554997396.db2.gz KCGQOJOZVAIBLA-BBHOXHGRSA-N -1 1 610.544 7.087 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102653941 554997446 /nfs/dbraw/zinc/99/74/46/554997446.db2.gz BSCJSQIBGKIKJB-JDSQIOQSSA-N -1 1 588.657 6.573 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102653941 554997448 /nfs/dbraw/zinc/99/74/48/554997448.db2.gz BSCJSQIBGKIKJB-JDSQIOQSSA-N -1 1 588.657 6.573 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102654719 554997654 /nfs/dbraw/zinc/99/76/54/554997654.db2.gz IHLZJUIYRSSNBV-XKNZNLGKSA-N -1 1 570.667 6.434 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102655893 554998735 /nfs/dbraw/zinc/99/87/35/554998735.db2.gz PJNJRJMWNLPGHS-GRBPGWBESA-N -1 1 619.139 7.333 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102664300 555001165 /nfs/dbraw/zinc/00/11/65/555001165.db2.gz JVEIDLADPWFWMF-OFNYXUPYSA-N -1 1 558.631 6.564 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102664300 555001168 /nfs/dbraw/zinc/00/11/68/555001168.db2.gz JVEIDLADPWFWMF-OFNYXUPYSA-N -1 1 558.631 6.564 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102663829 555001223 /nfs/dbraw/zinc/00/12/23/555001223.db2.gz LARFBJZKZVJTET-WGQAXHKASA-N -1 1 516.550 5.394 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102663829 555001224 /nfs/dbraw/zinc/00/12/24/555001224.db2.gz LARFBJZKZVJTET-WGQAXHKASA-N -1 1 516.550 5.394 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102671676 555002672 /nfs/dbraw/zinc/00/26/72/555002672.db2.gz MVHKTIMSHCQZAQ-NXLSWJSLSA-N -1 1 514.559 5.011 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102675396 555003749 /nfs/dbraw/zinc/00/37/49/555003749.db2.gz QXAIZQWVOSSERS-BBHOXHGRSA-N -1 1 594.089 6.573 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102679218 555004789 /nfs/dbraw/zinc/00/47/89/555004789.db2.gz MPHNXZIRBAMDLZ-HALAOQOWSA-N -1 1 575.643 5.625 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102678847 555004821 /nfs/dbraw/zinc/00/48/21/555004821.db2.gz SJBARLIUXUSWCH-VDGASQMCSA-N -1 1 616.711 7.209 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102678847 555004824 /nfs/dbraw/zinc/00/48/24/555004824.db2.gz SJBARLIUXUSWCH-VDGASQMCSA-N -1 1 616.711 7.209 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000102694416 555009437 /nfs/dbraw/zinc/00/94/37/555009437.db2.gz UAYCAVUOIRUNOW-COUQNMRISA-N -1 1 549.446 6.311 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102694150 555009563 /nfs/dbraw/zinc/00/95/63/555009563.db2.gz PSFRAJHLGKHSDS-ZHHPLPSFSA-N -1 1 504.633 6.335 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102693999 555009575 /nfs/dbraw/zinc/00/95/75/555009575.db2.gz HUYQVKHYDUMYNB-NHFXJNLRSA-N -1 1 509.381 5.841 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102697427 555011958 /nfs/dbraw/zinc/01/19/58/555011958.db2.gz XJKDCOCGKJGOAO-NPJIAGGLSA-N -1 1 516.594 6.413 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102697427 555011960 /nfs/dbraw/zinc/01/19/60/555011960.db2.gz XJKDCOCGKJGOAO-NPJIAGGLSA-N -1 1 516.594 6.413 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102704423 555013997 /nfs/dbraw/zinc/01/39/97/555013997.db2.gz ZEMCOQGAIBXAPQ-UVDRRRQGSA-N -1 1 529.574 5.765 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102710752 555016441 /nfs/dbraw/zinc/01/64/41/555016441.db2.gz ODHRLFOLMJIUEQ-JBCNATCCSA-N -1 1 523.408 6.149 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102713128 555017751 /nfs/dbraw/zinc/01/77/51/555017751.db2.gz BTWRAVPBHDCFDL-SBXHHDGASA-N -1 1 516.575 5.344 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000102714411 555018315 /nfs/dbraw/zinc/01/83/15/555018315.db2.gz BZYYSEGETWHQPL-NXLSWJSLSA-N -1 1 516.575 5.257 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000102716900 555018911 /nfs/dbraw/zinc/01/89/11/555018911.db2.gz YQLLUERVHDSAFV-KQAPWQHSSA-N -1 1 530.602 5.565 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102717146 555019293 /nfs/dbraw/zinc/01/92/93/555019293.db2.gz RCBYLTDSNHMKCM-NHFXJNLRSA-N -1 1 525.449 6.309 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102725484 555021198 /nfs/dbraw/zinc/02/11/98/555021198.db2.gz CFRMZSFTHAZPTR-IUKMQXEJSA-N -1 1 544.629 5.901 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC(C)C)cc2)c1 ZINC000102729944 555023251 /nfs/dbraw/zinc/02/32/51/555023251.db2.gz YTCOMQHNSHOFEQ-IUKMQXEJSA-N -1 1 514.603 6.027 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102730834 555023501 /nfs/dbraw/zinc/02/35/01/555023501.db2.gz KOSGXLGFYKICPH-CZNAVJSXSA-N -1 1 512.631 6.581 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102730939 555023789 /nfs/dbraw/zinc/02/37/89/555023789.db2.gz QSMOCYHTNLDBMO-YDJIHCHBSA-N -1 1 509.381 5.841 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102734704 555024994 /nfs/dbraw/zinc/02/49/94/555024994.db2.gz IPJMHXLPKUYXJD-ZHHPLPSFSA-N -1 1 531.546 5.156 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102735474 555025576 /nfs/dbraw/zinc/02/55/76/555025576.db2.gz KBNHGJJMAILFAX-NNZNMFTDSA-N -1 1 588.685 7.133 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102735543 555025828 /nfs/dbraw/zinc/02/58/28/555025828.db2.gz AKWSCRIRFNPPCA-JNYBUSFRSA-N -1 1 588.685 7.133 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735555 555025892 /nfs/dbraw/zinc/02/58/92/555025892.db2.gz AOMFXNQLRZDOAH-IZSGBISHSA-N -1 1 609.103 7.478 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735555 555025894 /nfs/dbraw/zinc/02/58/94/555025894.db2.gz AOMFXNQLRZDOAH-IZSGBISHSA-N -1 1 609.103 7.478 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735552 555025897 /nfs/dbraw/zinc/02/58/97/555025897.db2.gz AOMFXNQLRZDOAH-YZUJGMDRSA-N -1 1 609.103 7.478 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735552 555025900 /nfs/dbraw/zinc/02/59/00/555025900.db2.gz AOMFXNQLRZDOAH-YZUJGMDRSA-N -1 1 609.103 7.478 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102737006 555026361 /nfs/dbraw/zinc/02/63/61/555026361.db2.gz QLUGADQCJFSLRD-RKQXULEVSA-N -1 1 541.585 5.771 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736930 555026386 /nfs/dbraw/zinc/02/63/86/555026386.db2.gz FGDSXLUFVPIPLJ-FECHNCLXSA-N -1 1 547.976 5.808 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000102736994 555026424 /nfs/dbraw/zinc/02/64/24/555026424.db2.gz GODSRMBHFPUGCQ-YMCWBSDSSA-N -1 1 518.978 5.605 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000102736994 555026427 /nfs/dbraw/zinc/02/64/27/555026427.db2.gz GODSRMBHFPUGCQ-YMCWBSDSSA-N -1 1 518.978 5.605 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736939 555026471 /nfs/dbraw/zinc/02/64/71/555026471.db2.gz CSORDWJNGNFVGM-FECHNCLXSA-N -1 1 531.521 5.293 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102770937 555058519 /nfs/dbraw/zinc/05/85/19/555058519.db2.gz QWAFOVOHNLWIFG-SSELITHESA-N -1 1 528.605 6.509 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102770948 555058973 /nfs/dbraw/zinc/05/89/73/555058973.db2.gz RANMIEHHWOVNED-YREDKMEYSA-N -1 1 597.762 7.212 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102770948 555058976 /nfs/dbraw/zinc/05/89/76/555058976.db2.gz RANMIEHHWOVNED-YREDKMEYSA-N -1 1 597.762 7.212 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102770982 555059007 /nfs/dbraw/zinc/05/90/07/555059007.db2.gz RXJGTPYEQMADRS-ROBPHKHBSA-N -1 1 618.180 7.557 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102770982 555059008 /nfs/dbraw/zinc/05/90/08/555059008.db2.gz RXJGTPYEQMADRS-ROBPHKHBSA-N -1 1 618.180 7.557 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102770955 555059085 /nfs/dbraw/zinc/05/90/85/555059085.db2.gz RANMIEHHWOVNED-LODGOHBISA-N -1 1 597.762 7.212 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102770955 555059086 /nfs/dbraw/zinc/05/90/86/555059086.db2.gz RANMIEHHWOVNED-LODGOHBISA-N -1 1 597.762 7.212 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102770989 555059112 /nfs/dbraw/zinc/05/91/12/555059112.db2.gz TVEJMXCEMCTENZ-JVJOXMINSA-N -1 1 601.725 7.043 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102770989 555059113 /nfs/dbraw/zinc/05/91/13/555059113.db2.gz TVEJMXCEMCTENZ-JVJOXMINSA-N -1 1 601.725 7.043 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102771083 555059278 /nfs/dbraw/zinc/05/92/78/555059278.db2.gz ZVQSGAPBXAOJJI-RKQXULEVSA-N -1 1 531.033 6.516 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102771086 555059355 /nfs/dbraw/zinc/05/93/55/555059355.db2.gz ZVQSGAPBXAOJJI-NIOKHIIOSA-N -1 1 531.033 6.516 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102771080 555059421 /nfs/dbraw/zinc/05/94/21/555059421.db2.gz ZVQSGAPBXAOJJI-ZTLVYLBESA-N -1 1 531.033 6.516 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102771023 555059518 /nfs/dbraw/zinc/05/95/18/555059518.db2.gz IPRDAECSNPLPKC-BBHOXHGRSA-N -1 1 500.551 5.694 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102771337 555060287 /nfs/dbraw/zinc/06/02/87/555060287.db2.gz SLNZQTBQQJFPDY-BBHOXHGRSA-N -1 1 527.558 5.463 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccs3)ccc2O1 ZINC000102771546 555060565 /nfs/dbraw/zinc/06/05/65/555060565.db2.gz NOBWSQFCHBHUCV-HDTBSZCESA-N -1 1 509.008 5.961 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102858557 555089436 /nfs/dbraw/zinc/08/94/36/555089436.db2.gz YMBNEOINHJREEW-NXLSWJSLSA-N -1 1 564.591 5.486 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102858550 555089451 /nfs/dbraw/zinc/08/94/51/555089451.db2.gz NZKNQAABLQTMOG-JBCNATCCSA-N -1 1 524.570 5.182 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102859306 555089649 /nfs/dbraw/zinc/08/96/49/555089649.db2.gz DGBVGVYGXQPGKH-BUANBSPESA-N -1 1 515.547 5.456 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102861548 555091491 /nfs/dbraw/zinc/09/14/91/555091491.db2.gz ILLKLCBEFJWBTQ-MRJHHRETSA-N -1 1 522.941 5.502 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102861601 555091557 /nfs/dbraw/zinc/09/15/57/555091557.db2.gz KTAKARHYGNUMAE-COUQNMRISA-N -1 1 549.446 6.311 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102865125 555094917 /nfs/dbraw/zinc/09/49/17/555094917.db2.gz HAZKIRBYKNWTHQ-MOBKVPTQSA-N -1 1 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/nfs/dbraw/zinc/09/79/80/555097980.db2.gz UXUCTMCKQMZBIH-KNZGKXHUSA-N -1 1 607.482 6.031 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000102868469 555097983 /nfs/dbraw/zinc/09/79/83/555097983.db2.gz UXUCTMCKQMZBIH-KNZGKXHUSA-N -1 1 607.482 6.031 50 30 KKEAMM Cc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102869228 555098544 /nfs/dbraw/zinc/09/85/44/555098544.db2.gz GAUIZDOODRXRBD-AYWGPLOBSA-N -1 1 518.978 5.656 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102869228 555098547 /nfs/dbraw/zinc/09/85/47/555098547.db2.gz GAUIZDOODRXRBD-AYWGPLOBSA-N -1 1 518.978 5.656 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccccc2F)cc1 ZINC000102869099 555098622 /nfs/dbraw/zinc/09/86/22/555098622.db2.gz ATRNNJBBCKQESI-NXLSWJSLSA-N -1 1 502.567 6.023 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccccc2F)cc1 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COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102869680 555099492 /nfs/dbraw/zinc/09/94/92/555099492.db2.gz WKBVHZAVEIJZDT-WGQAXHKASA-N -1 1 577.456 6.017 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102870020 555099693 /nfs/dbraw/zinc/09/96/93/555099693.db2.gz RABNQCANCXSBRS-JRPVAJNPSA-N -1 1 591.483 6.407 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102870011 555099722 /nfs/dbraw/zinc/09/97/22/555099722.db2.gz RABNQCANCXSBRS-HAQIDCBSSA-N -1 1 591.483 6.407 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000102869992 555099761 /nfs/dbraw/zinc/09/97/61/555099761.db2.gz UVMKHUYRQJGVOS-YTOFDDCBSA-N -1 1 604.684 6.890 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102870160 555100067 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CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102870056 555100170 /nfs/dbraw/zinc/10/01/70/555100170.db2.gz BGPDUHYKNOFSDC-IOUQRVAPSA-N -1 1 590.698 6.003 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102872239 555102822 /nfs/dbraw/zinc/10/28/22/555102822.db2.gz XYCLMLKJOOZHBT-UTDZTPKCSA-N -1 1 614.720 6.888 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102872751 555103159 /nfs/dbraw/zinc/10/31/59/555103159.db2.gz XPBLJQYQKAZHAE-SBXHHDGASA-N -1 1 534.565 5.478 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102874810 555104883 /nfs/dbraw/zinc/10/48/83/555104883.db2.gz BZCRFEHPOSDKTJ-MOBKVPTQSA-N -1 1 535.419 6.002 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102874810 555104886 /nfs/dbraw/zinc/10/48/86/555104886.db2.gz BZCRFEHPOSDKTJ-MOBKVPTQSA-N -1 1 535.419 6.002 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102879331 555108503 /nfs/dbraw/zinc/10/85/03/555108503.db2.gz RIGKEERXZCGIDF-COUQNMRISA-N -1 1 549.446 6.311 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102880013 555108905 /nfs/dbraw/zinc/10/89/05/555108905.db2.gz XXVXMAIWSWJSPK-AYWGPLOBSA-N -1 1 520.994 5.983 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102880112 555109038 /nfs/dbraw/zinc/10/90/38/555109038.db2.gz GIUDJNKDKADMJG-CZNAVJSXSA-N -1 1 528.630 6.453 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102880114 555109050 /nfs/dbraw/zinc/10/90/50/555109050.db2.gz GIUDJNKDKADMJG-CJJGVWJISA-N -1 1 528.630 6.453 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102882908 555111443 /nfs/dbraw/zinc/11/14/43/555111443.db2.gz QPUGTNJIYCUKMK-AYWGPLOBSA-N -1 1 520.538 5.088 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102883493 555111997 /nfs/dbraw/zinc/11/19/97/555111997.db2.gz SHHLDHWGMTTXOK-HRIGBTNYSA-N -1 1 542.613 5.577 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102883841 555112380 /nfs/dbraw/zinc/11/23/80/555112380.db2.gz NTUXJUUDVICZJN-JFTLGNCFSA-N -1 1 530.577 5.784 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102883841 555112383 /nfs/dbraw/zinc/11/23/83/555112383.db2.gz NTUXJUUDVICZJN-JFTLGNCFSA-N -1 1 530.577 5.784 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102883967 555112596 /nfs/dbraw/zinc/11/25/96/555112596.db2.gz CVMXMKXZPBYRQR-ZHHPLPSFSA-N -1 1 569.422 6.009 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102884188 555112830 /nfs/dbraw/zinc/11/28/30/555112830.db2.gz NNQSEOUKTKWKJE-ONQGDUAMSA-N -1 1 556.640 6.181 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102884346 555113164 /nfs/dbraw/zinc/11/31/64/555113164.db2.gz CDONGKQZFJKPBD-QNIVJUIWSA-N -1 1 606.125 6.442 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102884406 555113498 /nfs/dbraw/zinc/11/34/98/555113498.db2.gz URQDIUNGHVBFOQ-TVXPFAQOSA-N -1 1 526.614 5.953 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102884404 555113544 /nfs/dbraw/zinc/11/35/44/555113544.db2.gz URQDIUNGHVBFOQ-XVTRYDTASA-N -1 1 526.614 5.953 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102884674 555114197 /nfs/dbraw/zinc/11/41/97/555114197.db2.gz VJRUVOHCRTVLLJ-UVDRRRQGSA-N -1 1 543.557 5.219 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102884674 555114199 /nfs/dbraw/zinc/11/41/99/555114199.db2.gz VJRUVOHCRTVLLJ-UVDRRRQGSA-N -1 1 543.557 5.219 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102884796 555114571 /nfs/dbraw/zinc/11/45/71/555114571.db2.gz RVRONKCYPLHIOQ-LLAWDOGUSA-N -1 1 556.640 5.962 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102885014 555114879 /nfs/dbraw/zinc/11/48/79/555114879.db2.gz ITTVUIGMSANNNE-AMKIGSDESA-N -1 1 526.614 5.953 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102885411 555115397 /nfs/dbraw/zinc/11/53/97/555115397.db2.gz IAHZHVVUXNSECS-JRPVAJNPSA-N -1 1 531.033 6.462 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102886252 555116641 /nfs/dbraw/zinc/11/66/41/555116641.db2.gz SSSVFQUORNPMHA-CKXNDDTFSA-N -1 1 572.639 5.749 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000102886680 555117269 /nfs/dbraw/zinc/11/72/69/555117269.db2.gz CKYDGXHMBNNJFI-BBHOXHGRSA-N -1 1 513.575 5.040 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000102886680 555117271 /nfs/dbraw/zinc/11/72/71/555117271.db2.gz CKYDGXHMBNNJFI-BBHOXHGRSA-N -1 1 513.575 5.040 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102886745 555117310 /nfs/dbraw/zinc/11/73/10/555117310.db2.gz KGCFTELPXKBUHC-IZSGBISHSA-N -1 1 614.720 6.832 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102886646 555117329 /nfs/dbraw/zinc/11/73/29/555117329.db2.gz BYFNZARDCCOXRA-HTUFKCTLSA-N -1 1 542.613 5.653 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102886750 555117336 /nfs/dbraw/zinc/11/73/36/555117336.db2.gz KGCFTELPXKBUHC-YZUJGMDRSA-N -1 1 614.720 6.832 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102886829 555117584 /nfs/dbraw/zinc/11/75/84/555117584.db2.gz RIECCSSGYSHMBL-WGGXKBPPSA-N -1 1 616.692 6.136 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102887155 555118251 /nfs/dbraw/zinc/11/82/51/555118251.db2.gz IHNBFGHVAILJJJ-CKXNDDTFSA-N -1 1 602.665 5.671 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102887155 555118252 /nfs/dbraw/zinc/11/82/52/555118252.db2.gz IHNBFGHVAILJJJ-CKXNDDTFSA-N -1 1 602.665 5.671 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102887079 555118273 /nfs/dbraw/zinc/11/82/73/555118273.db2.gz HTWZZAUQHVPKSQ-VEZPTTSMSA-N -1 1 606.656 6.281 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102887079 555118274 /nfs/dbraw/zinc/11/82/74/555118274.db2.gz HTWZZAUQHVPKSQ-VEZPTTSMSA-N -1 1 606.656 6.281 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102887290 555118913 /nfs/dbraw/zinc/11/89/13/555118913.db2.gz UQRFWAPZBXUMTG-FLJNSMSWSA-N -1 1 600.693 6.442 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102887290 555118915 /nfs/dbraw/zinc/11/89/15/555118915.db2.gz UQRFWAPZBXUMTG-FLJNSMSWSA-N -1 1 600.693 6.442 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102887324 555118963 /nfs/dbraw/zinc/11/89/63/555118963.db2.gz LJWWOEMPRVQPGO-VEZPTTSMSA-N -1 1 590.657 6.581 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102887429 555119287 /nfs/dbraw/zinc/11/92/87/555119287.db2.gz SQBOGJXESIFOPF-WNQPQFFOSA-N -1 1 606.697 5.765 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000102887356 555119297 /nfs/dbraw/zinc/11/92/97/555119297.db2.gz MXSGMNPGGXBBAC-WYNCGZBVSA-N -1 1 629.760 6.578 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102887437 555119305 /nfs/dbraw/zinc/11/93/05/555119305.db2.gz SQBOGJXESIFOPF-AMKIGSDESA-N -1 1 606.697 5.765 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102887728 555119901 /nfs/dbraw/zinc/11/99/01/555119901.db2.gz OSUROUUHUGWTRO-NGAXIMOQSA-N -1 1 602.709 6.313 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102887728 555119902 /nfs/dbraw/zinc/11/99/02/555119902.db2.gz OSUROUUHUGWTRO-NGAXIMOQSA-N -1 1 602.709 6.313 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102887783 555120124 /nfs/dbraw/zinc/12/01/24/555120124.db2.gz SEEXHYXBJFGPBG-FSDXSRJSSA-N -1 1 617.680 5.706 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000102887756 555120174 /nfs/dbraw/zinc/12/01/74/555120174.db2.gz BOLUSANVDUIYRP-LOOKCOSASA-N -1 1 632.735 6.322 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000102887756 555120176 /nfs/dbraw/zinc/12/01/76/555120176.db2.gz BOLUSANVDUIYRP-LOOKCOSASA-N -1 1 632.735 6.322 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102888061 555120842 /nfs/dbraw/zinc/12/08/42/555120842.db2.gz LQPONVLMFCMRNH-HOGKFDNTSA-N -1 1 522.941 5.486 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102888597 555121907 /nfs/dbraw/zinc/12/19/07/555121907.db2.gz XXBOMZGHXUHKKE-WGGXKBPPSA-N -1 1 600.693 6.517 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102888597 555121909 /nfs/dbraw/zinc/12/19/09/555121909.db2.gz XXBOMZGHXUHKKE-WGGXKBPPSA-N -1 1 600.693 6.517 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102888678 555121945 /nfs/dbraw/zinc/12/19/45/555121945.db2.gz WRHWXEJMMNPUDF-FZIUWASMSA-N -1 1 588.638 5.280 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102888678 555121947 /nfs/dbraw/zinc/12/19/47/555121947.db2.gz WRHWXEJMMNPUDF-FZIUWASMSA-N -1 1 588.638 5.280 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102888850 555122495 /nfs/dbraw/zinc/12/24/95/555122495.db2.gz OTRCYTZUMXLPFG-HAQIDCBSSA-N -1 1 547.032 6.298 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888954 555122817 /nfs/dbraw/zinc/12/28/17/555122817.db2.gz CHQCVWBAMOCWKO-HYVCFMKYSA-N -1 1 584.694 6.824 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102889432 555123820 /nfs/dbraw/zinc/12/38/20/555123820.db2.gz LVIPKUBSJPBSMR-LXBWGSFOSA-N -1 1 570.667 6.270 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102889679 555124146 /nfs/dbraw/zinc/12/41/46/555124146.db2.gz IJBNXKVFNQTNGO-UUALVTFQSA-N -1 1 582.678 6.314 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102889753 555124310 /nfs/dbraw/zinc/12/43/10/555124310.db2.gz KAFUPGWNMLNMOQ-CGKJMNDRSA-N -1 1 547.032 6.298 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102889753 555124311 /nfs/dbraw/zinc/12/43/11/555124311.db2.gz KAFUPGWNMLNMOQ-CGKJMNDRSA-N -1 1 547.032 6.298 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102890255 555125251 /nfs/dbraw/zinc/12/52/51/555125251.db2.gz LMFXTJDJEBKINU-HYVCFMKYSA-N -1 1 584.694 6.680 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102890726 555125763 /nfs/dbraw/zinc/12/57/63/555125763.db2.gz MOMHOPISKAQHTD-YMMFOPJESA-N -1 1 562.644 5.367 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102890726 555125766 /nfs/dbraw/zinc/12/57/66/555125766.db2.gz MOMHOPISKAQHTD-YMMFOPJESA-N -1 1 562.644 5.367 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102890613 555125927 /nfs/dbraw/zinc/12/59/27/555125927.db2.gz LNNUCCRRMHOXRE-ZHHPLPSFSA-N -1 1 520.632 5.954 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102890613 555125929 /nfs/dbraw/zinc/12/59/29/555125929.db2.gz LNNUCCRRMHOXRE-ZHHPLPSFSA-N -1 1 520.632 5.954 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000102890695 555125944 /nfs/dbraw/zinc/12/59/44/555125944.db2.gz IPNLVASIYZKNPW-TXTDGAROSA-N -1 1 602.665 5.890 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000102890695 555125946 /nfs/dbraw/zinc/12/59/46/555125946.db2.gz IPNLVASIYZKNPW-TXTDGAROSA-N -1 1 602.665 5.890 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102891354 555127123 /nfs/dbraw/zinc/12/71/23/555127123.db2.gz KUPSLWUMVLRKBJ-SBXHHDGASA-N -1 1 583.449 6.399 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102891997 555128193 /nfs/dbraw/zinc/12/81/93/555128193.db2.gz IVCUMHFCTVAFEW-WGQAXHKASA-N -1 1 533.005 5.908 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000102892276 555128462 /nfs/dbraw/zinc/12/84/62/555128462.db2.gz VJEJGLSBEGLNGA-FWOIGAHVSA-N -1 1 593.057 5.925 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102892465 555128671 /nfs/dbraw/zinc/12/86/71/555128671.db2.gz XOSZUOHTEKFQFC-FSDXSRJSSA-N -1 1 512.587 5.563 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102893118 555129828 /nfs/dbraw/zinc/12/98/28/555129828.db2.gz WNAFSJGAXLMZIV-XCSSDTEYSA-N -1 1 590.698 6.147 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102893118 555129831 /nfs/dbraw/zinc/12/98/31/555129831.db2.gz WNAFSJGAXLMZIV-XCSSDTEYSA-N -1 1 590.698 6.147 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000102893372 555130794 /nfs/dbraw/zinc/13/07/94/555130794.db2.gz AKTJLYXQLCEYGW-BFLOGMOSSA-N -1 1 588.682 5.923 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000102893372 555130797 /nfs/dbraw/zinc/13/07/97/555130797.db2.gz AKTJLYXQLCEYGW-BFLOGMOSSA-N -1 1 588.682 5.923 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893627 555131271 /nfs/dbraw/zinc/13/12/71/555131271.db2.gz HBLHPJWNWZFGQP-UUALVTFQSA-N -1 1 588.638 5.500 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893850 555131634 /nfs/dbraw/zinc/13/16/34/555131634.db2.gz FUCIBNKLRCFZRC-QKJBWNOYSA-N -1 1 528.586 5.319 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894682 555132934 /nfs/dbraw/zinc/13/29/34/555132934.db2.gz LFAKLNLXGLNMGT-JFTLGNCFSA-N -1 1 547.032 6.298 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894682 555132936 /nfs/dbraw/zinc/13/29/36/555132936.db2.gz LFAKLNLXGLNMGT-JFTLGNCFSA-N -1 1 547.032 6.298 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102894868 555133166 /nfs/dbraw/zinc/13/31/66/555133166.db2.gz NNHQTLOKAKBSEC-ONQGDUAMSA-N -1 1 572.639 5.881 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102894868 555133169 /nfs/dbraw/zinc/13/31/69/555133169.db2.gz NNHQTLOKAKBSEC-ONQGDUAMSA-N -1 1 572.639 5.881 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)c1 ZINC000102894910 555133185 /nfs/dbraw/zinc/13/31/85/555133185.db2.gz UJRAYRJYRSHTPD-IUKMQXEJSA-N -1 1 512.587 5.665 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)c1 ZINC000102894910 555133187 /nfs/dbraw/zinc/13/31/87/555133187.db2.gz UJRAYRJYRSHTPD-IUKMQXEJSA-N -1 1 512.587 5.665 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102895049 555133511 /nfs/dbraw/zinc/13/35/11/555133511.db2.gz CQPSKRMPVMJZKL-CKXNDDTFSA-N -1 1 572.639 5.662 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102895311 555134076 /nfs/dbraw/zinc/13/40/76/555134076.db2.gz OJPSBTBQVLNYDP-HWTUVFLMSA-N -1 1 584.694 6.742 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102895309 555134122 /nfs/dbraw/zinc/13/41/22/555134122.db2.gz OJPSBTBQVLNYDP-QMDVFYPZSA-N -1 1 584.694 6.742 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895299 555134175 /nfs/dbraw/zinc/13/41/75/555134175.db2.gz PIZAIKGBJNXDET-KNZGKXHUSA-N -1 1 533.005 5.908 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895299 555134177 /nfs/dbraw/zinc/13/41/77/555134177.db2.gz PIZAIKGBJNXDET-KNZGKXHUSA-N -1 1 533.005 5.908 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000102895378 555134299 /nfs/dbraw/zinc/13/42/99/555134299.db2.gz PGDTYAMIJJXLGD-UUALVTFQSA-N -1 1 539.657 6.484 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102895973 555135519 /nfs/dbraw/zinc/13/55/19/555135519.db2.gz SJQULERKCMGNBU-KQAPWQHSSA-N -1 1 530.602 5.652 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102896342 555136289 /nfs/dbraw/zinc/13/62/89/555136289.db2.gz BZQKCDGEJVZXGW-DFXXOVSGSA-N -1 1 610.732 7.049 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000102896637 555136534 /nfs/dbraw/zinc/13/65/34/555136534.db2.gz PHRJUSZWGCCWID-YTOFDDCBSA-N -1 1 604.684 6.890 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000102898139 555138236 /nfs/dbraw/zinc/13/82/36/555138236.db2.gz LSBACRVIMTVQHE-CZNAVJSXSA-N -1 1 520.582 5.442 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102898209 555138254 /nfs/dbraw/zinc/13/82/54/555138254.db2.gz QMUIXTXCYBZYPR-ZZIWUOEGSA-N -1 1 563.473 6.619 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102926133 555150456 /nfs/dbraw/zinc/15/04/56/555150456.db2.gz BHRIFGDMDBYRHW-SBXHHDGASA-N -1 1 500.576 5.638 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@@H]2c2cccc(Cl)c2)s1 ZINC000102930827 555157996 /nfs/dbraw/zinc/15/79/96/555157996.db2.gz JQASGVCHFAMTIU-NXLSWJSLSA-N -1 1 532.021 6.014 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102930847 555158108 /nfs/dbraw/zinc/15/81/08/555158108.db2.gz ZJLSAINQNGEGIU-VFJWVMJUSA-N -1 1 506.898 5.051 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102933109 555160461 /nfs/dbraw/zinc/16/04/61/555160461.db2.gz KFEAGRQIINKBPN-BUANBSPESA-N -1 1 518.566 5.696 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000102935207 555162486 /nfs/dbraw/zinc/16/24/86/555162486.db2.gz UHKBEPRQMGRAAM-NHFXJNLRSA-N -1 1 515.791 6.014 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000102937662 555165635 /nfs/dbraw/zinc/16/56/35/555165635.db2.gz DLNQMQIWCHMUFB-VWLOTQADSA-N -1 1 621.649 5.080 50 30 KKEAMM CCc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Br)cc(I)c3[O-])S2)cc1 ZINC000103729022 555465465 /nfs/dbraw/zinc/46/54/65/555465465.db2.gz LCLVQGRVTGGRBQ-OVCLIPMQSA-N -1 1 529.197 5.213 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000103854530 571365888 /nfs/dbraw/zinc/36/58/88/571365888.db2.gz BZGQLUAWTHTLPD-ZHHPLPSFSA-N -1 1 536.378 5.261 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000103854530 571365889 /nfs/dbraw/zinc/36/58/89/571365889.db2.gz BZGQLUAWTHTLPD-ZHHPLPSFSA-N -1 1 536.378 5.261 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000103929043 571370154 /nfs/dbraw/zinc/37/01/54/571370154.db2.gz GYUDLXVMAZJHKC-CZNAVJSXSA-N -1 1 584.650 6.364 50 30 KKEAMM CC(C)(C)c1cc(Br)c([O-])c(/C=N\[C@H]2CCCC[C@H]2/N=C\c2cc(C(C)(C)C)cc(Br)c2O)c1 ZINC000106503991 571412820 /nfs/dbraw/zinc/41/28/20/571412820.db2.gz GKAZTXGRLZTVSO-XSBLGQSASA-N -1 1 592.416 8.067 50 30 KKEAMM CC(C)(C)c1cc(Br)c([O-])c(/C=N\[C@@H]2CCCC[C@@H]2/N=C\c2cc(C(C)(C)C)cc(Br)c2O)c1 ZINC000106503991 571412821 /nfs/dbraw/zinc/41/28/21/571412821.db2.gz GKAZTXGRLZTVSO-XSBLGQSASA-N -1 1 592.416 8.067 50 30 KKEAMM Cc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(I)cc(I)c1[O-])C1=C(CCCC1=O)O2 ZINC000150388751 571471056 /nfs/dbraw/zinc/47/10/56/571471056.db2.gz HLHKTZJIJCLUFG-OAQYLSRUSA-N -1 1 638.243 5.686 50 30 KKEAMM CCCCCCCCCCCCCCCCCCOc1ccccc1-n1c([O-])c(Sc2nnnn2-c2ccccc2)c2ccccc2c1=O ZINC000150391518 571473861 /nfs/dbraw/zinc/47/38/61/571473861.db2.gz ZYSWTYWXGJBAFY-QNGWXLTQSA-N -1 1 681.947 10.323 50 30 KKEAMM C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000150409865 571482289 /nfs/dbraw/zinc/48/22/89/571482289.db2.gz URYIJMLZWNQQCL-UHFFFAOYSA-N -1 1 667.209 5.611 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150417253 571486079 /nfs/dbraw/zinc/48/60/79/571486079.db2.gz QXIKCNIHSRXFPB-DFXXOVSGSA-N -1 1 645.759 6.334 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000150424785 571489326 /nfs/dbraw/zinc/48/93/26/571489326.db2.gz CTAWVJVNFGXURT-VEZPTTSMSA-N -1 1 742.703 8.358 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000150424778 571489349 /nfs/dbraw/zinc/48/93/49/571489349.db2.gz GBPUHCCXKPGCJX-SMOAUKQDSA-N -1 1 740.731 8.911 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000150424764 571489367 /nfs/dbraw/zinc/48/93/67/571489367.db2.gz GBPUHCCXKPGCJX-YSJQHINGSA-N -1 1 740.731 8.911 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150426547 571490684 /nfs/dbraw/zinc/49/06/84/571490684.db2.gz GLFTVGYGNRKUDZ-HAQIDCBSSA-N -1 1 668.580 6.874 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000150426795 571491112 /nfs/dbraw/zinc/49/11/12/571491112.db2.gz GOCQOEBYHGTZJY-QNIVJUIWSA-N -1 1 634.135 6.220 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000150427654 571491796 /nfs/dbraw/zinc/49/17/96/571491796.db2.gz QSUZWZDAXVEFJU-WGGXKBPPSA-N -1 1 642.730 6.549 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000150432485 571494364 /nfs/dbraw/zinc/49/43/64/571494364.db2.gz JWKYSSGLNKEAQT-VWLOTQADSA-N -1 1 624.096 6.444 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000150433128 571494467 /nfs/dbraw/zinc/49/44/67/571494467.db2.gz HBVCTDUPFCMFRJ-HSZRJFAPSA-N -1 1 630.487 6.282 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000150435340 571495266 /nfs/dbraw/zinc/49/52/66/571495266.db2.gz HKPVEOLRDSIAQY-PMERELPUSA-N -1 1 640.758 8.018 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150435207 571495282 /nfs/dbraw/zinc/49/52/82/571495282.db2.gz OONYXFYLFHRRNU-CJJGVWJISA-N -1 1 654.597 7.658 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000150435510 571495458 /nfs/dbraw/zinc/49/54/58/571495458.db2.gz DAGLJGLTWUUADW-JOZOHXTNSA-N -1 1 726.276 8.411 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000150435582 571495481 /nfs/dbraw/zinc/49/54/81/571495481.db2.gz ZZILABCOXMIXAC-CBOKBIJUSA-N -1 1 760.721 9.065 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000150435518 571495572 /nfs/dbraw/zinc/49/55/72/571495572.db2.gz DAGLJGLTWUUADW-QCRSBAEDSA-N -1 1 726.276 8.411 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000150435556 571495603 /nfs/dbraw/zinc/49/56/03/571495603.db2.gz LOSQQCCTQRVVIX-QCRSBAEDSA-N -1 1 709.821 7.897 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000150439741 571497667 /nfs/dbraw/zinc/49/76/67/571497667.db2.gz OGQOSLZHSITRKY-KFLIVHAJSA-N -1 1 693.803 7.206 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000150439718 571497711 /nfs/dbraw/zinc/49/77/11/571497711.db2.gz UCYRZWYTLNYIBE-ANBMCXBTSA-N -1 1 691.831 7.758 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150445201 571500145 /nfs/dbraw/zinc/50/01/45/571500145.db2.gz FFRKMZWTZWKYLW-WAUVLBAPSA-N -1 1 629.485 5.055 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445794 571500697 /nfs/dbraw/zinc/50/06/97/571500697.db2.gz JETAQCNSEVDWLS-QBCYBHDASA-N -1 1 662.233 7.858 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453809 571503793 /nfs/dbraw/zinc/50/37/93/571503793.db2.gz OFSFZJIZXPIFLN-CBOKBIJUSA-N -1 1 648.737 7.232 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453809 571503794 /nfs/dbraw/zinc/50/37/94/571503794.db2.gz OFSFZJIZXPIFLN-CBOKBIJUSA-N -1 1 648.737 7.232 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150457524 571504866 /nfs/dbraw/zinc/50/48/66/571504866.db2.gz NRFLOGLIMJYIIX-DNNDWWBDSA-N -1 1 645.778 7.488 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150457520 571505038 /nfs/dbraw/zinc/50/50/38/571505038.db2.gz NRFLOGLIMJYIIX-VXJPNWOUSA-N -1 1 645.778 7.488 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150457457 571505059 /nfs/dbraw/zinc/50/50/59/571505059.db2.gz VNVYFURFWXKENR-UGQRDJPYSA-N -1 1 677.848 8.358 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150458481 571505523 /nfs/dbraw/zinc/50/55/23/571505523.db2.gz NCJXTFSZHJPPNU-UGQRDJPYSA-N -1 1 677.848 8.502 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150459199 571505686 /nfs/dbraw/zinc/50/56/86/571505686.db2.gz HGKKTZNKTYTPJK-FZIYRNTBSA-N -1 1 634.179 7.222 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C ZINC000150459743 571505856 /nfs/dbraw/zinc/50/58/56/571505856.db2.gz FAOJREGVWPWXOA-DFXXOVSGSA-N -1 1 648.734 6.160 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000150460504 571506064 /nfs/dbraw/zinc/50/60/64/571506064.db2.gz XUHBUAZGIZRTQC-XYGUOAIHSA-N -1 1 627.900 6.376 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150460461 571506078 /nfs/dbraw/zinc/50/60/78/571506078.db2.gz ALQKXVGNBJDBLA-HYVCFMKYSA-N -1 1 661.777 7.107 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150460650 571506108 /nfs/dbraw/zinc/50/61/08/571506108.db2.gz LXHVFFQYHQIHKY-PSPOUMMOSA-N -1 1 707.874 8.511 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000150460521 571506193 /nfs/dbraw/zinc/50/61/93/571506193.db2.gz XUHBUAZGIZRTQC-RSERVXPISA-N -1 1 627.900 6.376 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150461437 571506366 /nfs/dbraw/zinc/50/63/66/571506366.db2.gz NWBXBFHSXWCVNY-WYNCGZBVSA-N -1 1 631.751 7.098 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150461046 571506376 /nfs/dbraw/zinc/50/63/76/571506376.db2.gz DYYSCCKMEOSIMP-NNZNMFTDSA-N -1 1 649.794 7.722 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150463337 571506894 /nfs/dbraw/zinc/50/68/94/571506894.db2.gz JRXFWVPVMBRSDX-LHRXRZTBSA-N -1 1 641.496 5.221 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463173 571506986 /nfs/dbraw/zinc/50/69/86/571506986.db2.gz IDKBOMZMDYJKGY-QBCYBHDASA-N -1 1 662.233 7.858 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150462875 571507037 /nfs/dbraw/zinc/50/70/37/571507037.db2.gz ZVYZBUBZZSZXNM-QMNXYOJKSA-N -1 1 675.804 7.497 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463170 571507060 /nfs/dbraw/zinc/50/70/60/571507060.db2.gz IDKBOMZMDYJKGY-VXJPNWOUSA-N -1 1 662.233 7.858 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150463515 571507327 /nfs/dbraw/zinc/50/73/27/571507327.db2.gz KLHFHAIGLXADFB-DNNDWWBDSA-N -1 1 645.778 7.344 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150464431 571507637 /nfs/dbraw/zinc/50/76/37/571507637.db2.gz UIGXRKOXTLMZAE-NYFCFKJUSA-N -1 1 712.677 8.274 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150466088 571507914 /nfs/dbraw/zinc/50/79/14/571507914.db2.gz LBDPJTIUJPUCTP-RIEKNRFYSA-N -1 1 666.752 6.722 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150466088 571507915 /nfs/dbraw/zinc/50/79/15/571507915.db2.gz LBDPJTIUJPUCTP-RIEKNRFYSA-N -1 1 666.752 6.722 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150466144 571507921 /nfs/dbraw/zinc/50/79/21/571507921.db2.gz MXAJRSUWDWHJCK-QJGFIUGVSA-N -1 1 645.778 7.488 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150467504 571508092 /nfs/dbraw/zinc/50/80/92/571508092.db2.gz JKMPBZDLKOXVGM-CJJGVWJISA-N -1 1 668.580 7.100 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000150472709 571510183 /nfs/dbraw/zinc/51/01/83/571510183.db2.gz JVGWSARPEKHLOS-FSISNWKMSA-N -1 1 628.534 7.226 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150476828 571511031 /nfs/dbraw/zinc/51/10/31/571511031.db2.gz RFWJPSNBOKFQGD-DFXXOVSGSA-N -1 1 664.205 7.306 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150481234 571512459 /nfs/dbraw/zinc/51/24/59/571512459.db2.gz KQLDPVDQRDSSCP-DFXXOVSGSA-N -1 1 698.650 8.104 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150486545 571516392 /nfs/dbraw/zinc/51/63/92/571516392.db2.gz MMGBAGCJGIQDKJ-CZNAVJSXSA-N -1 1 636.151 6.670 50 30 KKEAMM CCCCCOP(=O)(OCCCCC)[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2)C=C(Br)C(=O)c2ccccc21 ZINC000150494381 571517526 /nfs/dbraw/zinc/51/75/26/571517526.db2.gz TUAQDOXYNBEZFD-AREMUKBSSA-N -1 1 632.941 7.553 50 30 KKEAMM COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000252589182 572266448 /nfs/dbraw/zinc/26/64/48/572266448.db2.gz AHZJRNIDVPQIAP-WJQQQHEKSA-N -1 1 588.321 7.351 50 30 KKEAMM COCCN1C(=O)/C(=C\c2cc(Br)cc(I)c2[O-])SC1=Nc1ccccc1 ZINC000252603910 572267626 /nfs/dbraw/zinc/26/76/26/572267626.db2.gz FUHMMECVYBZMJU-BTWTVLLVSA-N -1 1 559.223 5.010 50 30 KKEAMM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)[n-]n1C(C)C)[C@H]2c1ccc(OC)c(OC)c1 ZINC000824603015 1071284597 /nfs/dbraw/zinc/28/45/97/1071284597.db2.gz USQVQWFHGOATIB-PZIAGZOVSA-N -1 1 610.063 5.292 50 30 KKEAMM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(N=NCc2c3ccccc3cc3ccccc32)c([N+](=O)[O-])c1 ZINC000254838415 1072883569 /nfs/dbraw/zinc/88/35/69/1072883569.db2.gz MJMGCAGZNJCTOH-UHFFFAOYSA-N -1 1 540.557 5.846 50 30 KKEAMM CCCCCCCCCCCCCCCCCC(=O)Nc1c(NC(=O)c2cc(S(=O)(=O)[O-])c3ccccc3c2O)ccc2ccccc21 ZINC000150495896 1072905793 /nfs/dbraw/zinc/90/57/93/1072905793.db2.gz XLIJQISZTYRLFZ-UHFFFAOYSA-N -1 1 674.904 10.398 50 30 KKEAMM CCCCCCCCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)[O-])c3ccccc3c2O)cc(C(=O)OCCCCCCCC)c1 ZINC000150505912 1072905917 /nfs/dbraw/zinc/90/59/17/1072905917.db2.gz JRKOHDHFOYVDKG-UHFFFAOYSA-N -1 1 655.810 8.079 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000000631134 551505067 /nfs/dbraw/zinc/50/50/67/551505067.db2.gz XSWXZQIPVGUTQQ-LJQANCHMSA-N -1 1 512.971 5.073 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)ccc1O ZINC000000720181 551536927 /nfs/dbraw/zinc/53/69/27/551536927.db2.gz WZKAILLZMJJXPJ-XMMPIXPASA-N -1 1 538.394 5.653 50 30 KKEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000959797 551590082 /nfs/dbraw/zinc/59/00/82/551590082.db2.gz DHNTYEXBFMBKLX-OAQYLSRUSA-N -1 1 524.042 5.630 50 30 KKEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001097620 551608027 /nfs/dbraw/zinc/60/80/27/551608027.db2.gz HRLPTMVMFGNOFG-XBBWARJSSA-N -1 1 545.979 6.014 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000001103842 551609484 /nfs/dbraw/zinc/60/94/84/551609484.db2.gz HTVXAUMAKQLUOP-NDEPHWFRSA-N -1 1 540.572 5.752 50 30 KKEAMM COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243210 551631166 /nfs/dbraw/zinc/63/11/66/551631166.db2.gz QTLMVTVGDJFWIA-GDJIYFAZSA-N -1 1 530.602 5.300 50 30 KKEAMM C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(Br)cc4)c3)sc2C1 ZINC000001427434 551669434 /nfs/dbraw/zinc/66/94/34/551669434.db2.gz WPXIHYNIIXIHRQ-AWEZNQCLSA-N -1 1 530.469 5.560 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000001450354 551675131 /nfs/dbraw/zinc/67/51/31/551675131.db2.gz UTSRKLBGGPCTKR-DEOSSOPVSA-N -1 1 528.586 5.491 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000001450344 551675262 /nfs/dbraw/zinc/67/52/62/551675262.db2.gz OERCUOUEMVJCEF-DEOSSOPVSA-N -1 1 528.586 5.491 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000001450605 551675582 /nfs/dbraw/zinc/67/55/82/551675582.db2.gz PYIIPDYLNWEYOD-HXUWFJFHSA-N -1 1 509.381 5.997 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000001450361 551675591 /nfs/dbraw/zinc/67/55/91/551675591.db2.gz XOAUMGMPCKCPDB-RUZDIDTESA-N -1 1 560.628 5.730 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000001451060 551675646 /nfs/dbraw/zinc/67/56/46/551675646.db2.gz ROSLLASECVFJCB-XMMPIXPASA-N -1 1 500.576 5.795 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000001451434 551676013 /nfs/dbraw/zinc/67/60/13/551676013.db2.gz JRUDHPHKGXFBGV-NRFANRHFSA-N -1 1 523.408 6.306 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001451685 551676371 /nfs/dbraw/zinc/67/63/71/551676371.db2.gz QJLWBUDECCDTNM-XMMPIXPASA-N -1 1 534.565 5.634 50 30 KKEAMM COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457411 551677094 /nfs/dbraw/zinc/67/70/94/551677094.db2.gz PQRIYVITRYNSCS-JCOAXYOVSA-N -1 1 526.589 5.469 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001457585 551677267 /nfs/dbraw/zinc/67/72/67/551677267.db2.gz VRQJMAFWZJYLJT-KCEHZKJRSA-N -1 1 567.642 6.658 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001479969 551681470 /nfs/dbraw/zinc/68/14/70/551681470.db2.gz PHVBIUCKTWKAFW-QHCPKHFHSA-N -1 1 534.590 5.623 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001479969 551681472 /nfs/dbraw/zinc/68/14/72/551681472.db2.gz PHVBIUCKTWKAFW-QHCPKHFHSA-N -1 1 534.590 5.623 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000001480135 551681600 /nfs/dbraw/zinc/68/16/00/551681600.db2.gz YZUATBVWXOERON-HSZRJFAPSA-N -1 1 532.574 5.114 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000001480135 551681601 /nfs/dbraw/zinc/68/16/01/551681601.db2.gz YZUATBVWXOERON-HSZRJFAPSA-N -1 1 532.574 5.114 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001480154 551681636 /nfs/dbraw/zinc/68/16/36/551681636.db2.gz XQXSLEDQEKHJCO-QFIPXVFZSA-N -1 1 536.993 5.758 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480868 551682185 /nfs/dbraw/zinc/68/21/85/551682185.db2.gz UJXHWGZSQQIENN-DEOSSOPVSA-N -1 1 534.565 5.634 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(Br)c1)c1ccc(Br)cc1 ZINC000001481237 551682252 /nfs/dbraw/zinc/68/22/52/551682252.db2.gz PTAYNRRUSPDBLB-MRXNPFEDSA-N -1 1 520.202 5.451 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001482368 551682958 /nfs/dbraw/zinc/68/29/58/551682958.db2.gz DMCFDLVOMBGZMH-DEOSSOPVSA-N -1 1 534.565 5.634 50 30 KKEAMM CN(C)c1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002719436 552163715 /nfs/dbraw/zinc/16/37/15/552163715.db2.gz YJVZYFARONZPDH-JOCHJYFZSA-N -1 1 531.638 5.649 50 30 KKEAMM CCOc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000002719224 552163762 /nfs/dbraw/zinc/16/37/62/552163762.db2.gz ZMNFFYYSOKSDPH-OAQYLSRUSA-N -1 1 504.568 5.346 50 30 KKEAMM [O-]c1c(I)cccc1/C=N/c1ccc2nc(-c3ccc(Br)cc3)oc2c1 ZINC000003085117 552286162 /nfs/dbraw/zinc/28/61/62/552286162.db2.gz DAWXPFTXAQPMNY-FOKLQQMPSA-N -1 1 519.136 6.318 50 30 KKEAMM COc1ccc([N-]S(=O)(=O)c2cc(-n3c(N)c(C#N)c(C#N)c3-c3cccc(Cl)c3)ccc2N2CCCCC2)cc1 ZINC000003273260 552332847 /nfs/dbraw/zinc/33/28/47/552332847.db2.gz QHPIUINIKBVSPE-UHFFFAOYSA-N -1 1 587.105 5.923 50 30 KKEAMM N#Cc1c([N-]C(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2[N+](=O)[O-])sc2c1CCCCC2 ZINC000003287397 552338148 /nfs/dbraw/zinc/33/81/48/552338148.db2.gz KYUYXYBLHJCDFH-UHFFFAOYSA-N -1 1 559.673 6.504 50 30 KKEAMM O=[N+]([O-])c1cc(Cc2ccccc2)cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1[O-] ZINC000004090231 552434964 /nfs/dbraw/zinc/43/49/64/552434964.db2.gz YALIYZAXQZVOLG-NDZAJKAJSA-N -1 1 532.564 6.009 50 30 KKEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000004793571 552485209 /nfs/dbraw/zinc/48/52/09/552485209.db2.gz ACRYYQZNGRMBJX-QFIPXVFZSA-N -1 1 550.522 6.642 50 30 KKEAMM O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)c1c(=O)[n-]c(SCc3cccc([N+](=O)[O-])c3)nc1N2 ZINC000004793714 552485540 /nfs/dbraw/zinc/48/55/40/552485540.db2.gz BCDWTAMXNYJAIV-LJQANCHMSA-N -1 1 539.411 5.297 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(Cl)c3)[n-]c(=O)c1[C@H]2c1ccc(Br)cc1 ZINC000004793631 552485593 /nfs/dbraw/zinc/48/55/93/552485593.db2.gz DXQRHEUNFNHHNT-FQEVSTJZSA-N -1 1 556.913 6.679 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355902 552498971 /nfs/dbraw/zinc/49/89/71/552498971.db2.gz UHNPQBGQBUFRRV-QFIPXVFZSA-N -1 1 520.607 5.508 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355902 552498973 /nfs/dbraw/zinc/49/89/73/552498973.db2.gz UHNPQBGQBUFRRV-QFIPXVFZSA-N -1 1 520.607 5.508 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355597 552499014 /nfs/dbraw/zinc/49/90/14/552499014.db2.gz FRGGTRBJECFARK-RUZDIDTESA-N -1 1 578.687 6.297 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000005356942 552499160 /nfs/dbraw/zinc/49/91/60/552499160.db2.gz RVOZNHLHNYRTIM-NRFANRHFSA-N -1 1 539.053 6.362 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000005356942 552499162 /nfs/dbraw/zinc/49/91/62/552499162.db2.gz RVOZNHLHNYRTIM-NRFANRHFSA-N -1 1 539.053 6.362 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000005918665 552511626 /nfs/dbraw/zinc/51/16/26/552511626.db2.gz CPWXMAVLODQFDH-HSZRJFAPSA-N -1 1 566.632 5.217 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[n-]c(=O)c1[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000005917848 552511780 /nfs/dbraw/zinc/51/17/80/552511780.db2.gz ABEVQNBAKIDVEZ-MHZLTWQESA-N -1 1 584.141 7.495 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005919198 552512345 /nfs/dbraw/zinc/51/23/45/552512345.db2.gz VPMOTLDERGMULN-VWLOTQADSA-N -1 1 578.687 6.297 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000005919193 552512443 /nfs/dbraw/zinc/51/24/43/552512443.db2.gz YENSGDCFDIQIDN-DEOSSOPVSA-N -1 1 564.660 5.907 50 30 KKEAMM CCOc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006143594 552545197 /nfs/dbraw/zinc/54/51/97/552545197.db2.gz COBZFNCIXXTLHW-QFIPXVFZSA-N -1 1 522.070 6.315 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000006143549 552545200 /nfs/dbraw/zinc/54/52/00/552545200.db2.gz LBPOFPJNLJDILH-RUZDIDTESA-N -1 1 576.627 5.512 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000006143549 552545202 /nfs/dbraw/zinc/54/52/02/552545202.db2.gz LBPOFPJNLJDILH-RUZDIDTESA-N -1 1 576.627 5.512 50 30 KKEAMM CCN(CC)c1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006143587 552545240 /nfs/dbraw/zinc/54/52/40/552545240.db2.gz QJFLMCNYTQPTJC-DEOSSOPVSA-N -1 1 532.685 6.248 50 30 KKEAMM COc1cc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000006143596 552545404 /nfs/dbraw/zinc/54/54/04/552545404.db2.gz DHNTYEXBFMBKLX-NRFANRHFSA-N -1 1 524.042 5.630 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000006445381 552587664 /nfs/dbraw/zinc/58/76/64/552587664.db2.gz MDGKUTLYHFQUEX-FQEVSTJZSA-N -1 1 536.731 6.904 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000008383428 552986453 /nfs/dbraw/zinc/98/64/53/552986453.db2.gz OKRRPCFPUIIMIF-MHZLTWQESA-N -1 1 632.163 8.192 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000008383427 552986564 /nfs/dbraw/zinc/98/65/64/552986564.db2.gz OKRRPCFPUIIMIF-HHHXNRCGSA-N -1 1 632.163 8.192 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC ZINC000008383458 552986800 /nfs/dbraw/zinc/98/68/00/552986800.db2.gz ZWILMJBEOCXOMT-AREMUKBSSA-N -1 1 617.680 6.906 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000008384010 552988747 /nfs/dbraw/zinc/98/87/47/552988747.db2.gz ONBSTHHNWJIZGF-HHHXNRCGSA-N -1 1 581.719 7.791 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1O ZINC000008384077 552988810 /nfs/dbraw/zinc/98/88/10/552988810.db2.gz ZTNRIATZYPCUQH-VWLOTQADSA-N -1 1 620.108 7.117 50 30 KKEAMM COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccc(F)c2)cc(OC)c1OC ZINC000008432426 553026097 /nfs/dbraw/zinc/02/60/97/553026097.db2.gz ATWFLZVWWLZNAF-KKIUXKEOSA-N -1 1 574.605 5.617 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000008433280 553028582 /nfs/dbraw/zinc/02/85/82/553028582.db2.gz DJOHXYKSEGUAKQ-DEOSSOPVSA-N -1 1 548.661 6.242 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000008441226 553040052 /nfs/dbraw/zinc/04/00/52/553040052.db2.gz MUJFCCUJMRIPPP-LJAQVGFWSA-N -1 1 617.708 8.152 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008441710 553041859 /nfs/dbraw/zinc/04/18/59/553041859.db2.gz WTSQRMUIKCLZEM-MHZLTWQESA-N -1 1 536.609 7.007 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccs3)sc2c1 ZINC000008441747 553042174 /nfs/dbraw/zinc/04/21/74/553042174.db2.gz JAVBZXOIYYCHAM-QFIPXVFZSA-N -1 1 502.573 6.286 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441742 553042250 /nfs/dbraw/zinc/04/22/50/553042250.db2.gz NWKJHYWXSBMUFL-XMMPIXPASA-N -1 1 575.440 6.987 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441791 553042319 /nfs/dbraw/zinc/04/23/19/553042319.db2.gz VHMGFMOLLAKZNJ-PMERELPUSA-N -1 1 631.735 8.078 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441782 553042490 /nfs/dbraw/zinc/04/24/90/553042490.db2.gz PIAVIMXJHAWGDP-PMERELPUSA-N -1 1 631.779 8.810 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441782 553042492 /nfs/dbraw/zinc/04/24/92/553042492.db2.gz PIAVIMXJHAWGDP-PMERELPUSA-N -1 1 631.779 8.810 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000008837623 553164397 /nfs/dbraw/zinc/16/43/97/553164397.db2.gz QKHXDBCNFADIJH-HSZRJFAPSA-N -1 1 504.539 5.626 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000008837909 553164825 /nfs/dbraw/zinc/16/48/25/553164825.db2.gz VAXIMGQSQCMREK-DEOSSOPVSA-N -1 1 516.575 5.413 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)s1 ZINC000008845802 553166116 /nfs/dbraw/zinc/16/61/16/553166116.db2.gz QVLMGPHPSVYOLO-VOIUYBSRSA-N -1 1 519.623 5.378 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)s1 ZINC000008845802 553166118 /nfs/dbraw/zinc/16/61/18/553166118.db2.gz QVLMGPHPSVYOLO-VOIUYBSRSA-N -1 1 519.623 5.378 50 30 KKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(F)c2)cc1Br ZINC000008846447 553166366 /nfs/dbraw/zinc/16/63/66/553166366.db2.gz FLCRMGKKLKMMAE-NRFANRHFSA-N -1 1 500.751 6.333 50 30 KKEAMM Cc1cccc(Nc2nc(=NN=Cc3cc(Br)cc(Br)c3[O-])nc(N3CCC(C)CC3)[nH]2)c1C ZINC000008872986 553174631 /nfs/dbraw/zinc/17/46/31/553174631.db2.gz FYSOOKFDAWPMSG-UVHMKAGCSA-N -1 1 589.336 6.145 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000008894024 553177175 /nfs/dbraw/zinc/17/71/75/553177175.db2.gz SREDVBSOOZCYOI-QHCPKHFHSA-N -1 1 515.547 5.613 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008894384 553177574 /nfs/dbraw/zinc/17/75/74/553177574.db2.gz FZQOEOXYEJCOAA-QFIPXVFZSA-N -1 1 503.511 5.689 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894666 553177759 /nfs/dbraw/zinc/17/77/59/553177759.db2.gz INFNDXBSDXKKCV-XMMPIXPASA-N -1 1 500.576 6.108 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894666 553177761 /nfs/dbraw/zinc/17/77/61/553177761.db2.gz INFNDXBSDXKKCV-XMMPIXPASA-N -1 1 500.576 6.108 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000008904393 553183438 /nfs/dbraw/zinc/18/34/38/553183438.db2.gz IWDIHSWTLBPWGB-JOCHJYFZSA-N -1 1 520.538 5.244 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1 ZINC000008919180 553188803 /nfs/dbraw/zinc/18/88/03/553188803.db2.gz PJASOWRYNXOEHB-NRFANRHFSA-N -1 1 506.580 5.200 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000008934748 553193269 /nfs/dbraw/zinc/19/32/69/553193269.db2.gz LOZVBPMQPZIROO-QHCPKHFHSA-N -1 1 515.547 5.613 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000008973650 553195194 /nfs/dbraw/zinc/19/51/94/553195194.db2.gz AAMZJVAGQQDSGI-XMMPIXPASA-N -1 1 502.567 6.316 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000008980582 553196090 /nfs/dbraw/zinc/19/60/90/553196090.db2.gz CPDHYVVDKJGWPZ-DEOSSOPVSA-N -1 1 518.566 5.852 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008996645 553197436 /nfs/dbraw/zinc/19/74/36/553197436.db2.gz UVKBCMFSKSCPOC-QFIPXVFZSA-N -1 1 502.548 5.330 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008996972 553197438 /nfs/dbraw/zinc/19/74/38/553197438.db2.gz SSNZNDDPCGYRJJ-XMMPIXPASA-N -1 1 514.603 5.967 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009008199 553198464 /nfs/dbraw/zinc/19/84/64/553198464.db2.gz GHSHMRXUEMOWLA-RUZDIDTESA-N -1 1 514.603 6.220 50 30 KKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009008546 553199021 /nfs/dbraw/zinc/19/90/21/553199021.db2.gz ASPBOUMPSRNIHW-QFIPXVFZSA-N -1 1 518.591 5.284 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009008546 553199024 /nfs/dbraw/zinc/19/90/24/553199024.db2.gz ASPBOUMPSRNIHW-QFIPXVFZSA-N -1 1 518.591 5.284 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000009043881 553203170 /nfs/dbraw/zinc/20/31/70/553203170.db2.gz KUBMEDBKZZHLLB-QFIPXVFZSA-N -1 1 506.605 5.775 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000009045722 553203603 /nfs/dbraw/zinc/20/36/03/553203603.db2.gz ZEYUGEDCKDKTHF-QHCPKHFHSA-N -1 1 520.538 5.244 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009069234 553206767 /nfs/dbraw/zinc/20/67/67/553206767.db2.gz GQAVLZHHPKCLJN-DEOSSOPVSA-N -1 1 519.022 6.865 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009070701 553207088 /nfs/dbraw/zinc/20/70/88/553207088.db2.gz CSGZZEJNKNOSQS-QHCPKHFHSA-N -1 1 504.995 6.440 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009070701 553207090 /nfs/dbraw/zinc/20/70/90/553207090.db2.gz CSGZZEJNKNOSQS-QHCPKHFHSA-N -1 1 504.995 6.440 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009110413 553210002 /nfs/dbraw/zinc/21/00/02/553210002.db2.gz KVGYXAFVDDITRO-HXUWFJFHSA-N -1 1 502.286 6.251 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000009124417 553212832 /nfs/dbraw/zinc/21/28/32/553212832.db2.gz BNKTYIZDSIBFQE-MCMMXHMISA-N -1 1 504.589 5.473 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009185007 553217083 /nfs/dbraw/zinc/21/70/83/553217083.db2.gz UCBQZXLOQCZLJD-QFIPXVFZSA-N -1 1 506.605 5.938 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009186570 553217592 /nfs/dbraw/zinc/21/75/92/553217592.db2.gz ZCTZBSPRSYLQRG-DEOSSOPVSA-N -1 1 500.551 6.092 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009186828 553217803 /nfs/dbraw/zinc/21/78/03/553217803.db2.gz NAVZWLUXJDWMFL-XMMPIXPASA-N -1 1 519.022 6.748 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000009235226 553225155 /nfs/dbraw/zinc/22/51/55/553225155.db2.gz XWZSWQSVKYGXDN-XMMPIXPASA-N -1 1 500.576 5.795 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000009236344 553225621 /nfs/dbraw/zinc/22/56/21/553225621.db2.gz UNCBWENEEHWTPI-HSZRJFAPSA-N -1 1 504.539 5.626 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009242953 553226579 /nfs/dbraw/zinc/22/65/79/553226579.db2.gz HQQIDDBYXZZMJZ-RUZDIDTESA-N -1 1 506.555 5.352 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)c1 ZINC000009243629 553226868 /nfs/dbraw/zinc/22/68/68/553226868.db2.gz BANQQEQCBDLBOW-VWLOTQADSA-N -1 1 512.587 5.822 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)c1 ZINC000009243629 553226870 /nfs/dbraw/zinc/22/68/70/553226870.db2.gz BANQQEQCBDLBOW-VWLOTQADSA-N -1 1 512.587 5.822 50 30 KKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000009271251 553230739 /nfs/dbraw/zinc/23/07/39/553230739.db2.gz CZIASHKWKAHJJA-QHCPKHFHSA-N -1 1 504.995 6.358 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000009271659 553231221 /nfs/dbraw/zinc/23/12/21/553231221.db2.gz NKVABEBMAXXKPF-QFIPXVFZSA-N -1 1 520.563 5.315 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000009271659 553231224 /nfs/dbraw/zinc/23/12/24/553231224.db2.gz NKVABEBMAXXKPF-QFIPXVFZSA-N -1 1 520.563 5.315 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000009271660 553231298 /nfs/dbraw/zinc/23/12/98/553231298.db2.gz PQPKVAODPNREDN-QHCPKHFHSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000009271660 553231300 /nfs/dbraw/zinc/23/13/00/553231300.db2.gz PQPKVAODPNREDN-QHCPKHFHSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O ZINC000009272378 553231809 /nfs/dbraw/zinc/23/18/09/553231809.db2.gz KFTIUQQUROWIGW-OAQYLSRUSA-N -1 1 503.860 5.856 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009273783 553232250 /nfs/dbraw/zinc/23/22/50/553232250.db2.gz VXHUSKUJVFZHNI-HSZRJFAPSA-N -1 1 520.563 5.397 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000009275380 553232818 /nfs/dbraw/zinc/23/28/18/553232818.db2.gz UAAOEMMZVQLXNB-JOCHJYFZSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000009275380 553232820 /nfs/dbraw/zinc/23/28/20/553232820.db2.gz UAAOEMMZVQLXNB-JOCHJYFZSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000009280159 553232845 /nfs/dbraw/zinc/23/28/45/553232845.db2.gz GSKVOQPNQDWYLT-IBGZPJMESA-N -1 1 511.353 5.443 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)o1 ZINC000009280257 553233057 /nfs/dbraw/zinc/23/30/57/553233057.db2.gz FDOBFKVFDRBCGI-IBGZPJMESA-N -1 1 513.344 5.882 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009280175 553233095 /nfs/dbraw/zinc/23/30/95/553233095.db2.gz QZWWASUOQJYBOH-XMMPIXPASA-N -1 1 518.566 6.016 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009290924 553234524 /nfs/dbraw/zinc/23/45/24/553234524.db2.gz QHENEMAXFPOTIF-CPJLOUKISA-N -1 1 512.587 5.720 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccnc3)ccc2O1 ZINC000009291561 553234665 /nfs/dbraw/zinc/23/46/65/553234665.db2.gz KKGLGKATUPPIHV-MCMMXHMISA-N -1 1 503.967 5.451 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000009308698 553237467 /nfs/dbraw/zinc/23/74/67/553237467.db2.gz OADZQRTUGGJEIW-IZHWHUGBSA-N -1 1 513.575 5.196 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000009308698 553237470 /nfs/dbraw/zinc/23/74/70/553237470.db2.gz OADZQRTUGGJEIW-IZHWHUGBSA-N -1 1 513.575 5.196 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000009329429 553242441 /nfs/dbraw/zinc/24/24/41/553242441.db2.gz PRLIEDLPRWOWBR-QKVFXAPYSA-N -1 1 508.983 5.414 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009334005 553243142 /nfs/dbraw/zinc/24/31/42/553243142.db2.gz DEGPPSAZUPETCF-QHCPKHFHSA-N -1 1 518.660 6.837 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009339624 553243664 /nfs/dbraw/zinc/24/36/64/553243664.db2.gz ZWEJXLHRCSCSDE-HSZRJFAPSA-N -1 1 506.530 6.146 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009339996 553243669 /nfs/dbraw/zinc/24/36/69/553243669.db2.gz NYALOXHUKYPVFO-RUZDIDTESA-N -1 1 514.603 6.103 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccncc2)o1 ZINC000009356994 553246706 /nfs/dbraw/zinc/24/67/06/553246706.db2.gz DGNFYOKPGWRCKU-IBGZPJMESA-N -1 1 508.556 5.049 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000009357998 553247204 /nfs/dbraw/zinc/24/72/04/553247204.db2.gz VZUNBCUNPLCRAE-QGZVFWFLSA-N -1 1 503.363 5.328 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000009359345 553247924 /nfs/dbraw/zinc/24/79/24/553247924.db2.gz VBNFHPOCQLGNLN-RUZDIDTESA-N -1 1 514.603 6.049 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000009360121 553248256 /nfs/dbraw/zinc/24/82/56/553248256.db2.gz LXKXCRQYJLHYDN-CPJLOUKISA-N -1 1 514.578 6.159 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009360412 553248411 /nfs/dbraw/zinc/24/84/11/553248411.db2.gz ADQQJGZKEYCQAD-PUAOIOHZSA-N -1 1 512.587 5.720 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000009360285 553248437 /nfs/dbraw/zinc/24/84/37/553248437.db2.gz RCAJUSOUPHEVPI-HSZRJFAPSA-N -1 1 520.632 6.110 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000009360285 553248439 /nfs/dbraw/zinc/24/84/39/553248439.db2.gz RCAJUSOUPHEVPI-HSZRJFAPSA-N -1 1 520.632 6.110 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009375158 553251071 /nfs/dbraw/zinc/25/10/71/553251071.db2.gz ZUQUDOKARGJMAK-XMMPIXPASA-N -1 1 510.974 5.997 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000009380078 553251716 /nfs/dbraw/zinc/25/17/16/553251716.db2.gz HBNVSWCYQDUNQB-YKGWIAGDSA-N -1 1 524.573 5.239 50 30 KKEAMM COc1ccccc1[C@H]1C(=C([O-])c2ccc(Br)cc2)C(=O)C(=O)N1c1cc(C(C)(C)C)on1 ZINC000009380479 553251796 /nfs/dbraw/zinc/25/17/96/553251796.db2.gz VGEJCTJEBVWTLM-NRFANRHFSA-N -1 1 511.372 5.526 50 30 KKEAMM COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1c1cc(C(C)(C)C)on1 ZINC000009380479 553251798 /nfs/dbraw/zinc/25/17/98/553251798.db2.gz VGEJCTJEBVWTLM-NRFANRHFSA-N -1 1 511.372 5.526 50 30 KKEAMM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000009380610 553251909 /nfs/dbraw/zinc/25/19/09/553251909.db2.gz AZKKVMQQVUVASK-FQEVSTJZSA-N -1 1 513.185 5.995 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009380610 553251910 /nfs/dbraw/zinc/25/19/10/553251910.db2.gz AZKKVMQQVUVASK-FQEVSTJZSA-N -1 1 513.185 5.995 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccs3)ccc2O1 ZINC000009403676 553255388 /nfs/dbraw/zinc/25/53/88/553255388.db2.gz LIGUEBHFSASPQI-LAJNKCICSA-N -1 1 509.008 6.118 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009424562 553258673 /nfs/dbraw/zinc/25/86/73/553258673.db2.gz YQXCDQGBYUELID-FQEVSTJZSA-N -1 1 502.832 6.050 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000009451746 553265944 /nfs/dbraw/zinc/26/59/44/553265944.db2.gz GFQCIVYTSJTUPH-RUZDIDTESA-N -1 1 500.507 5.255 50 30 KKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009460754 553266882 /nfs/dbraw/zinc/26/68/82/553266882.db2.gz TUEBYJCUQLHTNU-QFIPXVFZSA-N -1 1 510.771 6.088 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009460941 553267209 /nfs/dbraw/zinc/26/72/09/553267209.db2.gz YIMUDZTWIAUXQA-HXUWFJFHSA-N -1 1 513.384 5.305 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000009461160 553267413 /nfs/dbraw/zinc/26/74/13/553267413.db2.gz VFCNYVJGKCUCOH-DEOSSOPVSA-N -1 1 516.575 5.501 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000009510945 553276301 /nfs/dbraw/zinc/27/63/01/553276301.db2.gz NFCXIDHYKKJBGH-BSEYFRJRSA-N -1 1 514.559 5.117 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c(OC)c1 ZINC000009600898 553286201 /nfs/dbraw/zinc/28/62/01/553286201.db2.gz NUKCMKGVBWNHIV-JOCHJYFZSA-N -1 1 506.967 5.750 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)c(OC)c1 ZINC000009600898 553286203 /nfs/dbraw/zinc/28/62/03/553286203.db2.gz NUKCMKGVBWNHIV-JOCHJYFZSA-N -1 1 506.967 5.750 50 30 KKEAMM COc1ccc(OC)c([C@H]2c3c(=O)[n-]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009608836 553287723 /nfs/dbraw/zinc/28/77/23/553287723.db2.gz UZDXLGXFIMXVNQ-HSZRJFAPSA-N -1 1 517.651 5.588 50 30 KKEAMM O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000011026282 553338824 /nfs/dbraw/zinc/33/88/24/553338824.db2.gz FVVKZEGGHALWRI-SANMLTNESA-N -1 1 539.632 6.757 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000013549060 553469972 /nfs/dbraw/zinc/46/99/72/553469972.db2.gz LUNUNBZLAKMUTE-DEOSSOPVSA-N -1 1 500.576 5.659 50 30 KKEAMM CCc1ccc(/N=C2\NC(=O)/C(=C\c3cc(OC)c([O-])c(Br)c3Br)S2)cc1 ZINC000013880913 553493992 /nfs/dbraw/zinc/49/39/92/553493992.db2.gz HEXITVZEETWLLU-NTEUORMPSA-N -1 1 512.223 5.380 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3nc4ccccc4s3)[C@@H]2c2ccccc2)nc1C ZINC000016750584 553580691 /nfs/dbraw/zinc/58/06/91/553580691.db2.gz SRVGYQRMKLKEAP-IBGZPJMESA-N -1 1 517.588 5.187 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000016805433 553582824 /nfs/dbraw/zinc/58/28/24/553582824.db2.gz ISOKLQWNVCJHKE-NRFANRHFSA-N -1 1 508.571 5.421 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccnc3)s2)cc1 ZINC000016806221 553583175 /nfs/dbraw/zinc/58/31/75/553583175.db2.gz SYTXNDSPKONHII-QFIPXVFZSA-N -1 1 514.632 5.625 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c1[C@@H]2c1cccc(F)c1 ZINC000017242310 553590922 /nfs/dbraw/zinc/59/09/22/553590922.db2.gz FKKARROXABPYDX-HXUWFJFHSA-N -1 1 506.559 5.722 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000017242480 553591203 /nfs/dbraw/zinc/59/12/03/553591203.db2.gz SHKUVCSKQSGBSY-FQEVSTJZSA-N -1 1 506.559 5.722 50 30 KKEAMM CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)cc(Br)c1[O-] ZINC000019201987 553612831 /nfs/dbraw/zinc/61/28/31/553612831.db2.gz ZVQQIDDRYJSCMJ-KRWDZBQOSA-N -1 1 513.226 5.084 50 30 KKEAMM N#Cc1c(N)nc(SCC(=O)c2ccc([O-])c(O)c2)c(C#N)c1-c1ccc(OCc2ccccc2)cc1 ZINC000019848307 553623614 /nfs/dbraw/zinc/62/36/14/553623614.db2.gz PBUVVYDDASTWSP-UHFFFAOYSA-N -1 1 508.559 5.039 50 30 KKEAMM CCOC(=O)c1ccc(O/C(=C/N(C)Cc2ccccc2)C(=O)c2ccc([O-])c(C[N@@H+](C)Cc3ccccc3)c2[O-])cc1 ZINC000071382578 553635277 /nfs/dbraw/zinc/63/52/77/553635277.db2.gz XIHVCWFQYXZKHJ-FEZSWGLMSA-N -1 1 580.681 6.142 50 30 KKEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000020064399 553675000 /nfs/dbraw/zinc/67/50/00/553675000.db2.gz WXEXHCPMCRXCNI-FQEVSTJZSA-N -1 1 506.780 5.326 50 30 KKEAMM Cc1ccc2nc(-c3cc(N=Cc4cc(Cl)cc(I)c4[O-])ccc3O)[nH]c2c1 ZINC000020075300 553676325 /nfs/dbraw/zinc/67/63/25/553676325.db2.gz HABYDYAEHJLDIE-YSURURNPSA-N -1 1 503.727 5.958 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000020101169 553687168 /nfs/dbraw/zinc/68/71/68/553687168.db2.gz DTAIJNJOQYLBEA-QHCPKHFHSA-N -1 1 514.416 5.796 50 30 KKEAMM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1OC ZINC000096115502 553726172 /nfs/dbraw/zinc/72/61/72/553726172.db2.gz LHTCPEJCLLVXFB-SFHVURJKSA-N -1 1 500.503 5.276 50 30 biogenic KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000097951747 553811114 /nfs/dbraw/zinc/81/11/14/553811114.db2.gz HNKJOTIKEFESTF-VWLOTQADSA-N -1 1 542.613 5.881 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097951767 553811195 /nfs/dbraw/zinc/81/11/95/553811195.db2.gz FNTXSCXTKVOGOV-HSZRJFAPSA-N -1 1 533.005 6.136 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097951767 553811198 /nfs/dbraw/zinc/81/11/98/553811198.db2.gz FNTXSCXTKVOGOV-HSZRJFAPSA-N -1 1 533.005 6.136 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097951801 553811415 /nfs/dbraw/zinc/81/14/15/553811415.db2.gz JJVBZKLWXFZYSF-OAQYLSRUSA-N -1 1 521.938 5.649 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097952170 553813492 /nfs/dbraw/zinc/81/34/92/553813492.db2.gz MYLQSHIWHGURCM-QFIPXVFZSA-N -1 1 519.966 6.203 50 30 KKEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)c1 ZINC000097952178 553813833 /nfs/dbraw/zinc/81/38/33/553813833.db2.gz SJVJCVCNHGMNNW-QFIPXVFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)c1 ZINC000097952178 553813835 /nfs/dbraw/zinc/81/38/35/553813835.db2.gz SJVJCVCNHGMNNW-QFIPXVFZSA-N -1 1 535.419 6.159 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000097952270 553814297 /nfs/dbraw/zinc/81/42/97/553814297.db2.gz MDSGGGUCBMILEJ-DEOSSOPVSA-N -1 1 535.021 6.312 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000097952270 553814301 /nfs/dbraw/zinc/81/43/01/553814301.db2.gz MDSGGGUCBMILEJ-DEOSSOPVSA-N -1 1 535.021 6.312 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097952313 553814834 /nfs/dbraw/zinc/81/48/34/553814834.db2.gz RRLUUEASXKDGDH-AREMUKBSSA-N -1 1 526.614 6.269 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097952442 553815677 /nfs/dbraw/zinc/81/56/77/553815677.db2.gz IKQHRQKCDCTUIZ-QHCPKHFHSA-N -1 1 531.546 5.313 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952464 553816101 /nfs/dbraw/zinc/81/61/01/553816101.db2.gz FOCSSDSOWJCDME-FQEVSTJZSA-N -1 1 525.449 6.466 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000097954908 553826466 /nfs/dbraw/zinc/82/64/66/553826466.db2.gz QSNIEWFIDBHETG-QHCPKHFHSA-N -1 1 534.634 5.817 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955029 553827413 /nfs/dbraw/zinc/82/74/13/553827413.db2.gz BFIQYJCVKFNWGX-ADSBAMQRSA-N -1 1 616.711 7.509 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955029 553827416 /nfs/dbraw/zinc/82/74/16/553827416.db2.gz BFIQYJCVKFNWGX-ADSBAMQRSA-N -1 1 616.711 7.509 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097955013 553827521 /nfs/dbraw/zinc/82/75/21/553827521.db2.gz JPMUENKNBUIAFD-SHACYNPGSA-N -1 1 543.557 5.319 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097955071 553828288 /nfs/dbraw/zinc/82/82/88/553828288.db2.gz YSFDQBBREMBCPF-RZFZLAGVSA-N -1 1 623.481 5.888 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097955107 553828819 /nfs/dbraw/zinc/82/88/19/553828819.db2.gz STGDNZMIQFUGIG-HHHXNRCGSA-N -1 1 636.723 6.006 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097955134 553829084 /nfs/dbraw/zinc/82/90/84/553829084.db2.gz MVMDIRUTSOXQNM-LDLUVENISA-N -1 1 602.684 6.975 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097955134 553829087 /nfs/dbraw/zinc/82/90/87/553829087.db2.gz MVMDIRUTSOXQNM-LDLUVENISA-N -1 1 602.684 6.975 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955255 553830352 /nfs/dbraw/zinc/83/03/52/553830352.db2.gz FNMAQXFMRKZTMM-SGANQWHYSA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955255 553830355 /nfs/dbraw/zinc/83/03/55/553830355.db2.gz FNMAQXFMRKZTMM-SGANQWHYSA-N -1 1 547.032 6.455 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955270 553830495 /nfs/dbraw/zinc/83/04/95/553830495.db2.gz XFSIUCDLKCCTKI-YMGMXPECSA-N -1 1 586.641 6.505 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955270 553830499 /nfs/dbraw/zinc/83/04/99/553830499.db2.gz XFSIUCDLKCCTKI-YMGMXPECSA-N -1 1 586.641 6.505 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097955580 553831655 /nfs/dbraw/zinc/83/16/55/553831655.db2.gz HDNDGWQOVSGFGA-JBEBIEQOSA-N -1 1 544.560 5.328 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097955574 553831728 /nfs/dbraw/zinc/83/17/28/553831728.db2.gz BCXKJKDPMIIDIU-SGANQWHYSA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097955622 553832001 /nfs/dbraw/zinc/83/20/01/553832001.db2.gz GTZKUPSZKACDOV-NDEPHWFRSA-N -1 1 602.665 6.047 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097955622 553832002 /nfs/dbraw/zinc/83/20/02/553832002.db2.gz GTZKUPSZKACDOV-NDEPHWFRSA-N -1 1 602.665 6.047 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955620 553832089 /nfs/dbraw/zinc/83/20/89/553832089.db2.gz WMGDDBWGNABGNP-BZQUYTCOSA-N -1 1 547.032 6.455 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097955683 553832934 /nfs/dbraw/zinc/83/29/34/553832934.db2.gz YTJKMZDZFJTGFP-HHHXNRCGSA-N -1 1 607.084 6.691 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097955725 553833156 /nfs/dbraw/zinc/83/31/56/553833156.db2.gz PNNHZIQHDRPYHG-ZAMGYDSWSA-N -1 1 520.969 6.195 50 30 KKEAMM COc1ccc(-c2cn3c(/C([O-])=N/S(=O)(=O)c4ccc(C)cc4)c(-c4ccccc4)c4c3n2CCCC4)cc1 ZINC000097955745 553833563 /nfs/dbraw/zinc/83/35/63/553833563.db2.gz HJTMOLUIZOIMHY-UHFFFAOYSA-N -1 1 539.657 6.422 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955769 553833976 /nfs/dbraw/zinc/83/39/76/553833976.db2.gz DBORTZYUYVMKJJ-YHAMSUFESA-N -1 1 526.614 5.974 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000097955842 553834656 /nfs/dbraw/zinc/83/46/56/553834656.db2.gz LLTBIZLPLMRARC-ODCWNRFASA-N -1 1 528.586 5.507 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955851 553834733 /nfs/dbraw/zinc/83/47/33/553834733.db2.gz BSHIIZCSTUITQC-BZQUYTCOSA-N -1 1 528.586 5.420 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097956229 553837006 /nfs/dbraw/zinc/83/70/06/553837006.db2.gz LQCARSUPQNCQIE-NPMABZOXSA-N -1 1 531.521 5.450 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097956686 553840727 /nfs/dbraw/zinc/84/07/27/553840727.db2.gz SRKJITHEVDWILF-SHACYNPGSA-N -1 1 543.557 5.319 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097956827 553842161 /nfs/dbraw/zinc/84/21/61/553842161.db2.gz NPIAVXWGVDHOGY-DEOSSOPVSA-N -1 1 560.672 6.192 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956838 553842173 /nfs/dbraw/zinc/84/21/73/553842173.db2.gz ZGSFMKKPYNXSGJ-AREMUKBSSA-N -1 1 584.650 6.520 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097956826 553842346 /nfs/dbraw/zinc/84/23/46/553842346.db2.gz NPIAVXWGVDHOGY-XMMPIXPASA-N -1 1 560.672 6.192 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OCC)nc1C ZINC000097956842 553842521 /nfs/dbraw/zinc/84/25/21/553842521.db2.gz GATGNPMXDZKNAA-HSZRJFAPSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2OCC)nc1C ZINC000097956842 553842524 /nfs/dbraw/zinc/84/25/24/553842524.db2.gz GATGNPMXDZKNAA-HSZRJFAPSA-N -1 1 548.617 5.293 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097956866 553842533 /nfs/dbraw/zinc/84/25/33/553842533.db2.gz LMUUCLHAOZOOHK-MHZLTWQESA-N -1 1 582.678 6.471 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OCC)nc1C ZINC000097956851 553842666 /nfs/dbraw/zinc/84/26/66/553842666.db2.gz RRFYTZYQLGAWPN-QFIPXVFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OCC)nc1C ZINC000097956851 553842667 /nfs/dbraw/zinc/84/26/67/553842667.db2.gz RRFYTZYQLGAWPN-QFIPXVFZSA-N -1 1 536.606 5.127 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OCC)nc1C ZINC000097956843 553842689 /nfs/dbraw/zinc/84/26/89/553842689.db2.gz GATGNPMXDZKNAA-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OCC)nc1C ZINC000097956843 553842691 /nfs/dbraw/zinc/84/26/91/553842691.db2.gz GATGNPMXDZKNAA-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956872 553843025 /nfs/dbraw/zinc/84/30/25/553843025.db2.gz YCKFQEXNUSIDSH-NRFANRHFSA-N -1 1 532.599 5.875 50 30 KKEAMM Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc(Br)cc(I)c3[O-])S2)c1 ZINC000097960142 553868620 /nfs/dbraw/zinc/86/86/20/553868620.db2.gz DVCSOXBLTHDZOS-CHHVJCJISA-N -1 1 529.197 5.268 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097966984 553912632 /nfs/dbraw/zinc/91/26/32/553912632.db2.gz GULCBQLIWBGTFN-NDEPHWFRSA-N -1 1 628.703 6.316 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000097967003 553912740 /nfs/dbraw/zinc/91/27/40/553912740.db2.gz RFLZQIAGGXAJIO-MHZLTWQESA-N -1 1 614.676 6.013 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097967016 553913177 /nfs/dbraw/zinc/91/31/77/553913177.db2.gz QYEZRPNDNIECDH-OAQYLSRUSA-N -1 1 555.837 6.504 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000097967194 553914719 /nfs/dbraw/zinc/91/47/19/553914719.db2.gz AIOOEXAQUWPODR-HHHXNRCGSA-N -1 1 598.652 6.604 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967238 553915745 /nfs/dbraw/zinc/91/57/45/553915745.db2.gz ZEWSBWXRXLWYKX-GSTQUKTASA-N -1 1 648.737 7.389 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967238 553915746 /nfs/dbraw/zinc/91/57/46/553915746.db2.gz ZEWSBWXRXLWYKX-GSTQUKTASA-N -1 1 648.737 7.389 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000097967247 553915835 /nfs/dbraw/zinc/91/58/35/553915835.db2.gz KJUYEXJOIBAZRY-SGANQWHYSA-N -1 1 565.478 7.326 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000097967247 553915839 /nfs/dbraw/zinc/91/58/39/553915839.db2.gz KJUYEXJOIBAZRY-SGANQWHYSA-N -1 1 565.478 7.326 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097967271 553916385 /nfs/dbraw/zinc/91/63/85/553916385.db2.gz GHOPCFOADZDUFM-WENCNXQZSA-N -1 1 598.721 7.207 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967323 553916722 /nfs/dbraw/zinc/91/67/22/553916722.db2.gz OKHBFMJEIYKJCC-SANMLTNESA-N -1 1 558.612 5.648 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967323 553916723 /nfs/dbraw/zinc/91/67/23/553916723.db2.gz OKHBFMJEIYKJCC-SANMLTNESA-N -1 1 558.612 5.648 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967306 553916763 /nfs/dbraw/zinc/91/67/63/553916763.db2.gz YTDJRYOERMVAFZ-ODCWNRFASA-N -1 1 556.596 5.198 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967306 553916766 /nfs/dbraw/zinc/91/67/66/553916766.db2.gz YTDJRYOERMVAFZ-ODCWNRFASA-N -1 1 556.596 5.198 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967317 553916777 /nfs/dbraw/zinc/91/67/77/553916777.db2.gz CHMVSBHKVCKRGA-UKPGIYTDSA-N -1 1 612.748 7.597 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097967319 553916825 /nfs/dbraw/zinc/91/68/25/553916825.db2.gz XPRNTVKAFJGEPL-SSEXGKCCSA-N -1 1 614.720 6.901 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097967420 553918116 /nfs/dbraw/zinc/91/81/16/553918116.db2.gz HIXXGNBIZKZUEG-AREMUKBSSA-N -1 1 604.681 5.917 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097967433 553918561 /nfs/dbraw/zinc/91/85/61/553918561.db2.gz MZRQUZTYOOVBHV-HWRSSNJWSA-N -1 1 637.508 6.278 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967478 553918889 /nfs/dbraw/zinc/91/88/89/553918889.db2.gz DRKGSZLCPZJMID-IZHWHUGBSA-N -1 1 561.457 6.474 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097967513 553919505 /nfs/dbraw/zinc/91/95/05/553919505.db2.gz ZERQKSOSMFROFS-JMQGSBJISA-N -1 1 570.667 6.590 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000097967525 553919882 /nfs/dbraw/zinc/91/98/82/553919882.db2.gz SQCGHJQVHXKBIN-SANMLTNESA-N -1 1 586.641 6.438 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967566 553920189 /nfs/dbraw/zinc/92/01/89/553920189.db2.gz GYKHENBMFVNPET-UKPGIYTDSA-N -1 1 612.748 7.679 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097967572 553920200 /nfs/dbraw/zinc/92/02/00/553920200.db2.gz KYMXAYAMQGUYGC-MUUNZHRXSA-N -1 1 648.734 6.172 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097967586 553920554 /nfs/dbraw/zinc/92/05/54/553920554.db2.gz JLXAYMFFMKXVDE-GKVSMKOHSA-N -1 1 576.671 5.913 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097967586 553920556 /nfs/dbraw/zinc/92/05/56/553920556.db2.gz JLXAYMFFMKXVDE-GKVSMKOHSA-N -1 1 576.671 5.913 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097967595 553920598 /nfs/dbraw/zinc/92/05/98/553920598.db2.gz BYNRMFCXOGZJQI-SANMLTNESA-N -1 1 620.680 5.536 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097967615 553921168 /nfs/dbraw/zinc/92/11/68/553921168.db2.gz MSGYGRNGFPCIAK-LAJNKCICSA-N -1 1 629.485 5.211 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000097967685 553921903 /nfs/dbraw/zinc/92/19/03/553921903.db2.gz WSXWKYRSCBLMHF-UDNBHOFDSA-N -1 1 685.868 8.069 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967721 553922158 /nfs/dbraw/zinc/92/21/58/553922158.db2.gz AKPYIBNLIPDZIL-KEEVHDRGSA-N -1 1 598.721 7.289 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967725 553922309 /nfs/dbraw/zinc/92/23/09/553922309.db2.gz SEAMEGNRXCRTEQ-JCOAXYOVSA-N -1 1 682.223 8.169 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967715 553922316 /nfs/dbraw/zinc/92/23/16/553922316.db2.gz IVAWWMRPLKQKHB-SOKVYYICSA-N -1 1 569.639 5.540 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097967706 553922324 /nfs/dbraw/zinc/92/23/24/553922324.db2.gz PRBVFMHGQPRHFO-MHZLTWQESA-N -1 1 614.676 5.926 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097967766 553922883 /nfs/dbraw/zinc/92/28/83/553922883.db2.gz QWTKHTQEXANXAI-SONOPUAISA-N -1 1 640.714 6.322 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097967766 553922886 /nfs/dbraw/zinc/92/28/86/553922886.db2.gz QWTKHTQEXANXAI-SONOPUAISA-N -1 1 640.714 6.322 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097967827 553923603 /nfs/dbraw/zinc/92/36/03/553923603.db2.gz IDQIMHRJIATBES-MYYSRTQBSA-N -1 1 577.634 6.215 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097967820 553923658 /nfs/dbraw/zinc/92/36/58/553923658.db2.gz FWQHMKPIXDIPLQ-QHCPKHFHSA-N -1 1 646.961 7.345 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967803 553923674 /nfs/dbraw/zinc/92/36/74/553923674.db2.gz XKXGISCDPXUTEV-WEZXKFLESA-N -1 1 634.710 6.999 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967803 553923676 /nfs/dbraw/zinc/92/36/76/553923676.db2.gz XKXGISCDPXUTEV-WEZXKFLESA-N -1 1 634.710 6.999 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967951 553925260 /nfs/dbraw/zinc/92/52/60/553925260.db2.gz NOQBVTPNXLWNOH-ADXZGYQBSA-N -1 1 678.232 7.778 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967952 553925519 /nfs/dbraw/zinc/92/55/19/553925519.db2.gz NOQBVTPNXLWNOH-SLQAJWMNSA-N -1 1 678.232 7.778 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967954 553925781 /nfs/dbraw/zinc/92/57/81/553925781.db2.gz NOQBVTPNXLWNOH-XBBWARJSSA-N -1 1 678.232 7.778 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968032 553926556 /nfs/dbraw/zinc/92/65/56/553926556.db2.gz GBTDCAFMQJHMCW-SANMLTNESA-N -1 1 601.706 6.092 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000097968027 553926606 /nfs/dbraw/zinc/92/66/06/553926606.db2.gz AOFGDZORZSMUFP-WJOKGBTCSA-N -1 1 687.840 7.517 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968104 553928011 /nfs/dbraw/zinc/92/80/11/553928011.db2.gz WAJXKSFJEWWWOT-NDEPHWFRSA-N -1 1 664.205 7.463 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000097968138 553928491 /nfs/dbraw/zinc/92/84/91/553928491.db2.gz MYZDVXFCBJTFIY-MYYSRTQBSA-N -1 1 592.098 6.296 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097968164 553928861 /nfs/dbraw/zinc/92/88/61/553928861.db2.gz WEBPSHQTYZVXAD-KWMCUTETSA-N -1 1 572.658 7.111 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097968164 553928865 /nfs/dbraw/zinc/92/88/65/553928865.db2.gz WEBPSHQTYZVXAD-KWMCUTETSA-N -1 1 572.658 7.111 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968206 553929062 /nfs/dbraw/zinc/92/90/62/553929062.db2.gz XQNQBDHOGDXKDD-GDLZYMKVSA-N -1 1 659.786 6.962 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968228 553929204 /nfs/dbraw/zinc/92/92/04/553929204.db2.gz SKHLCEVCIHEOGY-XGCWNURASA-N -1 1 668.624 8.032 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097968236 553929630 /nfs/dbraw/zinc/92/96/30/553929630.db2.gz NHTVTTIVFVBWIL-MYYSRTQBSA-N -1 1 594.089 6.729 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097968257 553929642 /nfs/dbraw/zinc/92/96/42/553929642.db2.gz XPGYFAPVCSPEMB-PMERELPUSA-N -1 1 684.195 7.617 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968279 553930033 /nfs/dbraw/zinc/93/00/33/553930033.db2.gz HSYXARBVPZTKGI-RUZDIDTESA-N -1 1 605.669 5.922 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097968321 553930348 /nfs/dbraw/zinc/93/03/48/553930348.db2.gz STUACRWXCGLULW-HMILPKGGSA-N -1 1 634.751 6.702 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097968310 553930391 /nfs/dbraw/zinc/93/03/91/553930391.db2.gz HNFBGTWVXXVGME-HHHXNRCGSA-N -1 1 582.634 5.787 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968338 553930684 /nfs/dbraw/zinc/93/06/84/553930684.db2.gz SNGGSHYCESCDAU-LFPIHBKWSA-N -1 1 644.989 7.897 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968347 553930808 /nfs/dbraw/zinc/93/08/08/553930808.db2.gz QMZDGQSIGVMSPD-XGCWNURASA-N -1 1 554.624 5.976 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968346 553930819 /nfs/dbraw/zinc/93/08/19/553930819.db2.gz QMZDGQSIGVMSPD-SOKVYYICSA-N -1 1 554.624 5.976 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000097968369 553931459 /nfs/dbraw/zinc/93/14/59/553931459.db2.gz SHNOUVCSGYFBMP-HSZRJFAPSA-N -1 1 577.615 5.229 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097968383 553931590 /nfs/dbraw/zinc/93/15/90/553931590.db2.gz OLDFETPQTWZVCQ-PLTNMMHCSA-N -1 1 716.668 8.823 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000097968354 553931615 /nfs/dbraw/zinc/93/16/15/553931615.db2.gz PCNKJAZIVDQLJD-IZHWHUGBSA-N -1 1 575.643 5.781 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968390 553931975 /nfs/dbraw/zinc/93/19/75/553931975.db2.gz XAXDCPRQUDHEQE-SANMLTNESA-N -1 1 619.696 6.312 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968411 553931991 /nfs/dbraw/zinc/93/19/91/553931991.db2.gz QACARLVBDWEHHK-SANMLTNESA-N -1 1 636.151 6.827 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097968384 553932030 /nfs/dbraw/zinc/93/20/30/553932030.db2.gz OLDFETPQTWZVCQ-PKHCJMHPSA-N -1 1 716.668 8.823 50 30 KKEAMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(/N=C/c3c(O)ccc4ccccc43)c2)cc(C(=O)OC)c1 ZINC000033355039 553932833 /nfs/dbraw/zinc/93/28/33/553932833.db2.gz BPYSVOPMUMPLQY-WKULSOCRSA-N -1 1 552.992 5.323 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969131 553936846 /nfs/dbraw/zinc/93/68/46/553936846.db2.gz NRPXHEPRIBZVTO-CRYYWNKWSA-N -1 1 556.640 6.200 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097969134 553937004 /nfs/dbraw/zinc/93/70/04/553937004.db2.gz DJXHQYVHANNUIN-MYYSRTQBSA-N -1 1 594.089 6.729 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969140 553937083 /nfs/dbraw/zinc/93/70/83/553937083.db2.gz YGFQPUVYTGIHNR-WGDIFIGCSA-N -1 1 603.697 6.475 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969179 553937404 /nfs/dbraw/zinc/93/74/04/553937404.db2.gz DZOSDCCNZQUXFW-QYBDOPJKSA-N -1 1 590.698 6.159 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969179 553937407 /nfs/dbraw/zinc/93/74/07/553937407.db2.gz DZOSDCCNZQUXFW-QYBDOPJKSA-N -1 1 590.698 6.159 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969190 553937966 /nfs/dbraw/zinc/93/79/66/553937966.db2.gz WFYJULAQFDODCZ-WZQKQDCOSA-N -1 1 577.058 6.463 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969251 553938745 /nfs/dbraw/zinc/93/87/45/553938745.db2.gz MPICMOCLCBGXDP-XDBZFTIUSA-N -1 1 570.667 6.590 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097969309 553939448 /nfs/dbraw/zinc/93/94/48/553939448.db2.gz SMGQYUALHBERDA-GDLZYMKVSA-N -1 1 642.730 6.706 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097969341 553939782 /nfs/dbraw/zinc/93/97/82/553939782.db2.gz RVFBZUUSSBOFIF-SGANQWHYSA-N -1 1 591.483 6.564 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969356 553940122 /nfs/dbraw/zinc/94/01/22/553940122.db2.gz QUSXHHOYRTUXTC-WRONEBCDSA-N -1 1 662.233 8.015 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097969566 553942166 /nfs/dbraw/zinc/94/21/66/553942166.db2.gz MAQLHTIFTSMANG-QHCPKHFHSA-N -1 1 569.422 6.166 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097969589 553942520 /nfs/dbraw/zinc/94/25/20/553942520.db2.gz XJYHAOMGDXJZLN-BGOLNKOXSA-N -1 1 612.748 7.453 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969608 553942899 /nfs/dbraw/zinc/94/28/99/553942899.db2.gz WWYFWOHMVRIIKD-KWMCUTETSA-N -1 1 568.651 6.366 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097969624 553942915 /nfs/dbraw/zinc/94/29/15/553942915.db2.gz FWCXPYNGIJJICV-WRHNGFHOSA-N -1 1 604.725 6.728 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097969624 553942917 /nfs/dbraw/zinc/94/29/17/553942917.db2.gz FWCXPYNGIJJICV-WRHNGFHOSA-N -1 1 604.725 6.728 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969604 553942931 /nfs/dbraw/zinc/94/29/31/553942931.db2.gz OBKNOLUIEOMLTL-PPHZAIPVSA-N -1 1 602.709 6.326 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969604 553942933 /nfs/dbraw/zinc/94/29/33/553942933.db2.gz OBKNOLUIEOMLTL-PPHZAIPVSA-N -1 1 602.709 6.326 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969652 553943401 /nfs/dbraw/zinc/94/34/01/553943401.db2.gz VLCALTNROZAOOJ-IVCQMTBJSA-N -1 1 606.125 6.599 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969736 553944121 /nfs/dbraw/zinc/94/41/21/553944121.db2.gz KCRJCYIUCXXRLV-SONOPUAISA-N -1 1 659.761 7.039 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969745 553944238 /nfs/dbraw/zinc/94/42/38/553944238.db2.gz IMAQYRVABKJIHF-WWOZWPLTSA-N -1 1 609.103 7.635 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969745 553944245 /nfs/dbraw/zinc/94/42/45/553944245.db2.gz IMAQYRVABKJIHF-WWOZWPLTSA-N -1 1 609.103 7.635 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccccc2)nc1C ZINC000097969763 553944700 /nfs/dbraw/zinc/94/47/00/553944700.db2.gz OAQPICBQFFJHNV-MHZLTWQESA-N -1 1 580.662 6.465 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccccc2)nc1C ZINC000097969763 553944703 /nfs/dbraw/zinc/94/47/03/553944703.db2.gz OAQPICBQFFJHNV-MHZLTWQESA-N -1 1 580.662 6.465 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097969807 553944915 /nfs/dbraw/zinc/94/49/15/553944915.db2.gz YSZPCTJBGXLBDS-MHZLTWQESA-N -1 1 614.676 6.013 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969820 553945419 /nfs/dbraw/zinc/94/54/19/553945419.db2.gz CTEFDNGIPHSPPD-YRVHBCJASA-N -1 1 600.693 6.599 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969820 553945422 /nfs/dbraw/zinc/94/54/22/553945422.db2.gz CTEFDNGIPHSPPD-YRVHBCJASA-N -1 1 600.693 6.599 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097969863 553945942 /nfs/dbraw/zinc/94/59/42/553945942.db2.gz KTMZPSAPCJEGEK-MHZLTWQESA-N -1 1 570.623 5.675 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097969840 553945952 /nfs/dbraw/zinc/94/59/52/553945952.db2.gz KXGYQRZJBARZSK-KWMCUTETSA-N -1 1 682.651 8.422 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000097969889 553946343 /nfs/dbraw/zinc/94/63/43/553946343.db2.gz CQFCLHSSESUYOL-BGOLNKOXSA-N -1 1 689.831 7.899 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969884 553946381 /nfs/dbraw/zinc/94/63/81/553946381.db2.gz XUSYBQWYCABQCX-PKHCJMHPSA-N -1 1 628.747 7.235 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969884 553946386 /nfs/dbraw/zinc/94/63/86/553946386.db2.gz XUSYBQWYCABQCX-PKHCJMHPSA-N -1 1 628.747 7.235 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969893 553946421 /nfs/dbraw/zinc/94/64/21/553946421.db2.gz HPUYVWJNOXGTLP-DEOSSOPVSA-N -1 1 578.643 5.361 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969887 553946521 /nfs/dbraw/zinc/94/65/21/553946521.db2.gz XUSYBQWYCABQCX-QJWGWKRISA-N -1 1 628.747 7.235 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969887 553946525 /nfs/dbraw/zinc/94/65/25/553946525.db2.gz XUSYBQWYCABQCX-QJWGWKRISA-N -1 1 628.747 7.235 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969960 553947709 /nfs/dbraw/zinc/94/77/09/553947709.db2.gz MVASUSTXHAGVKS-OLILMLBXSA-N -1 1 643.787 7.124 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097969996 553948273 /nfs/dbraw/zinc/94/82/73/553948273.db2.gz ARUVKLHDGYVQME-KTBRYMIGSA-N -1 1 642.774 7.625 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970034 553948466 /nfs/dbraw/zinc/94/84/66/553948466.db2.gz CQFNRBHTFXLVBR-SONOPUAISA-N -1 1 621.740 7.099 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097970028 553948739 /nfs/dbraw/zinc/94/87/39/553948739.db2.gz UAALTTXIGXITPE-XMMPIXPASA-N -1 1 560.628 5.472 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097970028 553948741 /nfs/dbraw/zinc/94/87/41/553948741.db2.gz UAALTTXIGXITPE-XMMPIXPASA-N -1 1 560.628 5.472 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000097970095 553949557 /nfs/dbraw/zinc/94/95/57/553949557.db2.gz RHAHLGYFQJIMPY-YUYWZBKDSA-N -1 1 705.858 8.223 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097970111 553949672 /nfs/dbraw/zinc/94/96/72/553949672.db2.gz RRQDENMUZHVNLS-QTYPKTMWSA-N -1 1 653.156 8.034 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097970111 553949674 /nfs/dbraw/zinc/94/96/74/553949674.db2.gz RRQDENMUZHVNLS-QTYPKTMWSA-N -1 1 653.156 8.034 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097970119 553950157 /nfs/dbraw/zinc/95/01/57/553950157.db2.gz WKGOUMMXCRKLTE-QWXGXRTQSA-N -1 1 588.638 5.437 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097970119 553950159 /nfs/dbraw/zinc/95/01/59/553950159.db2.gz WKGOUMMXCRKLTE-QWXGXRTQSA-N -1 1 588.638 5.437 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970166 553950465 /nfs/dbraw/zinc/95/04/65/553950465.db2.gz YISZKSHSNAKION-SONOPUAISA-N -1 1 661.777 7.263 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970152 553950483 /nfs/dbraw/zinc/95/04/83/553950483.db2.gz MTKXQTKARLKASV-KWMCUTETSA-N -1 1 647.750 6.873 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097970190 553950796 /nfs/dbraw/zinc/95/07/96/553950796.db2.gz OHNHVGRDRMNJPG-JCOAXYOVSA-N -1 1 689.831 8.044 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097970206 553950800 /nfs/dbraw/zinc/95/08/00/553950800.db2.gz TZUOXWWBQWPETP-ULKXQASOSA-N -1 1 632.738 7.689 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000097970202 553950896 /nfs/dbraw/zinc/95/08/96/553950896.db2.gz BEQZGUPZGZIKEH-DHYKOVJISA-N -1 1 709.821 8.054 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097970209 553950905 /nfs/dbraw/zinc/95/09/05/553950905.db2.gz TZUOXWWBQWPETP-NBLPZQPVSA-N -1 1 632.738 7.689 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970198 553950922 /nfs/dbraw/zinc/95/09/22/553950922.db2.gz UQNYJGMXKNFWLD-ROTAYESASA-N -1 1 689.831 8.044 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970235 553951189 /nfs/dbraw/zinc/95/11/89/553951189.db2.gz DONRJXXMKFYYOL-JCOAXYOVSA-N -1 1 633.795 8.213 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097970217 553951223 /nfs/dbraw/zinc/95/12/23/553951223.db2.gz XDUHDAMLSZHPOU-SLQAJWMNSA-N -1 1 696.678 8.813 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000097970360 553952866 /nfs/dbraw/zinc/95/28/66/553952866.db2.gz TYPNRCBRLJCNSC-ROTAYESASA-N -1 1 706.286 8.414 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970347 553952949 /nfs/dbraw/zinc/95/29/49/553952949.db2.gz OSIXMIRGXPJXFD-DNOBIOAJSA-N -1 1 634.179 7.379 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970438 553954179 /nfs/dbraw/zinc/95/41/79/553954179.db2.gz GJLGCSMHCYNFFS-NDEPHWFRSA-N -1 1 586.666 6.428 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970438 553954181 /nfs/dbraw/zinc/95/41/81/553954181.db2.gz GJLGCSMHCYNFFS-NDEPHWFRSA-N -1 1 586.666 6.428 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097970480 553954613 /nfs/dbraw/zinc/95/46/13/553954613.db2.gz KCNAMNPYIMCHCP-MGBGTMOVSA-N -1 1 664.736 7.227 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097970480 553954616 /nfs/dbraw/zinc/95/46/16/553954616.db2.gz KCNAMNPYIMCHCP-MGBGTMOVSA-N -1 1 664.736 7.227 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097970490 553954982 /nfs/dbraw/zinc/95/49/82/553954982.db2.gz MCUHKIKQXSIJSQ-DHYKOVJISA-N -1 1 693.847 8.277 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970505 553955070 /nfs/dbraw/zinc/95/50/70/553955070.db2.gz WICDEVOXFPZIPD-IVCQMTBJSA-N -1 1 634.135 6.377 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970513 553955127 /nfs/dbraw/zinc/95/51/27/553955127.db2.gz RRCHHMLAVJLNHH-JYRCXFKTSA-N -1 1 605.112 7.244 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970513 553955132 /nfs/dbraw/zinc/95/51/32/553955132.db2.gz RRCHHMLAVJLNHH-JYRCXFKTSA-N -1 1 605.112 7.244 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970520 553955391 /nfs/dbraw/zinc/95/53/91/553955391.db2.gz ZOZJOXPVHOSPKB-WRONEBCDSA-N -1 1 622.699 6.480 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970520 553955396 /nfs/dbraw/zinc/95/53/96/553955396.db2.gz ZOZJOXPVHOSPKB-WRONEBCDSA-N -1 1 622.699 6.480 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970539 553955479 /nfs/dbraw/zinc/95/54/79/553955479.db2.gz NEXGSQATWVFRKW-AFJIDDCJSA-N -1 1 643.787 7.043 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970554 553955865 /nfs/dbraw/zinc/95/58/65/553955865.db2.gz DUIUSWNCWUHUMV-OYLFLEFRSA-N -1 1 578.643 5.142 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970554 553955868 /nfs/dbraw/zinc/95/58/68/553955868.db2.gz DUIUSWNCWUHUMV-OYLFLEFRSA-N -1 1 578.643 5.142 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097970566 553956008 /nfs/dbraw/zinc/95/60/08/553956008.db2.gz FSZLIGBAXAQBIQ-ADXZGYQBSA-N -1 1 584.694 6.899 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970549 553956024 /nfs/dbraw/zinc/95/60/24/553956024.db2.gz MDRZDNAPJYGKIQ-GDLZYMKVSA-N -1 1 600.693 6.655 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970629 553956698 /nfs/dbraw/zinc/95/66/98/553956698.db2.gz DUOMMFJASQHQCP-ROTAYESASA-N -1 1 666.752 6.878 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970629 553956700 /nfs/dbraw/zinc/95/67/00/553956700.db2.gz DUOMMFJASQHQCP-ROTAYESASA-N -1 1 666.752 6.878 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097970631 553956874 /nfs/dbraw/zinc/95/68/74/553956874.db2.gz VXGNNTJHKOGTDX-RBSBEOHCSA-N -1 1 619.139 7.634 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970645 553957254 /nfs/dbraw/zinc/95/72/54/553957254.db2.gz NHIXYHRVZMFILZ-XBBWARJSSA-N -1 1 584.694 6.980 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000097970690 553957558 /nfs/dbraw/zinc/95/75/58/553957558.db2.gz YTBXSWFUEPUAKW-HKBQPEDESA-N -1 1 604.684 7.046 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097970698 553957612 /nfs/dbraw/zinc/95/76/12/553957612.db2.gz RSEGNZCTDVBTEP-SSOJOUAXSA-N -1 1 571.680 5.945 50 30 KKEAMM CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](O)CO)OC(=O)CCCCCCCCCCC ZINC000097972504 553967055 /nfs/dbraw/zinc/96/70/55/553967055.db2.gz LHCZDUCPSRJDJT-WUFINQPMSA-N -1 1 610.766 6.770 50 30 in-vitro KKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)cc2)cc1 ZINC000097981455 553994185 /nfs/dbraw/zinc/99/41/85/553994185.db2.gz UGOFOCXHUOAZLS-HMMYKYKNSA-N -1 1 559.647 7.291 50 30 KKEAMM CCCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc21 ZINC000097986428 554024059 /nfs/dbraw/zinc/02/40/59/554024059.db2.gz NBPFXJXOFAJHPM-UHFFFAOYSA-N -1 1 534.634 6.778 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccncc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000097987830 554027522 /nfs/dbraw/zinc/02/75/22/554027522.db2.gz SLIULMJRTZDJGG-OAQYLSRUSA-N -1 1 520.408 5.854 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccncc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000097987830 554027524 /nfs/dbraw/zinc/02/75/24/554027524.db2.gz SLIULMJRTZDJGG-OAQYLSRUSA-N -1 1 520.408 5.854 50 30 KKEAMM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(Cc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2)cc1 ZINC000097997771 554040290 /nfs/dbraw/zinc/04/02/90/554040290.db2.gz QHOQWEKUAGIIPX-KBVBXEEASA-N -1 1 722.069 9.240 50 30 KKEAMM CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000097999859 554046489 /nfs/dbraw/zinc/04/64/89/554046489.db2.gz PVDPLAQFKGFUOT-DJRZPZLQSA-N -1 1 665.186 8.392 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3)cc2)c1 ZINC000098045756 554133743 /nfs/dbraw/zinc/13/37/43/554133743.db2.gz KKJUPGZIQGQTCJ-LJAQVGFWSA-N -1 1 623.731 7.640 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCC)cc2)cc1C ZINC000098046315 554137629 /nfs/dbraw/zinc/13/76/29/554137629.db2.gz OHRIIWWCPMGOKN-VWLOTQADSA-N -1 1 576.671 6.073 50 30 KKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000098046310 554137644 /nfs/dbraw/zinc/13/76/44/554137644.db2.gz OCGGVNCNZDYPDH-HSZRJFAPSA-N -1 1 532.618 5.593 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000098046310 554137646 /nfs/dbraw/zinc/13/76/46/554137646.db2.gz OCGGVNCNZDYPDH-HSZRJFAPSA-N -1 1 532.618 5.593 50 30 KKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC)cc2)cc1C ZINC000098046312 554137671 /nfs/dbraw/zinc/13/76/71/554137671.db2.gz HREJFLJMBRGIMF-XMMPIXPASA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC)cc2)cc1C ZINC000098046312 554137672 /nfs/dbraw/zinc/13/76/72/554137672.db2.gz HREJFLJMBRGIMF-XMMPIXPASA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000098046334 554137917 /nfs/dbraw/zinc/13/79/17/554137917.db2.gz ZLBZRMAGIIZCKJ-JOCHJYFZSA-N -1 1 553.036 5.938 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098046425 554139049 /nfs/dbraw/zinc/13/90/49/554139049.db2.gz SGMACPNDFDPLBZ-MHZLTWQESA-N -1 1 682.220 7.471 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1F ZINC000098046517 554140253 /nfs/dbraw/zinc/14/02/53/554140253.db2.gz SGJZGISJQPXYLM-NDEPHWFRSA-N -1 1 673.744 6.940 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)o1 ZINC000098046546 554140679 /nfs/dbraw/zinc/14/06/79/554140679.db2.gz VIQFMLCLVMIXTG-QFIPXVFZSA-N -1 1 547.589 6.400 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000098046604 554141459 /nfs/dbraw/zinc/14/14/59/554141459.db2.gz MNWANIXQDNYJRV-AREMUKBSSA-N -1 1 670.596 7.480 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046619 554141475 /nfs/dbraw/zinc/14/14/75/554141475.db2.gz ZVZHXENIRKZNOU-SANMLTNESA-N -1 1 542.613 5.948 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098046712 554142695 /nfs/dbraw/zinc/14/26/95/554142695.db2.gz ZUHLMDJZLXHAIJ-QHCPKHFHSA-N -1 1 577.615 5.664 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098046715 554142802 /nfs/dbraw/zinc/14/28/02/554142802.db2.gz LMHOSRSDPYBWAA-OAQYLSRUSA-N -1 1 551.671 5.692 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098046716 554142833 /nfs/dbraw/zinc/14/28/33/554142833.db2.gz LMHOSRSDPYBWAA-NRFANRHFSA-N -1 1 551.671 5.692 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098047260 554148501 /nfs/dbraw/zinc/14/85/01/554148501.db2.gz HLSDWWUCOUULJD-PMERELPUSA-N -1 1 704.201 8.002 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000098047369 554150081 /nfs/dbraw/zinc/15/00/81/554150081.db2.gz ZMJLSXVMALZUTQ-MHZLTWQESA-N -1 1 601.750 7.191 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047381 554150191 /nfs/dbraw/zinc/15/01/91/554150191.db2.gz GKSNXVRPTXSSGA-NDEPHWFRSA-N -1 1 613.805 8.090 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047381 554150192 /nfs/dbraw/zinc/15/01/92/554150192.db2.gz GKSNXVRPTXSSGA-NDEPHWFRSA-N -1 1 613.805 8.090 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047418 554150479 /nfs/dbraw/zinc/15/04/79/554150479.db2.gz ULXYVYIMGYHLPE-GDLZYMKVSA-N -1 1 629.804 7.889 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098047394 554150581 /nfs/dbraw/zinc/15/05/81/554150581.db2.gz SHWUVZWMEWCZRM-XMMPIXPASA-N -1 1 596.105 7.113 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000098047417 554150600 /nfs/dbraw/zinc/15/06/00/554150600.db2.gz HCSNZWUEVUMLPY-HKBQPEDESA-N -1 1 657.858 8.670 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047419 554150609 /nfs/dbraw/zinc/15/06/09/554150609.db2.gz ULXYVYIMGYHLPE-LJAQVGFWSA-N -1 1 629.804 7.889 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047425 554150888 /nfs/dbraw/zinc/15/08/88/554150888.db2.gz CMODIUNOACYFRJ-LJAQVGFWSA-N -1 1 647.794 8.110 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047424 554151003 /nfs/dbraw/zinc/15/10/03/554151003.db2.gz CMODIUNOACYFRJ-GDLZYMKVSA-N -1 1 647.794 8.110 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047463 554151321 /nfs/dbraw/zinc/15/13/21/554151321.db2.gz DDPJLRWNEMYGKZ-YTTGMZPUSA-N -1 1 681.811 8.510 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098047469 554151482 /nfs/dbraw/zinc/15/14/82/554151482.db2.gz YOFGOYSQKJAROG-LJAQVGFWSA-N -1 1 643.787 7.366 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000098047478 554151527 /nfs/dbraw/zinc/15/15/27/554151527.db2.gz MNRSOSLQGVAGQK-XMMPIXPASA-N -1 1 590.654 5.543 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047508 554151712 /nfs/dbraw/zinc/15/17/12/554151712.db2.gz WTXAZXBVUUBPSW-HKBQPEDESA-N -1 1 654.785 7.805 50 30 KKEAMM CCCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OC ZINC000098047482 554151719 /nfs/dbraw/zinc/15/17/19/554151719.db2.gz WMYFXNXFCQUDBJ-XIFFEERXSA-N -1 1 736.356 9.803 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047502 554151867 /nfs/dbraw/zinc/15/18/67/554151867.db2.gz BJMDPHUIRMUSCC-VWLOTQADSA-N -1 1 606.697 6.013 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000098047524 554152309 /nfs/dbraw/zinc/15/23/09/554152309.db2.gz NMOFKRJMBSYBNP-HSZRJFAPSA-N -1 1 567.063 6.410 50 30 KKEAMM CCCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098047550 554152631 /nfs/dbraw/zinc/15/26/31/554152631.db2.gz MXBWJXHAUYDPMY-XIFFEERXSA-N -1 1 701.911 9.150 50 30 KKEAMM CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098047563 554152649 /nfs/dbraw/zinc/15/26/49/554152649.db2.gz DKRWGLFVJNDNCI-JGCGQSQUSA-N -1 1 687.884 8.760 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047585 554152922 /nfs/dbraw/zinc/15/29/22/554152922.db2.gz ZHGHUAJGSKIUHN-WJOKGBTCSA-N -1 1 708.302 8.879 50 30 KKEAMM CCCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000098047595 554153152 /nfs/dbraw/zinc/15/31/52/554153152.db2.gz ABUIDBDXTIJAEZ-UUWRZZSWSA-N -1 1 715.938 9.458 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000098047605 554153556 /nfs/dbraw/zinc/15/35/56/554153556.db2.gz MWDJRYFFAQMHHY-AREMUKBSSA-N -1 1 606.169 7.754 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047633 554154036 /nfs/dbraw/zinc/15/40/36/554154036.db2.gz XQDRIVMCZCZUGG-MUUNZHRXSA-N -1 1 636.767 7.168 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047694 554154386 /nfs/dbraw/zinc/15/43/86/554154386.db2.gz ZWACZXUBVKRNEH-VWLOTQADSA-N -1 1 602.694 6.700 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C)cc2)cc1F ZINC000098047741 554155386 /nfs/dbraw/zinc/15/53/86/554155386.db2.gz AZSIWHXXZGASCX-HHHXNRCGSA-N -1 1 597.693 7.223 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047768 554155840 /nfs/dbraw/zinc/15/58/40/554155840.db2.gz BPGJXYOAAPHCCM-NDEPHWFRSA-N -1 1 653.738 6.570 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000098047762 554155858 /nfs/dbraw/zinc/15/58/58/554155858.db2.gz DCBDTGFNIZMVMP-XIFFEERXSA-N -1 1 673.791 8.793 50 30 KKEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000098047841 554156647 /nfs/dbraw/zinc/15/66/47/554156647.db2.gz MWEMJARKKKZJGV-GDLZYMKVSA-N -1 1 623.775 8.512 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000098047841 554156648 /nfs/dbraw/zinc/15/66/48/554156648.db2.gz MWEMJARKKKZJGV-GDLZYMKVSA-N -1 1 623.775 8.512 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047826 554156742 /nfs/dbraw/zinc/15/67/42/554156742.db2.gz QLFAAVFSDKHMEJ-NDEPHWFRSA-N -1 1 611.720 7.613 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098047898 554157355 /nfs/dbraw/zinc/15/73/55/554157355.db2.gz IQYGSRYXURFISQ-MHZLTWQESA-N -1 1 625.659 6.373 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)ccc1O ZINC000098048008 554158361 /nfs/dbraw/zinc/15/83/61/554158361.db2.gz LTNXXMLMPMWVGJ-RUZDIDTESA-N -1 1 528.586 5.528 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048043 554158863 /nfs/dbraw/zinc/15/88/63/554158863.db2.gz OZNGOBIQYISKGV-XDBZFTIUSA-N -1 1 572.658 7.111 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048043 554158864 /nfs/dbraw/zinc/15/88/64/554158864.db2.gz OZNGOBIQYISKGV-XDBZFTIUSA-N -1 1 572.658 7.111 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098048030 554158889 /nfs/dbraw/zinc/15/88/89/554158889.db2.gz ZOSBMVUQTYTLAQ-QUGAMOGWSA-N -1 1 539.613 5.532 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098048030 554158891 /nfs/dbraw/zinc/15/88/91/554158891.db2.gz ZOSBMVUQTYTLAQ-QUGAMOGWSA-N -1 1 539.613 5.532 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048038 554158900 /nfs/dbraw/zinc/15/89/00/554158900.db2.gz CJKLLEYDMYMOTL-LBEKAKSKSA-N -1 1 602.684 7.119 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048038 554158902 /nfs/dbraw/zinc/15/89/02/554158902.db2.gz CJKLLEYDMYMOTL-LBEKAKSKSA-N -1 1 602.684 7.119 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000098048182 554160221 /nfs/dbraw/zinc/16/02/21/554160221.db2.gz WVSXOSJTLOYNNM-QUGAMOGWSA-N -1 1 563.676 5.776 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000098048182 554160224 /nfs/dbraw/zinc/16/02/24/554160224.db2.gz WVSXOSJTLOYNNM-QUGAMOGWSA-N -1 1 563.676 5.776 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1C ZINC000098050342 554174033 /nfs/dbraw/zinc/17/40/33/554174033.db2.gz GLHYEIXFTQQNJD-OAQYLSRUSA-N -1 1 539.009 5.548 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000098050346 554174053 /nfs/dbraw/zinc/17/40/53/554174053.db2.gz PGFWZYPIZUXBLH-OAQYLSRUSA-N -1 1 539.009 5.548 50 30 KKEAMM O=S(=O)([N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000100004832 554177805 /nfs/dbraw/zinc/17/78/05/554177805.db2.gz QVBCQGVFKJHZAF-UHFFFAOYSA-N -1 1 516.179 6.306 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000100340490 554324977 /nfs/dbraw/zinc/32/49/77/554324977.db2.gz PVKFRVADIZVEJR-JBCNATCCSA-N -1 1 532.312 6.103 50 30 KKEAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000053276041 554330512 /nfs/dbraw/zinc/33/05/12/554330512.db2.gz JIMPHZVSIVMXET-ICACTRECSA-N -1 1 584.625 5.256 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053291975 554332078 /nfs/dbraw/zinc/33/20/78/554332078.db2.gz UVMHLDQBIWAHMV-JOCHJYFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053291975 554332081 /nfs/dbraw/zinc/33/20/81/554332081.db2.gz UVMHLDQBIWAHMV-JOCHJYFZSA-N -1 1 535.419 6.159 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053292125 554332285 /nfs/dbraw/zinc/33/22/85/554332285.db2.gz OXBUWBPABFFGEW-DNOBIOAJSA-N -1 1 540.641 6.500 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053306224 554333514 /nfs/dbraw/zinc/33/35/14/554333514.db2.gz VALIIMDUQMYYMM-JOCHJYFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053306224 554333511 /nfs/dbraw/zinc/33/35/11/554333511.db2.gz VALIIMDUQMYYMM-JOCHJYFZSA-N -1 1 535.419 6.159 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000053307083 554334766 /nfs/dbraw/zinc/33/47/66/554334766.db2.gz VASYFMKXSVVOTM-VWLOTQADSA-N -1 1 544.629 6.112 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C ZINC000053307809 554335516 /nfs/dbraw/zinc/33/55/16/554335516.db2.gz RISMILBXXPONDH-HXUWFJFHSA-N -1 1 571.449 5.491 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053319104 554335812 /nfs/dbraw/zinc/33/58/12/554335812.db2.gz BDXQRTMYAOTZAV-HSZRJFAPSA-N -1 1 565.445 6.249 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053319132 554336252 /nfs/dbraw/zinc/33/62/52/554336252.db2.gz ZBHSHRZWOIFKKT-HSZRJFAPSA-N -1 1 565.445 6.249 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000053319148 554336347 /nfs/dbraw/zinc/33/63/47/554336347.db2.gz DFQQALJUILUIJC-CBZJRKILSA-N -1 1 556.640 6.200 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053319133 554336370 /nfs/dbraw/zinc/33/63/70/554336370.db2.gz ZBHSHRZWOIFKKT-QHCPKHFHSA-N -1 1 565.445 6.249 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053319410 554337900 /nfs/dbraw/zinc/33/79/00/554337900.db2.gz ZHHAGKOIHDLONR-SANMLTNESA-N -1 1 542.613 5.948 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053332225 554338979 /nfs/dbraw/zinc/33/89/79/554338979.db2.gz IZEABDIZIXOKJN-SANMLTNESA-N -1 1 540.597 5.724 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053335290 554340638 /nfs/dbraw/zinc/34/06/38/554340638.db2.gz LZQZQHHAMVRXQN-QHCPKHFHSA-N -1 1 529.530 5.067 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000053336066 554341471 /nfs/dbraw/zinc/34/14/71/554341471.db2.gz HINZALNEPYMKJS-DXPJPUQTSA-N -1 1 542.613 5.810 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053337261 554342005 /nfs/dbraw/zinc/34/20/05/554342005.db2.gz OCNRGNXMNIGZBG-NRFANRHFSA-N -1 1 539.382 5.989 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053338530 554342690 /nfs/dbraw/zinc/34/26/90/554342690.db2.gz SZADKFGJAVWAFH-HHHXNRCGSA-N -1 1 570.667 6.547 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000053338737 554342745 /nfs/dbraw/zinc/34/27/45/554342745.db2.gz KRLVJZGMFUJUKE-QFIPXVFZSA-N -1 1 549.948 5.412 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000053339124 554343012 /nfs/dbraw/zinc/34/30/12/554343012.db2.gz PKIBAAPQKOEGNY-ZLOXQWCVSA-N -1 1 520.969 6.195 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053338907 554343024 /nfs/dbraw/zinc/34/30/24/554343024.db2.gz VKWFMAPDLQTJQC-RUZDIDTESA-N -1 1 556.596 5.254 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000053339300 554343579 /nfs/dbraw/zinc/34/35/79/554343579.db2.gz PNNHZIQHDRPYHG-ZLOXQWCVSA-N -1 1 520.969 6.195 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053340146 554343749 /nfs/dbraw/zinc/34/37/49/554343749.db2.gz RQGZFDXKYQFYSC-DEOSSOPVSA-N -1 1 593.455 6.012 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000053339843 554343951 /nfs/dbraw/zinc/34/39/51/554343951.db2.gz ZAVFACRFGUKUQV-HXUWFJFHSA-N -1 1 547.630 6.648 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053340542 554344181 /nfs/dbraw/zinc/34/41/81/554344181.db2.gz YXXQEELBBXLYDF-XMMPIXPASA-N -1 1 565.047 6.375 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053340542 554344184 /nfs/dbraw/zinc/34/41/84/554344184.db2.gz YXXQEELBBXLYDF-XMMPIXPASA-N -1 1 565.047 6.375 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(Br)cc3s2)cc1OC ZINC000053354216 554344672 /nfs/dbraw/zinc/34/46/72/554344672.db2.gz SIVPSNBVMLSVPP-JOCHJYFZSA-N -1 1 551.418 5.859 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(Br)cc3s2)cc1OC ZINC000053354216 554344669 /nfs/dbraw/zinc/34/46/69/554344669.db2.gz SIVPSNBVMLSVPP-JOCHJYFZSA-N -1 1 551.418 5.859 50 30 KKEAMM [O-]c1c(Br)cc(Cc2ccccc2Cl)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000100454876 554395643 /nfs/dbraw/zinc/39/56/43/554395643.db2.gz QVJZOIADXSKKNV-HIWRWHBISA-N -1 1 586.700 9.265 50 30 KKEAMM O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])cc1)c1ccc(Cl)cc1Cl ZINC000100457254 554396656 /nfs/dbraw/zinc/39/66/56/554396656.db2.gz PWOYCSQUNHNDHR-VWJSQJICSA-N -1 1 588.716 8.709 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000100675298 554443732 /nfs/dbraw/zinc/44/37/32/554443732.db2.gz CCDDFJHGEINEFS-AREMUKBSSA-N -1 1 592.714 6.625 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100677208 554444285 /nfs/dbraw/zinc/44/42/85/554444285.db2.gz OVVOIUDJPYTSCC-IBGZPJMESA-N -1 1 549.407 6.165 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000100677306 554444641 /nfs/dbraw/zinc/44/46/41/554444641.db2.gz IPMCHLYSTKERAQ-DEOSSOPVSA-N -1 1 564.660 5.989 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100679529 554445278 /nfs/dbraw/zinc/44/52/78/554445278.db2.gz MHCVFDXCDPVPMU-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000100679863 554445661 /nfs/dbraw/zinc/44/56/61/554445661.db2.gz ZFBGRWMOAONXFM-QHCPKHFHSA-N -1 1 550.633 5.599 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000100679863 554445663 /nfs/dbraw/zinc/44/56/63/554445663.db2.gz ZFBGRWMOAONXFM-QHCPKHFHSA-N -1 1 550.633 5.599 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000100679846 554445675 /nfs/dbraw/zinc/44/56/75/554445675.db2.gz FNYVYLMDDWVJKA-HHHXNRCGSA-N -1 1 622.740 6.778 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000100679846 554445676 /nfs/dbraw/zinc/44/56/76/554445676.db2.gz FNYVYLMDDWVJKA-HHHXNRCGSA-N -1 1 622.740 6.778 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000100679711 554445678 /nfs/dbraw/zinc/44/56/78/554445678.db2.gz NGELUPZQTKTZKM-QFIPXVFZSA-N -1 1 555.052 6.243 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000100679852 554445693 /nfs/dbraw/zinc/44/56/93/554445693.db2.gz FNYVYLMDDWVJKA-MHZLTWQESA-N -1 1 622.740 6.778 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000100679852 554445694 /nfs/dbraw/zinc/44/56/94/554445694.db2.gz FNYVYLMDDWVJKA-MHZLTWQESA-N -1 1 622.740 6.778 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000100680314 554446420 /nfs/dbraw/zinc/44/64/20/554446420.db2.gz LJAXNBAQJPPBRF-QHCPKHFHSA-N -1 1 567.063 6.410 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100680417 554446693 /nfs/dbraw/zinc/44/66/93/554446693.db2.gz IBJFIBKKOSMTIG-SANMLTNESA-N -1 1 588.726 7.054 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000100680690 554446787 /nfs/dbraw/zinc/44/67/87/554446787.db2.gz ZRYLZMBCDVNTFW-QFIPXVFZSA-N -1 1 536.606 5.209 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000100680403 554446831 /nfs/dbraw/zinc/44/68/31/554446831.db2.gz PLBUWKQJWBYOHP-GDLZYMKVSA-N -1 1 624.715 7.548 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000100681022 554447162 /nfs/dbraw/zinc/44/71/62/554447162.db2.gz MVHIQVMWWQXIGO-XMMPIXPASA-N -1 1 564.660 5.989 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccc(F)c2)nc1C ZINC000100681048 554447184 /nfs/dbraw/zinc/44/71/84/554447184.db2.gz BZMOVZCYIHMLOW-QHCPKHFHSA-N -1 1 550.608 5.895 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000100681011 554447219 /nfs/dbraw/zinc/44/72/19/554447219.db2.gz OXDAVLPYEBQXQV-MUUNZHRXSA-N -1 1 634.751 6.944 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100681125 554447228 /nfs/dbraw/zinc/44/72/28/554447228.db2.gz WIIOGEVQCWZQFF-AREMUKBSSA-N -1 1 592.714 6.769 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000100681116 554447242 /nfs/dbraw/zinc/44/72/42/554447242.db2.gz JQWULEAHJXJTIP-JOCHJYFZSA-N -1 1 536.606 5.209 50 30 KKEAMM CCCCCCCCCCCCCCCCCCOc1ccccc1C([O-])=C(C(C)=O)C(=O)OCC ZINC000100740183 554462868 /nfs/dbraw/zinc/46/28/68/554462868.db2.gz DLMPGXNICRORFT-GDLZYMKVSA-N -1 1 502.736 8.278 50 30 KKEAMM CCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000100858256 554494116 /nfs/dbraw/zinc/49/41/16/554494116.db2.gz UXOBFJWGSOPIAM-UHFFFAOYSA-N -1 1 575.768 7.832 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(Br)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069781 554574111 /nfs/dbraw/zinc/57/41/11/554574111.db2.gz APGDBIZAZADHIX-JBCNATCCSA-N -1 1 584.289 6.756 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101069823 554574373 /nfs/dbraw/zinc/57/43/73/554574373.db2.gz SKFQXADIGGLKHZ-IAMBOQNYSA-N -1 1 553.865 6.955 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101072818 554576446 /nfs/dbraw/zinc/57/64/46/554576446.db2.gz KFGQBQRKMSZQGW-YDJIHCHBSA-N -1 1 570.262 6.448 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072986 554576494 /nfs/dbraw/zinc/57/64/94/554576494.db2.gz QUVMCKCONUXHRG-ZZIWUOEGSA-N -1 1 577.456 6.073 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072986 554576497 /nfs/dbraw/zinc/57/64/97/554576497.db2.gz QUVMCKCONUXHRG-ZZIWUOEGSA-N -1 1 577.456 6.073 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000101100215 554587131 /nfs/dbraw/zinc/58/71/31/554587131.db2.gz RVBHOWOBCZWXDF-JBCNATCCSA-N -1 1 523.383 6.133 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000101101523 554638785 /nfs/dbraw/zinc/63/87/85/554638785.db2.gz YAWLTNFDLSPGAU-LFVOPCPISA-N -1 1 511.422 6.055 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101647 554638798 /nfs/dbraw/zinc/63/87/98/554638798.db2.gz WLJIJLIESWJZLD-ZZIWUOEGSA-N -1 1 577.456 6.073 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101647 554638800 /nfs/dbraw/zinc/63/88/00/554638800.db2.gz WLJIJLIESWJZLD-ZZIWUOEGSA-N -1 1 577.456 6.073 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000101101525 554638818 /nfs/dbraw/zinc/63/88/18/554638818.db2.gz YAWLTNFDLSPGAU-WOOAAIBNSA-N -1 1 511.422 6.055 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276797 554703182 /nfs/dbraw/zinc/70/31/82/554703182.db2.gz WWZXNUYCGMYIBV-KXDYMIPJSA-N -1 1 602.709 6.169 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276797 554703183 /nfs/dbraw/zinc/70/31/83/554703183.db2.gz WWZXNUYCGMYIBV-KXDYMIPJSA-N -1 1 602.709 6.169 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000101277583 554703852 /nfs/dbraw/zinc/70/38/52/554703852.db2.gz IJXORONBYHLPQB-JBCNATCCSA-N -1 1 583.460 5.500 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(CC)cc2)nc1C ZINC000101277836 554704089 /nfs/dbraw/zinc/70/40/89/554704089.db2.gz ZAPIVHLAAULHRM-ZHHPLPSFSA-N -1 1 532.618 5.300 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277736 554704255 /nfs/dbraw/zinc/70/42/55/554704255.db2.gz RLGDCJMKYZHUEJ-IIHDFJPDSA-N -1 1 558.656 5.867 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000101278336 554704791 /nfs/dbraw/zinc/70/47/91/554704791.db2.gz GHKBFIIPGICHNS-CIKQMSCWSA-N -1 1 560.628 5.143 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000101278336 554704794 /nfs/dbraw/zinc/70/47/94/554704794.db2.gz GHKBFIIPGICHNS-CIKQMSCWSA-N -1 1 560.628 5.143 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000101278226 554704870 /nfs/dbraw/zinc/70/48/70/554704870.db2.gz LJXBQFNXDZLCPG-SJKYFALESA-N -1 1 551.020 5.397 50 30 KKEAMM COc1ccc(OC)c([C@H]2c3c(=O)[n-]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101289338 554707252 /nfs/dbraw/zinc/70/72/52/554707252.db2.gz KWQTYMTTZILJOC-JOCHJYFZSA-N -1 1 548.621 5.188 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[n-]c(=O)c1[C@@H]2c1ccc(Cl)cc1Cl ZINC000101292560 554709186 /nfs/dbraw/zinc/70/91/86/554709186.db2.gz LXVRVYJDRLGNOV-HXUWFJFHSA-N -1 1 546.907 7.223 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294130 554710684 /nfs/dbraw/zinc/71/06/84/554710684.db2.gz BEGKZYZNDAPAQC-NXLSWJSLSA-N -1 1 500.576 5.951 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294130 554710685 /nfs/dbraw/zinc/71/06/85/554710685.db2.gz BEGKZYZNDAPAQC-NXLSWJSLSA-N -1 1 500.576 5.951 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294254 554710920 /nfs/dbraw/zinc/71/09/20/554710920.db2.gz DQQNPDMITVQYGI-IKZPYDRGSA-N -1 1 554.624 5.819 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294347 554711117 /nfs/dbraw/zinc/71/11/17/554711117.db2.gz VXAAZGPQXPUKCD-CZNAVJSXSA-N -1 1 556.596 5.267 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294347 554711118 /nfs/dbraw/zinc/71/11/18/554711118.db2.gz VXAAZGPQXPUKCD-CZNAVJSXSA-N -1 1 556.596 5.267 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000101299992 554713557 /nfs/dbraw/zinc/71/35/57/554713557.db2.gz RNJUVPRKQGHVQM-UUALVTFQSA-N 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554717328 /nfs/dbraw/zinc/71/73/28/554717328.db2.gz JJASZBMSRDAAFW-HYVCFMKYSA-N -1 1 582.678 6.518 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000101310275 554717403 /nfs/dbraw/zinc/71/74/03/554717403.db2.gz QXKFCTJBIICVGU-JOMJOIQHSA-N -1 1 586.641 6.349 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000101310275 554717406 /nfs/dbraw/zinc/71/74/06/554717406.db2.gz QXKFCTJBIICVGU-JOMJOIQHSA-N -1 1 586.641 6.349 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310285 554717676 /nfs/dbraw/zinc/71/76/76/554717676.db2.gz CUWHZHXKQLWLAE-FLJNSMSWSA-N -1 1 598.677 6.218 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000101310406 554717761 /nfs/dbraw/zinc/71/77/61/554717761.db2.gz CECZCGQCQJNBMF-SLPYKNDMSA-N -1 1 598.677 6.274 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101313480 554721922 /nfs/dbraw/zinc/72/19/22/554721922.db2.gz YUKUISDVRABOED-CJJGVWJISA-N -1 1 526.614 6.058 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000101313739 554722172 /nfs/dbraw/zinc/72/21/72/554722172.db2.gz HJMOHZVMTZWQHJ-HTUFKCTLSA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000101313739 554722173 /nfs/dbraw/zinc/72/21/73/554722173.db2.gz HJMOHZVMTZWQHJ-HTUFKCTLSA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000101313730 554722218 /nfs/dbraw/zinc/72/22/18/554722218.db2.gz YLCDUJXVEBOAGL-UJWLLDLUSA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000101313730 554722220 /nfs/dbraw/zinc/72/22/20/554722220.db2.gz YLCDUJXVEBOAGL-UJWLLDLUSA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000101316817 554723870 /nfs/dbraw/zinc/72/38/70/554723870.db2.gz LREGSNNFTZKAQQ-UUALVTFQSA-N -1 1 613.717 6.101 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000101316866 554724156 /nfs/dbraw/zinc/72/41/56/554724156.db2.gz RUCPSDDNCMCQQJ-CZNAVJSXSA-N -1 1 617.680 5.932 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000101316977 554724388 /nfs/dbraw/zinc/72/43/88/554724388.db2.gz XPIZKVVEMNGGDW-NSOCNUKWSA-N -1 1 615.708 6.484 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC(=O)c4ccccc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000101337930 554734547 /nfs/dbraw/zinc/73/45/47/554734547.db2.gz UHAWFSTZUVECJM-HSZRJFAPSA-N -1 1 578.071 5.958 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000101338289 554734854 /nfs/dbraw/zinc/73/48/54/554734854.db2.gz GAYRNVZLIZHZPE-VWLOTQADSA-N -1 1 610.132 7.503 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000101344554 554736891 /nfs/dbraw/zinc/73/68/91/554736891.db2.gz BGZSBWRRJIJXKQ-OAQYLSRUSA-N -1 1 559.669 6.015 50 30 KKEAMM COc1cccc([C@@H]2c3c(=O)[n-]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000101376319 554746350 /nfs/dbraw/zinc/74/63/50/554746350.db2.gz NASZIKHQRLLJHV-NRFANRHFSA-N -1 1 538.069 5.933 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101376337 554746434 /nfs/dbraw/zinc/74/64/34/554746434.db2.gz JHYDDFFBKPFXJT-QFIPXVFZSA-N -1 1 538.069 5.933 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101376330 554746440 /nfs/dbraw/zinc/74/64/40/554746440.db2.gz CXOAZCIPBACRNH-QFIPXVFZSA-N -1 1 538.069 5.933 50 30 KKEAMM COc1ccc(Nc2nc(N=NCc3ccc(-c4ccccc4C(=O)[O-])o3)nc(NCc3ccco3)n2)cc1 ZINC000101630205 554811704 /nfs/dbraw/zinc/81/17/04/554811704.db2.gz AQPGQSQAYITTLV-MUFRIFMGSA-N -1 1 525.525 5.233 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102076536 554874749 /nfs/dbraw/zinc/87/47/49/554874749.db2.gz AIHTVJDFXIHUJU-WNQPQFFOSA-N -1 1 560.672 6.029 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102076555 554874864 /nfs/dbraw/zinc/87/48/64/554874864.db2.gz AIHTVJDFXIHUJU-AMKIGSDESA-N -1 1 560.672 6.029 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)nc2c(C)c1 ZINC000102076786 554875065 /nfs/dbraw/zinc/87/50/65/554875065.db2.gz HGXYRFXDNVVVOH-SLPYKNDMSA-N -1 1 584.694 6.736 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)ccc1O ZINC000102175781 554892239 /nfs/dbraw/zinc/89/22/39/554892239.db2.gz XPXUFOMOANETTO-AREMUKBSSA-N -1 1 557.628 5.621 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102485555 554938261 /nfs/dbraw/zinc/93/82/61/554938261.db2.gz KMJLJGIWKIUUCZ-QKJBWNOYSA-N -1 1 514.603 5.947 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102486303 554938317 /nfs/dbraw/zinc/93/83/17/554938317.db2.gz CJVFMMABZHQILG-NXLSWJSLSA-N -1 1 540.597 6.047 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102485859 554938342 /nfs/dbraw/zinc/93/83/42/554938342.db2.gz VJHIWKHFLKUEAE-BUANBSPESA-N -1 1 504.564 5.458 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102490382 554939165 /nfs/dbraw/zinc/93/91/65/554939165.db2.gz IFSVEJQOOGPGNA-HOGKFDNTSA-N -1 1 501.520 5.230 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102491561 554939421 /nfs/dbraw/zinc/93/94/21/554939421.db2.gz FPBOBMAAYHODOF-AYWGPLOBSA-N -1 1 504.633 6.506 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102492695 554939668 /nfs/dbraw/zinc/93/96/68/554939668.db2.gz YBQVQYLVYJCDLL-LFVOPCPISA-N -1 1 501.347 5.831 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102495583 554940380 /nfs/dbraw/zinc/94/03/80/554940380.db2.gz NQNRDWHZMWFUQA-NXLSWJSLSA-N -1 1 503.023 7.008 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000102497828 554941349 /nfs/dbraw/zinc/94/13/49/554941349.db2.gz XGBMXZZBMBSLDT-CJJGVWJISA-N -1 1 557.628 5.377 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102510972 554946302 /nfs/dbraw/zinc/94/63/02/554946302.db2.gz BZXXGZRQFHNXQU-NPJIAGGLSA-N -1 1 516.594 6.584 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102516431 554947908 /nfs/dbraw/zinc/94/79/08/554947908.db2.gz WMLMBYQJSGNEJP-MRJHHRETSA-N -1 1 522.604 5.400 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102518434 554949041 /nfs/dbraw/zinc/94/90/41/554949041.db2.gz WMQGRYQVOACUQP-UUALVTFQSA-N -1 1 614.676 5.856 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102518434 554949042 /nfs/dbraw/zinc/94/90/42/554949042.db2.gz WMQGRYQVOACUQP-UUALVTFQSA-N -1 1 614.676 5.856 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102520304 554949390 /nfs/dbraw/zinc/94/93/90/554949390.db2.gz NDZPXKXJGZACOQ-KQAPWQHSSA-N -1 1 542.613 5.725 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102521449 554949581 /nfs/dbraw/zinc/94/95/81/554949581.db2.gz YWAQSWVWZOQZJS-MOBKVPTQSA-N -1 1 506.967 5.593 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102525525 554951875 /nfs/dbraw/zinc/95/18/75/554951875.db2.gz RVXIVDUNPJAPIQ-ZHHPLPSFSA-N -1 1 504.539 5.469 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000102526348 554952104 /nfs/dbraw/zinc/95/21/04/554952104.db2.gz QVRVMMYEBJPTOG-TXTDGAROSA-N -1 1 596.705 6.704 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102527810 554952716 /nfs/dbraw/zinc/95/27/16/554952716.db2.gz XAYIFVDGZWAHQA-IUKMQXEJSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102527810 554952717 /nfs/dbraw/zinc/95/27/17/554952717.db2.gz XAYIFVDGZWAHQA-IUKMQXEJSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102527920 554952741 /nfs/dbraw/zinc/95/27/41/554952741.db2.gz ZLRCSMNYQPKYJS-SBXHHDGASA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102527920 554952742 /nfs/dbraw/zinc/95/27/42/554952742.db2.gz ZLRCSMNYQPKYJS-SBXHHDGASA-N -1 1 516.575 5.339 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102529497 554953386 /nfs/dbraw/zinc/95/33/86/554953386.db2.gz IFVPGPZEVCVFRF-SBXHHDGASA-N -1 1 517.050 7.182 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000102529906 554953395 /nfs/dbraw/zinc/95/33/95/554953395.db2.gz FMXTZSCKNSSJGD-MRJHHRETSA-N -1 1 514.987 5.065 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102529802 554953482 /nfs/dbraw/zinc/95/34/82/554953482.db2.gz JGRLGPOEBKOMGG-AYWGPLOBSA-N -1 1 520.994 5.983 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102537378 554956238 /nfs/dbraw/zinc/95/62/38/554956238.db2.gz HWLHOXCCMSGGLI-HOGKFDNTSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102537378 554956241 /nfs/dbraw/zinc/95/62/41/554956241.db2.gz HWLHOXCCMSGGLI-HOGKFDNTSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102538611 554956587 /nfs/dbraw/zinc/95/65/87/554956587.db2.gz HQZUPFCNRJSYNK-HOGKFDNTSA-N -1 1 520.538 5.088 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000102539008 554956830 /nfs/dbraw/zinc/95/68/30/554956830.db2.gz CLNWWNCDIFPOHU-IUKMQXEJSA-N -1 1 514.603 6.028 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102541758 554957645 /nfs/dbraw/zinc/95/76/45/554957645.db2.gz PZGAFXPWDXNIGL-NXLSWJSLSA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102541758 554957648 /nfs/dbraw/zinc/95/76/48/554957648.db2.gz PZGAFXPWDXNIGL-NXLSWJSLSA-N -1 1 516.575 5.339 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102543405 554958101 /nfs/dbraw/zinc/95/81/01/554958101.db2.gz YLISPRCIUZJYFG-ZHHPLPSFSA-N -1 1 506.530 5.990 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102546678 554959327 /nfs/dbraw/zinc/95/93/27/554959327.db2.gz QMJJHSVWTXLMMS-AIKCTZLLSA-N -1 1 517.006 6.208 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102549163 554960816 /nfs/dbraw/zinc/96/08/16/554960816.db2.gz GBZCFLCEYJTHQB-RFAFYKRUSA-N -1 1 526.614 5.817 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102548972 554960854 /nfs/dbraw/zinc/96/08/54/554960854.db2.gz IPAUEBUFQPGGIC-KYWXLPDZSA-N -1 1 565.420 6.148 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102549677 554961110 /nfs/dbraw/zinc/96/11/10/554961110.db2.gz RIXJNUVAJPSGGL-ZZIWUOEGSA-N -1 1 543.557 5.219 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102549677 554961113 /nfs/dbraw/zinc/96/11/13/554961113.db2.gz RIXJNUVAJPSGGL-ZZIWUOEGSA-N -1 1 543.557 5.219 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102551373 554961864 /nfs/dbraw/zinc/96/18/64/554961864.db2.gz JJQBQLNPHNFHHE-FSISNWKMSA-N -1 1 516.550 5.394 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102551285 554961893 /nfs/dbraw/zinc/96/18/93/554961893.db2.gz SWPJJPNAAMDUMO-ZZIWUOEGSA-N -1 1 533.005 5.964 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102551285 554961896 /nfs/dbraw/zinc/96/18/96/554961896.db2.gz SWPJJPNAAMDUMO-ZZIWUOEGSA-N -1 1 533.005 5.964 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3)sc2c1 ZINC000102552204 554962574 /nfs/dbraw/zinc/96/25/74/554962574.db2.gz SANVYHBHTLXTHM-WBMUNJTESA-N -1 1 512.587 5.645 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)sc2c1 ZINC000102552209 554962592 /nfs/dbraw/zinc/96/25/92/554962592.db2.gz SANVYHBHTLXTHM-FSDXSRJSSA-N -1 1 512.587 5.645 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000102553207 554963084 /nfs/dbraw/zinc/96/30/84/554963084.db2.gz XZEZMCJRVHOXJK-NXLSWJSLSA-N -1 1 532.021 6.014 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102553464 554963128 /nfs/dbraw/zinc/96/31/28/554963128.db2.gz LRFZTOTWTQMKBZ-TUKIDQFVSA-N -1 1 556.640 5.967 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000102553217 554963167 /nfs/dbraw/zinc/96/31/67/554963167.db2.gz XZEZMCJRVHOXJK-SBXHHDGASA-N -1 1 532.021 6.014 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102556190 554964684 /nfs/dbraw/zinc/96/46/84/554964684.db2.gz JMKVPPQREACABT-ZZIWUOEGSA-N -1 1 516.550 5.450 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102556190 554964687 /nfs/dbraw/zinc/96/46/87/554964687.db2.gz JMKVPPQREACABT-ZZIWUOEGSA-N -1 1 516.550 5.450 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102556197 554964761 /nfs/dbraw/zinc/96/47/61/554964761.db2.gz JMKVPPQREACABT-UVDRRRQGSA-N -1 1 516.550 5.450 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102556197 554964763 /nfs/dbraw/zinc/96/47/63/554964763.db2.gz JMKVPPQREACABT-UVDRRRQGSA-N -1 1 516.550 5.450 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102557543 554965234 /nfs/dbraw/zinc/96/52/34/554965234.db2.gz UQZUJGLXYBHBSH-JVJOXMINSA-N -1 1 540.641 6.343 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102559108 554966467 /nfs/dbraw/zinc/96/64/67/554966467.db2.gz QMKNTDDWTQARGV-AFSDHNFUSA-N -1 1 628.747 7.134 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102559115 554966478 /nfs/dbraw/zinc/96/64/78/554966478.db2.gz QMKNTDDWTQARGV-YTOFDDCBSA-N -1 1 628.747 7.134 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102560361 554967670 /nfs/dbraw/zinc/96/76/70/554967670.db2.gz DGHFKCVJCFLMKK-UVQFCUKQSA-N -1 1 584.694 6.660 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102560903 554968052 /nfs/dbraw/zinc/96/80/52/554968052.db2.gz UKMTYTQTZZFOPU-AYWGPLOBSA-N -1 1 518.978 5.656 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102560903 554968053 /nfs/dbraw/zinc/96/80/53/554968053.db2.gz UKMTYTQTZZFOPU-AYWGPLOBSA-N -1 1 518.978 5.656 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102561383 554968252 /nfs/dbraw/zinc/96/82/52/554968252.db2.gz OETAVJMTLHDUOL-AYWGPLOBSA-N -1 1 562.987 5.134 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102563853 554969135 /nfs/dbraw/zinc/96/91/35/554969135.db2.gz UJJAIBSZGCPLFL-ONQGDUAMSA-N -1 1 572.639 5.881 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102563853 554969136 /nfs/dbraw/zinc/96/91/36/554969136.db2.gz UJJAIBSZGCPLFL-ONQGDUAMSA-N -1 1 572.639 5.881 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102563844 554969177 /nfs/dbraw/zinc/96/91/77/554969177.db2.gz UJJAIBSZGCPLFL-UUALVTFQSA-N -1 1 572.639 5.881 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102563844 554969178 /nfs/dbraw/zinc/96/91/78/554969178.db2.gz UJJAIBSZGCPLFL-UUALVTFQSA-N -1 1 572.639 5.881 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000102570542 554970241 /nfs/dbraw/zinc/97/02/41/554970241.db2.gz JVMTWIZMZVBYIA-LHRXRZTBSA-N -1 1 504.589 5.316 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102586924 554973589 /nfs/dbraw/zinc/97/35/89/554973589.db2.gz UWEMSYGHMCMYAO-SBXHHDGASA-N -1 1 548.617 5.231 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000102588428 554973605 /nfs/dbraw/zinc/97/36/05/554973605.db2.gz RZMFZJNXDCJEBC-HOGKFDNTSA-N -1 1 528.439 5.257 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102591970 554974206 /nfs/dbraw/zinc/97/42/06/554974206.db2.gz CSKNSVKEPCQGTQ-ZHHPLPSFSA-N -1 1 578.071 5.881 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102595821 554976791 /nfs/dbraw/zinc/97/67/91/554976791.db2.gz BPUMWOLFMXIFCF-QMMFTLRZSA-N -1 1 614.720 6.826 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102597687 554977183 /nfs/dbraw/zinc/97/71/83/554977183.db2.gz VDVWQKUZTPBCGH-CZNAVJSXSA-N -1 1 603.697 6.490 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000102606078 554978789 /nfs/dbraw/zinc/97/87/89/554978789.db2.gz MDOXMGKFDWYYDC-OWJWWREXSA-N -1 1 535.622 5.140 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000102606415 554979351 /nfs/dbraw/zinc/97/93/51/554979351.db2.gz MGRGHVLODSFFMD-MOBKVPTQSA-N -1 1 528.439 5.257 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000102650739 554995552 /nfs/dbraw/zinc/99/55/52/554995552.db2.gz DKDFIBVSLPAKMF-DFXXOVSGSA-N -1 1 628.703 6.159 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(CC)cc3)sc2c1 ZINC000102650777 554995645 /nfs/dbraw/zinc/99/56/45/554995645.db2.gz JSLAWAMHMXCUGR-CJJGVWJISA-N -1 1 542.613 5.655 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000102650956 554995676 /nfs/dbraw/zinc/99/56/76/554995676.db2.gz XDVKSIDDZUKSEI-AMKIGSDESA-N -1 1 620.152 6.832 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102651336 554995850 /nfs/dbraw/zinc/99/58/50/554995850.db2.gz RHDNGQLAVGJGME-NIOKHIIOSA-N -1 1 541.585 5.771 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102651829 554996215 /nfs/dbraw/zinc/99/62/15/554996215.db2.gz VQNKEPRGKMLWSR-KODPQLEOSA-N -1 1 612.748 7.440 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102652505 554996807 /nfs/dbraw/zinc/99/68/07/554996807.db2.gz XXCKYHABQAHDNN-LQRKZSIOSA-N -1 1 586.666 6.052 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102653668 554997322 /nfs/dbraw/zinc/99/73/22/554997322.db2.gz BOOHOOQDZFWIQN-WKUSSTJHSA-N -1 1 589.113 7.468 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102653668 554997324 /nfs/dbraw/zinc/99/73/24/554997324.db2.gz BOOHOOQDZFWIQN-WKUSSTJHSA-N -1 1 589.113 7.468 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102654779 554997614 /nfs/dbraw/zinc/99/76/14/554997614.db2.gz IFWYFQMLXCWIDV-NPJIAGGLSA-N -1 1 526.570 5.120 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102654587 554997619 /nfs/dbraw/zinc/99/76/19/554997619.db2.gz CFTDZQANBPBEHM-WRPQUVRJSA-N -1 1 500.551 5.694 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000102655232 554998066 /nfs/dbraw/zinc/99/80/66/554998066.db2.gz RSCQKEAXOBTMHN-XLNMUAQOSA-N -1 1 504.514 5.524 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102655868 554998654 /nfs/dbraw/zinc/99/86/54/554998654.db2.gz DGHFKCVJCFLMKK-NMBOLVOSSA-N -1 1 584.694 6.660 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102655866 554998669 /nfs/dbraw/zinc/99/86/69/554998669.db2.gz DGHFKCVJCFLMKK-GVXIODQWSA-N -1 1 584.694 6.660 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102655745 554998693 /nfs/dbraw/zinc/99/86/93/554998693.db2.gz BLYHBIIIFSMMKQ-KNZGKXHUSA-N -1 1 577.456 6.017 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102657904 554999607 /nfs/dbraw/zinc/99/96/07/554999607.db2.gz AVHYVSJRHSXRKN-VZHVMDKCSA-N -1 1 574.630 6.183 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102657904 554999608 /nfs/dbraw/zinc/99/96/08/554999608.db2.gz AVHYVSJRHSXRKN-VZHVMDKCSA-N -1 1 574.630 6.183 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102657569 554999636 /nfs/dbraw/zinc/99/96/36/554999636.db2.gz HVTOXUZYSRLQCF-BBHOXHGRSA-N -1 1 577.634 6.058 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102663144 555000947 /nfs/dbraw/zinc/00/09/47/555000947.db2.gz HIIWMOVEWZBIAO-QNIVJUIWSA-N -1 1 589.670 5.928 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102664302 555001141 /nfs/dbraw/zinc/00/11/41/555001141.db2.gz JVEIDLADPWFWMF-QBTYMPIYSA-N -1 1 558.631 6.564 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102664302 555001142 /nfs/dbraw/zinc/00/11/42/555001142.db2.gz JVEIDLADPWFWMF-QBTYMPIYSA-N -1 1 558.631 6.564 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000102665706 555001675 /nfs/dbraw/zinc/00/16/75/555001675.db2.gz MJECKADPLYITDS-WZLGSTDNSA-N -1 1 504.608 5.662 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102679299 555004739 /nfs/dbraw/zinc/00/47/39/555004739.db2.gz PHIBLTKXJSFJQB-HTUFKCTLSA-N -1 1 542.613 5.653 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102680770 555005277 /nfs/dbraw/zinc/00/52/77/555005277.db2.gz JHQYXTFUCUPEGS-WKUSSTJHSA-N -1 1 609.704 7.072 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102690803 555008157 /nfs/dbraw/zinc/00/81/57/555008157.db2.gz ROWMWAGHLLXMKI-SBXHHDGASA-N -1 1 500.576 5.557 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102690617 555008215 /nfs/dbraw/zinc/00/82/15/555008215.db2.gz KZLZXLWRGFRTRH-UVDRRRQGSA-N -1 1 529.574 5.765 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)c1 ZINC000102691832 555008632 /nfs/dbraw/zinc/00/86/32/555008632.db2.gz TUYFMIFHKNDFTH-UVDRRRQGSA-N -1 1 530.602 5.565 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102691718 555008650 /nfs/dbraw/zinc/00/86/50/555008650.db2.gz RAGBEVMELIGGAJ-NPJIAGGLSA-N -1 1 530.602 5.511 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)c1 ZINC000102691826 555008666 /nfs/dbraw/zinc/00/86/66/555008666.db2.gz TUYFMIFHKNDFTH-ZZIWUOEGSA-N -1 1 530.602 5.565 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2F)cc1C ZINC000102695057 555010333 /nfs/dbraw/zinc/01/03/33/555010333.db2.gz BUJXHJAOWWUHNS-UVDRRRQGSA-N -1 1 502.567 5.996 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102695139 555010596 /nfs/dbraw/zinc/01/05/96/555010596.db2.gz YHUHSVWULODUKF-UVDRRRQGSA-N -1 1 528.586 5.335 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102703999 555013737 /nfs/dbraw/zinc/01/37/37/555013737.db2.gz KUVWYRQWAOOGOS-MOBKVPTQSA-N -1 1 519.420 6.248 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000102705533 555014326 /nfs/dbraw/zinc/01/43/26/555014326.db2.gz BXPWCXLDGWWVNQ-SBXHHDGASA-N -1 1 530.602 5.565 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102706340 555014783 /nfs/dbraw/zinc/01/47/83/555014783.db2.gz WWNUFPQPKPOTPJ-AYWGPLOBSA-N -1 1 504.564 5.485 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000102706522 555015075 /nfs/dbraw/zinc/01/50/75/555015075.db2.gz ZAANQVHICSCWLU-ZZIWUOEGSA-N -1 1 519.022 6.510 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC(C)C)cc2)cc1C ZINC000102707343 555015417 /nfs/dbraw/zinc/01/54/17/555015417.db2.gz UIOFJKRFXBLIFH-CZNAVJSXSA-N -1 1 528.630 6.335 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102714752 555018266 /nfs/dbraw/zinc/01/82/66/555018266.db2.gz QYIOPETXOBDEPW-SBXHHDGASA-N -1 1 519.022 6.537 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102714752 555018268 /nfs/dbraw/zinc/01/82/68/555018268.db2.gz QYIOPETXOBDEPW-SBXHHDGASA-N -1 1 519.022 6.537 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102715257 555018310 /nfs/dbraw/zinc/01/83/10/555018310.db2.gz QRKDZDIQXVURDW-NXLSWJSLSA-N -1 1 528.586 5.280 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102715378 555018534 /nfs/dbraw/zinc/01/85/34/555018534.db2.gz MNCYBFSEIRDCCX-IUKMQXEJSA-N -1 1 500.595 6.748 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102719213 555019676 /nfs/dbraw/zinc/01/96/76/555019676.db2.gz MAVHYCQQGALTDE-ZHHPLPSFSA-N -1 1 515.547 5.402 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102719213 555019679 /nfs/dbraw/zinc/01/96/79/555019679.db2.gz MAVHYCQQGALTDE-ZHHPLPSFSA-N -1 1 515.547 5.402 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102726158 555021862 /nfs/dbraw/zinc/02/18/62/555021862.db2.gz QUQBOCDOFIIELX-CZNAVJSXSA-N -1 1 528.630 6.337 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102728202 555022516 /nfs/dbraw/zinc/02/25/16/555022516.db2.gz LASAKGODSKHIFQ-CZNAVJSXSA-N -1 1 544.629 6.037 50 30 KKEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000102727653 555022586 /nfs/dbraw/zinc/02/25/86/555022586.db2.gz BFLOMYUUSDKEJM-HOGKFDNTSA-N -1 1 535.419 6.002 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000102727653 555022588 /nfs/dbraw/zinc/02/25/88/555022588.db2.gz BFLOMYUUSDKEJM-HOGKFDNTSA-N -1 1 535.419 6.002 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102730042 555023312 /nfs/dbraw/zinc/02/33/12/555023312.db2.gz FELKMXGCFKWLON-NXLSWJSLSA-N -1 1 502.567 6.023 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102730042 555023314 /nfs/dbraw/zinc/02/33/14/555023314.db2.gz FELKMXGCFKWLON-NXLSWJSLSA-N -1 1 502.567 6.023 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102734126 555024594 /nfs/dbraw/zinc/02/45/94/555024594.db2.gz WIUSWSXXNPMSNI-CJJGVWJISA-N -1 1 528.630 6.337 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102734719 555024971 /nfs/dbraw/zinc/02/49/71/555024971.db2.gz BNSGCEHIEWSPIK-HOGKFDNTSA-N -1 1 504.564 5.404 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102734719 555024972 /nfs/dbraw/zinc/02/49/72/555024972.db2.gz BNSGCEHIEWSPIK-HOGKFDNTSA-N -1 1 504.564 5.404 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102735527 555025466 /nfs/dbraw/zinc/02/54/66/555025466.db2.gz QXCQUOWGXDSOLV-WKUSSTJHSA-N -1 1 580.662 6.183 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102735527 555025468 /nfs/dbraw/zinc/02/54/68/555025468.db2.gz QXCQUOWGXDSOLV-WKUSSTJHSA-N -1 1 580.662 6.183 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102735375 555025504 /nfs/dbraw/zinc/02/55/04/555025504.db2.gz SLTVRYFZNNNOIL-AYWGPLOBSA-N -1 1 518.566 5.641 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102735375 555025507 /nfs/dbraw/zinc/02/55/07/555025507.db2.gz SLTVRYFZNNNOIL-AYWGPLOBSA-N -1 1 518.566 5.641 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102735517 555025537 /nfs/dbraw/zinc/02/55/37/555025537.db2.gz QXCQUOWGXDSOLV-XTUFCYCQSA-N -1 1 580.662 6.183 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102735517 555025540 /nfs/dbraw/zinc/02/55/40/555025540.db2.gz QXCQUOWGXDSOLV-XTUFCYCQSA-N -1 1 580.662 6.183 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000102735509 555025546 /nfs/dbraw/zinc/02/55/46/555025546.db2.gz SZBRRYZANGIISY-APJFQNNPSA-N -1 1 602.712 7.442 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102735538 555025795 /nfs/dbraw/zinc/02/57/95/555025795.db2.gz AKWSCRIRFNPPCA-NBXYUPGTSA-N -1 1 588.685 7.133 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000102735575 555025802 /nfs/dbraw/zinc/02/58/02/555025802.db2.gz NZKYDUXURDSEDY-CNVPOXKWSA-N -1 1 588.685 7.655 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736973 555026408 /nfs/dbraw/zinc/02/64/08/555026408.db2.gz TWAIIZIRKRLBJO-KNZGKXHUSA-N -1 1 543.557 5.163 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102737007 555026507 /nfs/dbraw/zinc/02/65/07/555026507.db2.gz QLUGADQCJFSLRD-NIOKHIIOSA-N -1 1 541.585 5.771 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102770971 555059055 /nfs/dbraw/zinc/05/90/55/555059055.db2.gz GVNXIBLUDSRLRG-JLPDLQRYSA-N -1 1 583.735 6.904 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102770971 555059057 /nfs/dbraw/zinc/05/90/57/555059057.db2.gz GVNXIBLUDSRLRG-JLPDLQRYSA-N -1 1 583.735 6.904 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102770977 555059091 /nfs/dbraw/zinc/05/90/91/555059091.db2.gz GVNXIBLUDSRLRG-KXDYMIPJSA-N -1 1 583.735 6.904 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102770977 555059092 /nfs/dbraw/zinc/05/90/92/555059092.db2.gz GVNXIBLUDSRLRG-KXDYMIPJSA-N -1 1 583.735 6.904 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771061 555059477 /nfs/dbraw/zinc/05/94/77/555059477.db2.gz KMCXZOAGTOMQQS-YMCWBSDSSA-N -1 1 537.424 6.553 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000102771103 555059512 /nfs/dbraw/zinc/05/95/12/555059512.db2.gz KSIJWZJCDYZFEB-KYWXLPDZSA-N -1 1 520.969 6.039 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000102771105 555059667 /nfs/dbraw/zinc/05/96/67/555059667.db2.gz KSIJWZJCDYZFEB-FECHNCLXSA-N -1 1 520.969 6.039 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771315 555059999 /nfs/dbraw/zinc/05/99/99/555059999.db2.gz PBDLXELTLIFQJU-HALAOQOWSA-N -1 1 594.089 6.573 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771313 555060022 /nfs/dbraw/zinc/06/00/22/555060022.db2.gz PBDLXELTLIFQJU-AIKCTZLLSA-N -1 1 594.089 6.573 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771278 555060036 /nfs/dbraw/zinc/06/00/36/555060036.db2.gz UHFASTFAGTWKTI-KYWXLPDZSA-N -1 1 520.969 6.039 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102771338 555060420 /nfs/dbraw/zinc/06/04/20/555060420.db2.gz SLNZQTBQQJFPDY-WRPQUVRJSA-N -1 1 527.558 5.463 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3)ccc2O1 ZINC000102771400 555060433 /nfs/dbraw/zinc/06/04/33/555060433.db2.gz VMZQADAWYFPICE-HPASZNQBSA-N -1 1 502.979 5.899 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3)ccc2O1 ZINC000102771400 555060436 /nfs/dbraw/zinc/06/04/36/555060436.db2.gz VMZQADAWYFPICE-HPASZNQBSA-N -1 1 502.979 5.899 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccnc3)ccc2O1 ZINC000102771481 555060553 /nfs/dbraw/zinc/06/05/53/555060553.db2.gz CCBGHMPPSNXIIF-YFFBQLFZSA-N -1 1 503.967 5.294 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102799692 555072437 /nfs/dbraw/zinc/07/24/37/555072437.db2.gz DMIPASDLBXREJG-YDJIHCHBSA-N -1 1 525.026 5.815 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102799692 555072438 /nfs/dbraw/zinc/07/24/38/555072438.db2.gz DMIPASDLBXREJG-YDJIHCHBSA-N -1 1 525.026 5.815 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102858561 555089429 /nfs/dbraw/zinc/08/94/29/555089429.db2.gz YMBNEOINHJREEW-SBXHHDGASA-N -1 1 564.591 5.486 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102859650 555089985 /nfs/dbraw/zinc/08/99/85/555089985.db2.gz QEWZBVJYEAGQHX-NXLSWJSLSA-N -1 1 516.575 5.257 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000102862119 555091994 /nfs/dbraw/zinc/09/19/94/555091994.db2.gz YNXNAERUWKKEIF-SELCWUDQSA-N -1 1 545.386 5.156 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102861617 555092006 /nfs/dbraw/zinc/09/20/06/555092006.db2.gz MDLNDNONNFTVOO-SBXHHDGASA-N -1 1 500.576 5.638 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102863492 555093318 /nfs/dbraw/zinc/09/33/18/555093318.db2.gz IHVUAAVUOFBFDF-HFEWCJDKSA-N -1 1 519.966 6.101 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102863492 555093320 /nfs/dbraw/zinc/09/33/20/555093320.db2.gz IHVUAAVUOFBFDF-HFEWCJDKSA-N -1 1 519.966 6.101 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102864038 555093922 /nfs/dbraw/zinc/09/39/22/555093922.db2.gz ILRGDLKXEMXSOJ-YDJIHCHBSA-N -1 1 508.577 5.010 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102864208 555093986 /nfs/dbraw/zinc/09/39/86/555093986.db2.gz MQVHEJDUCDJWAH-ZHHPLPSFSA-N -1 1 520.563 5.240 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102864828 555094616 /nfs/dbraw/zinc/09/46/16/555094616.db2.gz AMEPQPFNJFOPTN-MRJHHRETSA-N -1 1 529.401 6.530 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102866619 555095962 /nfs/dbraw/zinc/09/59/62/555095962.db2.gz MXNQFRHJFVTNSA-NXLSWJSLSA-N -1 1 532.549 5.232 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102866807 555096059 /nfs/dbraw/zinc/09/60/59/555096059.db2.gz MBUDKLVJUMSIJL-CJJGVWJISA-N -1 1 542.613 5.791 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102867411 555097023 /nfs/dbraw/zinc/09/70/23/555097023.db2.gz GOBMUBCWDWJZOW-PEHBIRLUSA-N -1 1 577.058 6.307 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102869646 555099184 /nfs/dbraw/zinc/09/91/84/555099184.db2.gz WTTCCECBSHTVAU-LQRKZSIOSA-N -1 1 588.657 6.573 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102869646 555099185 /nfs/dbraw/zinc/09/91/85/555099185.db2.gz WTTCCECBSHTVAU-LQRKZSIOSA-N -1 1 588.657 6.573 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102869557 555099190 /nfs/dbraw/zinc/09/91/90/555099190.db2.gz XPCBWLLEHBDHQP-SBXHHDGASA-N -1 1 510.974 5.696 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102869814 555099527 /nfs/dbraw/zinc/09/95/27/555099527.db2.gz WBBIIJQFWQLFFX-AMKIGSDESA-N -1 1 603.697 6.318 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102869809 555099577 /nfs/dbraw/zinc/09/95/77/555099577.db2.gz WBBIIJQFWQLFFX-XVTRYDTASA-N -1 1 603.697 6.318 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102870162 555100091 /nfs/dbraw/zinc/10/00/91/555100091.db2.gz GWFONCWXCNHDAU-SMOAUKQDSA-N -1 1 628.747 7.222 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102872242 555102895 /nfs/dbraw/zinc/10/28/95/555102895.db2.gz XYCLMLKJOOZHBT-RFRSNRLQSA-N -1 1 614.720 6.888 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000102873311 555103799 /nfs/dbraw/zinc/10/37/99/555103799.db2.gz IPTYXWNFCDBMMH-ZHHPLPSFSA-N -1 1 596.042 5.472 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000102875189 555105334 /nfs/dbraw/zinc/10/53/34/555105334.db2.gz YNFCWIWTHXVRDG-YDJIHCHBSA-N -1 1 513.384 5.148 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102876277 555106255 /nfs/dbraw/zinc/10/62/55/555106255.db2.gz DHNGWQFQJIFSJM-OBVHCKHUSA-N -1 1 504.589 5.388 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102876277 555106259 /nfs/dbraw/zinc/10/62/59/555106259.db2.gz DHNGWQFQJIFSJM-OBVHCKHUSA-N -1 1 504.589 5.388 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102877094 555106711 /nfs/dbraw/zinc/10/67/11/555106711.db2.gz SCWVRJULSSSSQR-ZHHPLPSFSA-N -1 1 504.539 5.469 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102878009 555107272 /nfs/dbraw/zinc/10/72/72/555107272.db2.gz RJWQLXKFHFKMKR-NHFXJNLRSA-N -1 1 525.380 5.677 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102878175 555107501 /nfs/dbraw/zinc/10/75/01/555107501.db2.gz XEMXVXVXJSKQCP-MOBKVPTQSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102878175 555107503 /nfs/dbraw/zinc/10/75/03/555107503.db2.gz XEMXVXVXJSKQCP-MOBKVPTQSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102879160 555108450 /nfs/dbraw/zinc/10/84/50/555108450.db2.gz NGVWQUBAOVDDIY-NXLSWJSLSA-N -1 1 546.601 5.265 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102879276 555108479 /nfs/dbraw/zinc/10/84/79/555108479.db2.gz QETZONOYERPLCG-MOBKVPTQSA-N -1 1 569.864 6.737 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102880204 555109341 /nfs/dbraw/zinc/10/93/41/555109341.db2.gz ZJQCJLNECVXKFM-AYWGPLOBSA-N -1 1 567.019 5.610 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102883503 555112079 /nfs/dbraw/zinc/11/20/79/555112079.db2.gz PGAPNRIGGMSGDN-IUKMQXEJSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102883503 555112081 /nfs/dbraw/zinc/11/20/81/555112081.db2.gz PGAPNRIGGMSGDN-IUKMQXEJSA-N -1 1 546.601 5.347 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102883661 555112209 /nfs/dbraw/zinc/11/22/09/555112209.db2.gz GPHGQMFRBNRSMD-APJFQNNPSA-N -1 1 626.775 7.831 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102883822 555112221 /nfs/dbraw/zinc/11/22/21/555112221.db2.gz GKKKHLFDZCVXIK-KODPQLEOSA-N -1 1 612.748 7.296 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102883734 555112288 /nfs/dbraw/zinc/11/22/88/555112288.db2.gz MEORUSPHMAHIQN-HOGKFDNTSA-N -1 1 535.965 5.883 50 30 KKEAMM CCCCCCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000102883688 555112351 /nfs/dbraw/zinc/11/23/51/555112351.db2.gz ZZDSAKVLLFPQPB-QHCPKHFHSA-N -1 1 590.379 8.931 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102883791 555112369 /nfs/dbraw/zinc/11/23/69/555112369.db2.gz ILTCQIDYJRRCQM-ZHHPLPSFSA-N -1 1 520.994 5.902 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102883791 555112372 /nfs/dbraw/zinc/11/23/72/555112372.db2.gz ILTCQIDYJRRCQM-ZHHPLPSFSA-N -1 1 520.994 5.902 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102883962 555112635 /nfs/dbraw/zinc/11/26/35/555112635.db2.gz MHVXHOIJVWPATE-IUKMQXEJSA-N -1 1 530.602 5.647 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102884402 555113154 /nfs/dbraw/zinc/11/31/54/555113154.db2.gz URQDIUNGHVBFOQ-WNQPQFFOSA-N -1 1 526.614 5.953 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102884589 555113751 /nfs/dbraw/zinc/11/37/51/555113751.db2.gz OTYQBVWJKGCCTI-JFTLGNCFSA-N -1 1 530.577 5.784 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102884657 555113762 /nfs/dbraw/zinc/11/37/62/555113762.db2.gz SBUCTQDPQWJYEJ-SMOAUKQDSA-N -1 1 604.684 6.834 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102884584 555113842 /nfs/dbraw/zinc/11/38/42/555113842.db2.gz OTYQBVWJKGCCTI-CGKJMNDRSA-N -1 1 530.577 5.784 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102884835 555114496 /nfs/dbraw/zinc/11/44/96/555114496.db2.gz TZIJMQVEUDOCRO-SBXHHDGASA-N -1 1 559.556 5.001 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102885367 555115521 /nfs/dbraw/zinc/11/55/21/555115521.db2.gz MIVRXKBUTRHKOW-SBXHHDGASA-N -1 1 514.559 5.011 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000102885817 555116099 /nfs/dbraw/zinc/11/60/99/555116099.db2.gz WYDDNMHFRWZNDT-ONQGDUAMSA-N -1 1 510.546 5.587 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000102885817 555116101 /nfs/dbraw/zinc/11/61/01/555116101.db2.gz WYDDNMHFRWZNDT-ONQGDUAMSA-N -1 1 510.546 5.587 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000102886676 555117226 /nfs/dbraw/zinc/11/72/26/555117226.db2.gz CKYDGXHMBNNJFI-HALAOQOWSA-N -1 1 513.575 5.040 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccnc3)sc2c1 ZINC000102886676 555117227 /nfs/dbraw/zinc/11/72/27/555117227.db2.gz CKYDGXHMBNNJFI-HALAOQOWSA-N -1 1 513.575 5.040 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102887139 555118224 /nfs/dbraw/zinc/11/82/24/555118224.db2.gz NYLLOEADLPERFC-XVTRYDTASA-N -1 1 603.697 6.318 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102887093 555118254 /nfs/dbraw/zinc/11/82/54/555118254.db2.gz ZKRIRQQFRGTIJC-CZNAVJSXSA-N -1 1 504.583 5.967 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102887093 555118255 /nfs/dbraw/zinc/11/82/55/555118255.db2.gz ZKRIRQQFRGTIJC-CZNAVJSXSA-N -1 1 504.583 5.967 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102887162 555118453 /nfs/dbraw/zinc/11/84/53/555118453.db2.gz IHNBFGHVAILJJJ-VZHVMDKCSA-N -1 1 602.665 5.671 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102887162 555118457 /nfs/dbraw/zinc/11/84/57/555118457.db2.gz IHNBFGHVAILJJJ-VZHVMDKCSA-N -1 1 602.665 5.671 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102887352 555119193 /nfs/dbraw/zinc/11/91/93/555119193.db2.gz AIDHPMBPRMNHNY-YZUJGMDRSA-N -1 1 614.720 6.832 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102887352 555119196 /nfs/dbraw/zinc/11/91/96/555119196.db2.gz AIDHPMBPRMNHNY-YZUJGMDRSA-N -1 1 614.720 6.832 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102887434 555119229 /nfs/dbraw/zinc/11/92/29/555119229.db2.gz SQBOGJXESIFOPF-TVXPFAQOSA-N -1 1 606.697 5.765 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000102887360 555119255 /nfs/dbraw/zinc/11/92/55/555119255.db2.gz MXSGMNPGGXBBAC-VMFRQMAUSA-N -1 1 629.760 6.578 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102887725 555119840 /nfs/dbraw/zinc/11/98/40/555119840.db2.gz OSUROUUHUGWTRO-ZLYDLHQSSA-N -1 1 602.709 6.313 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102887725 555119842 /nfs/dbraw/zinc/11/98/42/555119842.db2.gz OSUROUUHUGWTRO-ZLYDLHQSSA-N -1 1 602.709 6.313 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102887788 555120118 /nfs/dbraw/zinc/12/01/18/555120118.db2.gz SEEXHYXBJFGPBG-WBMUNJTESA-N -1 1 617.680 5.706 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102888196 555120824 /nfs/dbraw/zinc/12/08/24/555120824.db2.gz OHJHLKFYRIFQFV-FPRSLYQBSA-N -1 1 589.113 7.468 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102888196 555120828 /nfs/dbraw/zinc/12/08/28/555120828.db2.gz OHJHLKFYRIFQFV-FPRSLYQBSA-N -1 1 589.113 7.468 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102888263 555121082 /nfs/dbraw/zinc/12/10/82/555121082.db2.gz FWTOIUXJIIMMQG-XCSSDTEYSA-N -1 1 613.717 5.875 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102888201 555121093 /nfs/dbraw/zinc/12/10/93/555121093.db2.gz OHJHLKFYRIFQFV-XKNZNLGKSA-N -1 1 589.113 7.468 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102888201 555121094 /nfs/dbraw/zinc/12/10/94/555121094.db2.gz OHJHLKFYRIFQFV-XKNZNLGKSA-N -1 1 589.113 7.468 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000102888407 555121518 /nfs/dbraw/zinc/12/15/18/555121518.db2.gz XRNRSNMWIIYLNP-HWTUVFLMSA-N -1 1 621.740 6.942 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccs3)nc2c(C)c1 ZINC000102889015 555122968 /nfs/dbraw/zinc/12/29/68/555122968.db2.gz PZVOQGWTYHJBHZ-HFEWCJDKSA-N -1 1 504.589 5.372 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102889387 555123602 /nfs/dbraw/zinc/12/36/02/555123602.db2.gz TXISKOCCAGBZAZ-HVESIFNPSA-N -1 1 503.363 5.171 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(C)cc2)s1 ZINC000102889470 555123801 /nfs/dbraw/zinc/12/38/01/555123801.db2.gz MAJBNTLMXCCAFL-IUKMQXEJSA-N -1 1 511.603 5.669 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(C)cc2)s1 ZINC000102889470 555123805 /nfs/dbraw/zinc/12/38/05/555123805.db2.gz MAJBNTLMXCCAFL-IUKMQXEJSA-N -1 1 511.603 5.669 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102889932 555124405 /nfs/dbraw/zinc/12/44/05/555124405.db2.gz WHZKVPIMTSBJRT-HOGKFDNTSA-N -1 1 573.841 6.654 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102890123 555125050 /nfs/dbraw/zinc/12/50/50/555125050.db2.gz WVUJLQSISKMJIO-XTUFCYCQSA-N -1 1 568.695 6.942 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102890204 555125218 /nfs/dbraw/zinc/12/52/18/555125218.db2.gz FSTCOWDZGYXJGX-MOBKVPTQSA-N -1 1 553.865 6.901 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102890418 555125545 /nfs/dbraw/zinc/12/55/45/555125545.db2.gz AYNPCPBFCQURER-AZIATFRCSA-N -1 1 626.775 7.686 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102890349 555125629 /nfs/dbraw/zinc/12/56/29/555125629.db2.gz DSHCOBGEDNIMMA-SBXHHDGASA-N -1 1 593.455 5.855 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102890614 555125901 /nfs/dbraw/zinc/12/59/01/555125901.db2.gz LNNUCCRRMHOXRE-AYWGPLOBSA-N -1 1 520.632 5.954 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102890614 555125904 /nfs/dbraw/zinc/12/59/04/555125904.db2.gz LNNUCCRRMHOXRE-AYWGPLOBSA-N -1 1 520.632 5.954 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102890776 555126174 /nfs/dbraw/zinc/12/61/74/555126174.db2.gz MWKCKCAFSYPJDM-CJJGVWJISA-N -1 1 528.630 6.201 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102891275 555126838 /nfs/dbraw/zinc/12/68/38/555126838.db2.gz WHNOHZHOTSMXOM-IUKMQXEJSA-N -1 1 506.555 5.196 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102891645 555127396 /nfs/dbraw/zinc/12/73/96/555127396.db2.gz KNSZFCXTNBZHRW-HTUFKCTLSA-N -1 1 542.613 5.659 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccnc3)s2)cc1 ZINC000102891596 555127430 /nfs/dbraw/zinc/12/74/30/555127430.db2.gz DRKSCGZGPALDEJ-MRJHHRETSA-N -1 1 500.605 5.160 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102891639 555127485 /nfs/dbraw/zinc/12/74/85/555127485.db2.gz KNSZFCXTNBZHRW-UJWLLDLUSA-N -1 1 542.613 5.659 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102891710 555127777 /nfs/dbraw/zinc/12/77/77/555127777.db2.gz DCFSFZCUCLAPKV-CJJGVWJISA-N -1 1 558.612 5.491 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102891710 555127778 /nfs/dbraw/zinc/12/77/78/555127778.db2.gz DCFSFZCUCLAPKV-CJJGVWJISA-N -1 1 558.612 5.491 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102892337 555128390 /nfs/dbraw/zinc/12/83/90/555128390.db2.gz URNKHSBUPCXBEN-AIKCTZLLSA-N -1 1 532.618 5.393 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102892457 555128690 /nfs/dbraw/zinc/12/86/90/555128690.db2.gz RFWLPLWKLGRLBS-YDJIHCHBSA-N -1 1 508.571 5.301 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102892457 555128691 /nfs/dbraw/zinc/12/86/91/555128691.db2.gz RFWLPLWKLGRLBS-YDJIHCHBSA-N -1 1 508.571 5.301 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102892871 555129366 /nfs/dbraw/zinc/12/93/66/555129366.db2.gz VNCGHDCBSOLKHM-VEZPTTSMSA-N -1 1 606.656 6.281 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102892871 555129368 /nfs/dbraw/zinc/12/93/68/555129368.db2.gz VNCGHDCBSOLKHM-VEZPTTSMSA-N -1 1 606.656 6.281 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893075 555129806 /nfs/dbraw/zinc/12/98/06/555129806.db2.gz BWVTXOGCSXPRPL-PDZZUNKHSA-N -1 1 586.666 6.052 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893075 555129809 /nfs/dbraw/zinc/12/98/09/555129809.db2.gz BWVTXOGCSXPRPL-PDZZUNKHSA-N -1 1 586.666 6.052 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102893108 555129933 /nfs/dbraw/zinc/12/99/33/555129933.db2.gz QPJQNKNTCAZHCV-QNIVJUIWSA-N -1 1 617.680 5.706 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102893109 555129968 /nfs/dbraw/zinc/12/99/68/555129968.db2.gz QPJQNKNTCAZHCV-WBMUNJTESA-N -1 1 617.680 5.706 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102893196 555130242 /nfs/dbraw/zinc/13/02/42/555130242.db2.gz POTISKLPGDLMIO-IZSGBISHSA-N -1 1 624.715 6.582 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102893196 555130243 /nfs/dbraw/zinc/13/02/43/555130243.db2.gz POTISKLPGDLMIO-IZSGBISHSA-N -1 1 624.715 6.582 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102893856 555131664 /nfs/dbraw/zinc/13/16/64/555131664.db2.gz STVMCHPBRPUFIE-SBXHHDGASA-N -1 1 563.473 6.646 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102893856 555131667 /nfs/dbraw/zinc/13/16/67/555131667.db2.gz STVMCHPBRPUFIE-SBXHHDGASA-N -1 1 563.473 6.646 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102894453 555132434 /nfs/dbraw/zinc/13/24/34/555132434.db2.gz QOOPQULXEIRCJI-LQRKZSIOSA-N -1 1 605.112 7.087 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102894453 555132437 /nfs/dbraw/zinc/13/24/37/555132437.db2.gz QOOPQULXEIRCJI-LQRKZSIOSA-N -1 1 605.112 7.087 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894471 555132507 /nfs/dbraw/zinc/13/25/07/555132507.db2.gz AZTXZJNFHMQUIO-HTUFKCTLSA-N -1 1 561.059 6.688 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894471 555132509 /nfs/dbraw/zinc/13/25/09/555132509.db2.gz AZTXZJNFHMQUIO-HTUFKCTLSA-N -1 1 561.059 6.688 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102895305 555134094 /nfs/dbraw/zinc/13/40/94/555134094.db2.gz LXDGEFHFEZQFJQ-NPJIAGGLSA-N -1 1 530.602 5.511 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102895737 555135290 /nfs/dbraw/zinc/13/52/90/555135290.db2.gz DLXDGKNWRPSBQC-CZNAVJSXSA-N -1 1 558.612 5.491 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102895737 555135292 /nfs/dbraw/zinc/13/52/92/555135292.db2.gz DLXDGKNWRPSBQC-CZNAVJSXSA-N -1 1 558.612 5.491 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102895925 555135449 /nfs/dbraw/zinc/13/54/49/555135449.db2.gz YUOJAGQCIDNURX-VGZNNGDKSA-N -1 1 598.721 7.132 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102895929 555135494 /nfs/dbraw/zinc/13/54/94/555135494.db2.gz YUOJAGQCIDNURX-UZGIXAGNSA-N -1 1 598.721 7.132 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000102896370 555136331 /nfs/dbraw/zinc/13/63/31/555136331.db2.gz GDMNMSWSHAUXTE-LLAWDOGUSA-N -1 1 556.640 6.043 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102897190 555137609 /nfs/dbraw/zinc/13/76/09/555137609.db2.gz MMWRZLYIGBJROA-RFAFYKRUSA-N -1 1 542.613 5.653 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102897193 555137626 /nfs/dbraw/zinc/13/76/26/555137626.db2.gz MMWRZLYIGBJROA-HTUFKCTLSA-N -1 1 542.613 5.653 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102897332 555137672 /nfs/dbraw/zinc/13/76/72/555137672.db2.gz TYECLEMJVXTJNA-NPJIAGGLSA-N -1 1 514.603 5.892 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102899733 555139398 /nfs/dbraw/zinc/13/93/98/555139398.db2.gz MONFEMFFBKCPMI-YSJQHINGSA-N -1 1 628.747 7.222 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102899733 555139399 /nfs/dbraw/zinc/13/93/99/555139399.db2.gz MONFEMFFBKCPMI-YSJQHINGSA-N -1 1 628.747 7.222 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102924855 555148922 /nfs/dbraw/zinc/14/89/22/555148922.db2.gz AEAFWBKWOPEMAN-MRJHHRETSA-N -1 1 505.508 5.131 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102924899 555149148 /nfs/dbraw/zinc/14/91/48/555149148.db2.gz NQDQTGWJSDFPSV-HOGKFDNTSA-N -1 1 553.409 6.223 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102926123 555150295 /nfs/dbraw/zinc/15/02/95/555150295.db2.gz IAEGKQNLYNUREC-ZHHPLPSFSA-N -1 1 536.631 5.790 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102928069 555153164 /nfs/dbraw/zinc/15/31/64/555153164.db2.gz RALBTBBYGJFSEQ-JBCNATCCSA-N -1 1 508.577 5.010 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000102929501 555155275 /nfs/dbraw/zinc/15/52/75/555155275.db2.gz PFKLJEKUFRRYAV-WOOAAIBNSA-N -1 1 514.719 5.032 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102929543 555155302 /nfs/dbraw/zinc/15/53/02/555155302.db2.gz QCVLSBZHYNOTOQ-SBXHHDGASA-N -1 1 502.567 6.194 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@H]2c2cccc(Cl)c2)s1 ZINC000102930829 555158004 /nfs/dbraw/zinc/15/80/04/555158004.db2.gz JQASGVCHFAMTIU-SBXHHDGASA-N -1 1 532.021 6.014 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102931491 555159246 /nfs/dbraw/zinc/15/92/46/555159246.db2.gz IZUQYWHESBHWDM-CZNAVJSXSA-N -1 1 603.096 6.795 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000102937659 555165728 /nfs/dbraw/zinc/16/57/28/555165728.db2.gz DLNQMQIWCHMUFB-RUZDIDTESA-N -1 1 621.649 5.080 50 30 KKEAMM Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1O)C(=CNCCCN1CCOCC1)C(=O)C(=O)C3C(C)C)C(=CNCCCN1CCOCC1)C(=O)C(=O)C2C(C)C ZINC000150346004 562843211 /nfs/dbraw/zinc/84/32/11/562843211.db2.gz GBBGYMDPZSCBLJ-PUHRYQSPSA-N -1 1 770.968 5.703 50 30 biogenic KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000100735753 571361151 /nfs/dbraw/zinc/36/11/51/571361151.db2.gz FGAKELFPMCSZEV-HSZRJFAPSA-N -1 1 566.632 5.135 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000103928936 571370137 /nfs/dbraw/zinc/37/01/37/571370137.db2.gz ZPBGISYAMUSIJQ-YDJIHCHBSA-N -1 1 571.449 5.334 50 30 KKEAMM Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1O)C(=CNc1cccc(C(F)(F)F)c1)C(=O)C(=O)C3C(C)C)C(=CNc1cccc(C(F)(F)F)c1)C(=O)C(=O)C2C(C)C ZINC000150349572 571461540 /nfs/dbraw/zinc/46/15/40/571461540.db2.gz GHELLSJQQXPCOS-LZUTUTKMSA-N -1 1 804.784 11.341 50 30 biogenic KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150387090 571469775 /nfs/dbraw/zinc/46/97/75/571469775.db2.gz WQMWNXHUUDIZBP-DFXXOVSGSA-N -1 1 663.749 6.555 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000150391958 571474288 /nfs/dbraw/zinc/47/42/88/571474288.db2.gz DLKSEEIAABETHR-CZNAVJSXSA-N -1 1 647.547 6.904 50 30 KKEAMM CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)[O-])cc1NC(=O)c1cc(Sc2nnnn2-c2ccccc2)c2ccccc2c1O ZINC000150392533 571474564 /nfs/dbraw/zinc/47/45/64/571474564.db2.gz IEFFVILQTIBANA-UHFFFAOYSA-N -1 1 751.994 11.263 50 30 KKEAMM Cc1nc(-c2ccccc2)sc1C(=O)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccc(F)cc1 ZINC000150404460 571479076 /nfs/dbraw/zinc/47/90/76/571479076.db2.gz GTTUEWUXBJEJFL-MHZLTWQESA-N -1 1 650.782 8.338 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000150414020 571484942 /nfs/dbraw/zinc/48/49/42/571484942.db2.gz PYXGHWHTBGYKHT-YTTGMZPUSA-N -1 1 659.764 9.006 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150417769 571486321 /nfs/dbraw/zinc/48/63/21/571486321.db2.gz GJHYBIOBKMKZGX-UUALVTFQSA-N -1 1 700.622 7.332 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000150422198 571488065 /nfs/dbraw/zinc/48/80/65/571488065.db2.gz ATQWIISOWXZCHV-JHRPXHEESA-N -1 1 699.810 7.960 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000150422213 571488204 /nfs/dbraw/zinc/48/82/04/571488204.db2.gz ZFEYBRVWBRBPHQ-QMMFTLRZSA-N -1 1 684.195 7.460 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000150424582 571489156 /nfs/dbraw/zinc/48/91/56/571489156.db2.gz XJUWVZQRZBIWQF-RIEKNRFYSA-N -1 1 689.831 7.743 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000150424594 571489324 /nfs/dbraw/zinc/48/93/24/571489324.db2.gz XJUWVZQRZBIWQF-NNZNMFTDSA-N -1 1 689.831 7.743 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150426649 571490883 /nfs/dbraw/zinc/49/08/83/571490883.db2.gz MWQIIKDOJYSFOA-HWTUVFLMSA-N -1 1 649.750 6.720 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150426560 571490929 /nfs/dbraw/zinc/49/09/29/571490929.db2.gz FACPDLLUUXPGRE-SBXHHDGASA-N -1 1 670.552 6.321 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000150426808 571491069 /nfs/dbraw/zinc/49/10/69/571491069.db2.gz UECPOOLZHDSPEC-NXLSWJSLSA-N -1 1 636.107 5.668 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000150426791 571491104 /nfs/dbraw/zinc/49/11/04/571491104.db2.gz GOCQOEBYHGTZJY-FSDXSRJSSA-N -1 1 634.135 6.220 50 30 KKEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1cccc(Br)c1 ZINC000150432979 571494435 /nfs/dbraw/zinc/49/44/35/571494435.db2.gz IAJQWDXUZBIWKP-HXUWFJFHSA-N -1 1 616.427 5.023 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)nc1C ZINC000150434361 571494895 /nfs/dbraw/zinc/49/48/95/571494895.db2.gz AYVFXOCAIZPHDO-GDLZYMKVSA-N -1 1 648.778 7.190 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000150435628 571495530 /nfs/dbraw/zinc/49/55/30/571495530.db2.gz RWRGISZWCFFKKW-HTDBSKDNSA-N -1 1 632.738 7.532 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000150435598 571495594 /nfs/dbraw/zinc/49/55/94/571495594.db2.gz PMSLSEYZZZLOFU-KVKFUISSSA-N -1 1 741.891 8.911 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435646 571495717 /nfs/dbraw/zinc/49/57/17/571495717.db2.gz IZMFDJIOYIIQEF-LCWNDPLPSA-N -1 1 653.156 7.877 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435646 571495719 /nfs/dbraw/zinc/49/57/19/571495719.db2.gz IZMFDJIOYIIQEF-LCWNDPLPSA-N -1 1 653.156 7.877 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000150435681 571495890 /nfs/dbraw/zinc/49/58/90/571495890.db2.gz HVHKVIAFIOCFPO-GXKLCEICSA-N -1 1 648.737 7.232 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000150439902 571497482 /nfs/dbraw/zinc/49/74/82/571497482.db2.gz VYFRXGUGTUNNRV-HTDBSKDNSA-N -1 1 726.276 8.411 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445219 571500168 /nfs/dbraw/zinc/50/01/68/571500168.db2.gz CIXDOCCDZHMTLZ-DDLSXHCZSA-N -1 1 654.741 6.556 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445219 571500169 /nfs/dbraw/zinc/50/01/69/571500169.db2.gz CIXDOCCDZHMTLZ-DDLSXHCZSA-N -1 1 654.741 6.556 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150445300 571500389 /nfs/dbraw/zinc/50/03/89/571500389.db2.gz DUCWJVUCEVKFER-UUALVTFQSA-N -1 1 636.723 5.849 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150445731 571500727 /nfs/dbraw/zinc/50/07/27/571500727.db2.gz QXFMDUZJAZNDKG-VMFRQMAUSA-N -1 1 631.751 7.098 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150453784 571503756 /nfs/dbraw/zinc/50/37/56/571503756.db2.gz PFKKDRXKPJAABF-LXIOPLLASA-N -1 1 637.508 6.121 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150454006 571503807 /nfs/dbraw/zinc/50/38/07/571503807.db2.gz HISKGDICXHCIRS-CDXXWDJZSA-N -1 1 697.838 8.512 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453849 571503824 /nfs/dbraw/zinc/50/38/24/571503824.db2.gz GKIJUJGYQGTAPL-KFLIVHAJSA-N -1 1 650.709 6.680 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000150454310 571503954 /nfs/dbraw/zinc/50/39/54/571503954.db2.gz JRFQFQHCIMIROV-UUALVTFQSA-N -1 1 634.707 5.769 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000150454310 571503955 /nfs/dbraw/zinc/50/39/55/571503955.db2.gz JRFQFQHCIMIROV-UUALVTFQSA-N -1 1 634.707 5.769 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457083 571504779 /nfs/dbraw/zinc/50/47/79/571504779.db2.gz LWZQMYQLJRPHKJ-QMDVFYPZSA-N -1 1 659.761 6.883 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457703 571505048 /nfs/dbraw/zinc/50/50/48/571505048.db2.gz MKHIVYJSBDUFCO-DDLSXHCZSA-N -1 1 692.259 8.011 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457969 571505246 /nfs/dbraw/zinc/50/52/46/571505246.db2.gz LCLFXFGTOJEZFG-QJGFIUGVSA-N -1 1 643.787 6.968 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150458707 571505484 /nfs/dbraw/zinc/50/54/84/571505484.db2.gz CSMVLPGZCSFUOR-GSYBUTJLSA-N -1 1 655.798 7.052 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000150458122 571505527 /nfs/dbraw/zinc/50/55/27/571505527.db2.gz HXNLTSRGMGIPIT-ZCCBWQDPSA-N -1 1 661.805 7.668 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150459434 571505675 /nfs/dbraw/zinc/50/56/75/571505675.db2.gz MGBFBEXJEZOLBN-RJIUIVJKSA-N -1 1 672.759 8.100 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150460302 571505900 /nfs/dbraw/zinc/50/59/00/571505900.db2.gz PSQUSMYICFTOTI-DDLSXHCZSA-N -1 1 692.259 8.011 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150460652 571506030 /nfs/dbraw/zinc/50/60/30/571506030.db2.gz LXHVFFQYHQIHKY-PSXXPYPYSA-N -1 1 707.874 8.511 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000150460629 571506049 /nfs/dbraw/zinc/50/60/49/571506049.db2.gz JKLBPGVAZJASOH-TVKWNQJWSA-N -1 1 641.815 7.513 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000150460509 571506220 /nfs/dbraw/zinc/50/62/20/571506220.db2.gz XUHBUAZGIZRTQC-WTPDXTQDSA-N -1 1 627.900 6.376 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150462865 571506724 /nfs/dbraw/zinc/50/67/24/571506724.db2.gz ZVYZBUBZZSZXNM-DDLSXHCZSA-N -1 1 675.804 7.497 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150463180 571506885 /nfs/dbraw/zinc/50/68/85/571506885.db2.gz IJVXLJJBEOTLQE-DNNDWWBDSA-N -1 1 645.778 7.344 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150463877 571507565 /nfs/dbraw/zinc/50/75/65/571507565.db2.gz GHIQIZFTIAXKMO-ICQXDZJJSA-N -1 1 657.814 7.358 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150467451 571508049 /nfs/dbraw/zinc/50/80/49/571508049.db2.gz ALDPAEAXLISTFZ-TXTDGAROSA-N -1 1 643.743 6.191 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150469469 571508560 /nfs/dbraw/zinc/50/85/60/571508560.db2.gz UZYONSMJFVBLET-QMMFTLRZSA-N -1 1 708.258 7.849 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150469600 571508834 /nfs/dbraw/zinc/50/88/34/571508834.db2.gz ZOWUBCWHELYFQW-QBTYMPIYSA-N -1 1 652.625 8.210 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150469600 571508837 /nfs/dbraw/zinc/50/88/37/571508837.db2.gz ZOWUBCWHELYFQW-QBTYMPIYSA-N -1 1 652.625 8.210 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150470493 571509306 /nfs/dbraw/zinc/50/93/06/571509306.db2.gz SHOWNIFECWAEIA-DFXXOVSGSA-N -1 1 664.205 7.450 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150470493 571509309 /nfs/dbraw/zinc/50/93/09/571509309.db2.gz SHOWNIFECWAEIA-DFXXOVSGSA-N -1 1 664.205 7.450 50 30 KKEAMM Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1O)C(=CN[C@H](C)c1ccccc1)C(=O)C(=O)C3C(C)C)C(=CN[C@H](C)c1ccccc1)C(=O)C(=O)C2C(C)C ZINC000150473904 571510361 /nfs/dbraw/zinc/51/03/61/571510361.db2.gz QZMZXIWBPGRBOD-OTGXODOQSA-N -1 1 724.898 9.781 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150473617 571510390 /nfs/dbraw/zinc/51/03/90/571510390.db2.gz FCQKMIILEQPXIK-WGGXKBPPSA-N -1 1 694.231 7.459 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150475834 571510859 /nfs/dbraw/zinc/51/08/59/571510859.db2.gz LAOGLNRQSDBICE-YSJQHINGSA-N -1 1 740.731 9.055 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150475837 571510877 /nfs/dbraw/zinc/51/08/77/571510877.db2.gz LAOGLNRQSDBICE-SMOAUKQDSA-N -1 1 740.731 9.055 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150476588 571511038 /nfs/dbraw/zinc/51/10/38/571511038.db2.gz VUPPKRKZTNDVJT-KFLIVHAJSA-N -1 1 679.820 7.806 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150482910 571513679 /nfs/dbraw/zinc/51/36/79/571513679.db2.gz XRYRFNCECYHCES-DFXXOVSGSA-N -1 1 647.750 6.792 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150485494 571515865 /nfs/dbraw/zinc/51/58/65/571515865.db2.gz VULMHLJPDSBQAW-PMERELPUSA-N -1 1 690.872 8.987 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150486365 571516418 /nfs/dbraw/zinc/51/64/18/571516418.db2.gz WGGTVAGDGFMINY-YZUJGMDRSA-N -1 1 726.704 8.665 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150486757 571516568 /nfs/dbraw/zinc/51/65/68/571516568.db2.gz OFJQFMSNVJIRTN-LOTNQUKISA-N -1 1 716.668 8.666 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCCC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000227069097 572149085 /nfs/dbraw/zinc/14/90/85/572149085.db2.gz XSNYUNULXNPZAW-DCMFLLSESA-N -1 1 556.703 7.266 50 30 KKEAMM COc1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c(Br)c(Br)c1[O-] ZINC000252606998 572267975 /nfs/dbraw/zinc/26/79/75/572267975.db2.gz GXHRZGPZEQZYCF-JINVPOKMSA-N -1 1 566.315 6.863 50 30 KKEAMM O=C1/C(=C/c2cc(Br)cc(Br)c2[O-])CC/C1=C/c1cc(Br)cc(Br)c1O ZINC000102944842 1070981775 /nfs/dbraw/zinc/98/17/75/1070981775.db2.gz KNTODSPKTQNBLZ-INWPEIIHSA-N -1 1 607.918 6.978 50 30 KKEAMM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)[n-]n1C(C)C)[C@H]2c1cc(OC)c(OC)cc1OC ZINC000824567487 1071283096 /nfs/dbraw/zinc/28/30/96/1071283096.db2.gz UWQLVRCDLIYZLB-QIDSIIOFSA-N -1 1 640.089 5.301 50 30 KKEAMM CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)cc1 ZINC000217699962 1071291971 /nfs/dbraw/zinc/29/19/71/1071291971.db2.gz UDGUYCSKTMTGQH-HSZRJFAPSA-N -1 1 558.627 7.060 50 30 biogenic KKEAMM CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)cc1 ZINC000217699892 1071292001 /nfs/dbraw/zinc/29/20/01/1071292001.db2.gz UDGUYCSKTMTGQH-QHCPKHFHSA-N -1 1 558.627 7.060 50 30 biogenic KKEAMM COc1ccc(-c2nn(-c3ccccc3)cc2CN=Nc2ccc(S(=O)(=O)Nc3ccccc3C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000254292393 1072844324 /nfs/dbraw/zinc/84/43/24/1072844324.db2.gz KCCVWCRHLHEVTA-UHFFFAOYSA-N -1 1 612.624 5.401 50 30 KKEAMM Cc1ccc([N-]S(=O)(=O)c2ccc(N=NC3C[C@@H](c4ccccc4)Oc4ccccc43)c([N+](=O)[O-])c2)c(C)c1 ZINC000254836751 1072883126 /nfs/dbraw/zinc/88/31/26/1072883126.db2.gz MTOPAWNDVPUHMM-LJAQVGFWSA-N -1 1 542.617 6.352 50 30 KKEAMM O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000254840721 1072883551 /nfs/dbraw/zinc/88/35/51/1072883551.db2.gz GRFDMJSLPLGYNR-UHFFFAOYSA-N -1 1 615.431 6.113 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000000631224 551505025 /nfs/dbraw/zinc/50/50/25/551505025.db2.gz JOANBNJPZGGBRV-LJQANCHMSA-N -1 1 541.423 5.482 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000000703153 551530686 /nfs/dbraw/zinc/53/06/86/551530686.db2.gz PKKBJFNAWUWTRH-AREMUKBSSA-N -1 1 553.596 5.963 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000000703135 551530711 /nfs/dbraw/zinc/53/07/11/551530711.db2.gz GFKZPNOOJOEKCJ-RUZDIDTESA-N -1 1 510.571 6.533 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[n-]c(=O)c1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000000959795 551589995 /nfs/dbraw/zinc/58/99/95/551589995.db2.gz YKJFEXQEFNAQKA-HXUWFJFHSA-N -1 1 523.014 6.237 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000001103843 551609441 /nfs/dbraw/zinc/60/94/41/551609441.db2.gz HTVXAUMAKQLUOP-MUUNZHRXSA-N -1 1 540.572 5.752 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243211 551631233 /nfs/dbraw/zinc/63/12/33/551631233.db2.gz QTLMVTVGDJFWIA-WHLCRQNOSA-N -1 1 530.602 5.300 50 30 KKEAMM Cc1ccc(NC(=O)c2[n-]cnc2N=C2SC[C@@](O)(c3ccccc3Cl)N2c2ccccc2)cc1 ZINC000001414257 551666392 /nfs/dbraw/zinc/66/63/92/551666392.db2.gz FSSLTXVHZDCHSK-NNCLDMFXSA-N -1 1 504.015 5.710 50 30 KKEAMM Cc1ccc(NC(=O)c2nc[n-]c2N=C2SC[C@@](O)(c3ccccc3Cl)N2c2ccccc2)cc1 ZINC000001414257 551666394 /nfs/dbraw/zinc/66/63/94/551666394.db2.gz FSSLTXVHZDCHSK-NNCLDMFXSA-N -1 1 504.015 5.710 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001446815 551674222 /nfs/dbraw/zinc/67/42/22/551674222.db2.gz OAKSJWYHEBMJLY-OAQYLSRUSA-N -1 1 524.526 5.146 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000001450355 551675299 /nfs/dbraw/zinc/67/52/99/551675299.db2.gz UTSRKLBGGPCTKR-XMMPIXPASA-N -1 1 528.586 5.491 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000001451059 551675545 /nfs/dbraw/zinc/67/55/45/551675545.db2.gz ROSLLASECVFJCB-DEOSSOPVSA-N -1 1 500.576 5.795 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000001451435 551676005 /nfs/dbraw/zinc/67/60/05/551676005.db2.gz JRUDHPHKGXFBGV-OAQYLSRUSA-N -1 1 523.408 6.306 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000001451422 551676032 /nfs/dbraw/zinc/67/60/32/551676032.db2.gz RLOXKQHPWLZZQO-SANMLTNESA-N -1 1 574.655 6.039 50 30 KKEAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001457450 551677049 /nfs/dbraw/zinc/67/70/49/551677049.db2.gz NAJLOJRYHLGAOI-FWUCURJTSA-N -1 1 538.600 5.547 50 30 KKEAMM COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457453 551677083 /nfs/dbraw/zinc/67/70/83/551677083.db2.gz ZXKSBUMYDADIME-GRMGDBHTSA-N -1 1 582.697 6.767 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000001458637 551677328 /nfs/dbraw/zinc/67/73/28/551677328.db2.gz JXDWEGODUOLYIB-SFHVURJKSA-N -1 1 527.396 5.174 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001480646 551681462 /nfs/dbraw/zinc/68/14/62/551681462.db2.gz SIJJJBUKUMOQFL-RUZDIDTESA-N -1 1 560.628 5.730 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480821 551681891 /nfs/dbraw/zinc/68/18/91/551681891.db2.gz ASWQAJODNHYRLG-HSZRJFAPSA-N -1 1 550.589 5.405 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001482268 551682615 /nfs/dbraw/zinc/68/26/15/551682615.db2.gz HIMSTRUEUSMNJW-RUZDIDTESA-N -1 1 560.628 5.812 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001481488 551682633 /nfs/dbraw/zinc/68/26/33/551682633.db2.gz OJQZXMUBCWLYEN-JOCHJYFZSA-N -1 1 554.983 5.898 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000001481484 551682683 /nfs/dbraw/zinc/68/26/83/551682683.db2.gz VLOFNAVWLWNJML-OAQYLSRUSA-N -1 1 524.957 5.889 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482303 551682980 /nfs/dbraw/zinc/68/29/80/551682980.db2.gz AUPDCIBSLMIYDZ-HSZRJFAPSA-N -1 1 534.565 5.553 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482303 551682982 /nfs/dbraw/zinc/68/29/82/551682982.db2.gz AUPDCIBSLMIYDZ-HSZRJFAPSA-N -1 1 534.565 5.553 50 30 KKEAMM CN(C)c1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002719437 552163640 /nfs/dbraw/zinc/16/36/40/552163640.db2.gz YJVZYFARONZPDH-QFIPXVFZSA-N -1 1 531.638 5.649 50 30 KKEAMM CCOc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002719429 552163645 /nfs/dbraw/zinc/16/36/45/552163645.db2.gz UGSHBRKKSWDAGB-QFIPXVFZSA-N -1 1 532.622 5.982 50 30 KKEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000002719486 552163956 /nfs/dbraw/zinc/16/39/56/552163956.db2.gz SXROXWKIBZDGTO-JOCHJYFZSA-N -1 1 568.095 6.354 50 30 KKEAMM [O-]c1c(I)cccc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000003084995 552286110 /nfs/dbraw/zinc/28/61/10/552286110.db2.gz AYSPZHFYXOQPCX-FOKLQQMPSA-N -1 1 519.136 6.318 50 30 KKEAMM CCCC(=O)N1CCN(c2ccc(/N=C/c3cc(Cc4ccccc4)cc(Br)c3[O-])cc2)CC1 ZINC000004121813 552439496 /nfs/dbraw/zinc/43/94/96/552439496.db2.gz IZXYXMHEFXMGFU-TWKHWXDSSA-N -1 1 520.471 5.945 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1 ZINC000004641152 552470052 /nfs/dbraw/zinc/47/00/52/552470052.db2.gz KQALCLSTZOMBTH-QHCPKHFHSA-N -1 1 503.023 7.030 50 30 KKEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000004793575 552485273 /nfs/dbraw/zinc/48/52/73/552485273.db2.gz ACRYYQZNGRMBJX-JOCHJYFZSA-N -1 1 550.522 6.642 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000005355082 552498333 /nfs/dbraw/zinc/49/83/33/552498333.db2.gz PVVZHKIPSOIXEQ-QFIPXVFZSA-N -1 1 538.597 5.647 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1C ZINC000005355383 552498647 /nfs/dbraw/zinc/49/86/47/552498647.db2.gz HNOMQTASAGKFLZ-JOCHJYFZSA-N -1 1 538.597 5.647 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005355479 552498675 /nfs/dbraw/zinc/49/86/75/552498675.db2.gz YWLRICMRSYUURU-XMMPIXPASA-N -1 1 619.493 6.966 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(OCc3ccccc3)cc2)nc1C ZINC000005355809 552498995 /nfs/dbraw/zinc/49/89/95/552498995.db2.gz IKOCUOUMZXEMND-AREMUKBSSA-N -1 1 568.651 6.299 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OCc3ccccc3)cc2)nc1C ZINC000005355809 552498998 /nfs/dbraw/zinc/49/89/98/552498998.db2.gz IKOCUOUMZXEMND-AREMUKBSSA-N -1 1 568.651 6.299 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000005357377 552499625 /nfs/dbraw/zinc/49/96/25/552499625.db2.gz RSFDOCJTSCUAEZ-DEOSSOPVSA-N -1 1 546.645 6.018 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)c(C)c1 ZINC000005357387 552499746 /nfs/dbraw/zinc/49/97/46/552499746.db2.gz LMMOMRWOZMBOFO-OAQYLSRUSA-N -1 1 539.009 5.548 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@H]2c1ccc(Br)cc1 ZINC000005917844 552511634 /nfs/dbraw/zinc/51/16/34/552511634.db2.gz ILSGPPCHLWABMJ-FQEVSTJZSA-N -1 1 522.468 6.025 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)cc1C ZINC000005919785 552512719 /nfs/dbraw/zinc/51/27/19/552512719.db2.gz VKIRJVMINXGIJB-QFIPXVFZSA-N -1 1 553.036 5.938 50 30 KKEAMM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Br)cc2)c1 ZINC000006445360 552587655 /nfs/dbraw/zinc/58/76/55/552587655.db2.gz XBZFFYMTISFXMQ-YDJIHCHBSA-N -1 1 557.194 5.536 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000006458591 552590105 /nfs/dbraw/zinc/59/01/05/552590105.db2.gz KAZBTSVKDNAJST-QHCPKHFHSA-N -1 1 533.631 5.669 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccs1 ZINC000008383327 552986184 /nfs/dbraw/zinc/98/61/84/552986184.db2.gz BCGJUAFOCYALDP-NRFANRHFSA-N -1 1 549.630 6.560 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000008383364 552986440 /nfs/dbraw/zinc/98/64/40/552986440.db2.gz QTLGTGSBKANYPH-XMMPIXPASA-N -1 1 573.627 6.507 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccc(Br)c1 ZINC000008383404 552986574 /nfs/dbraw/zinc/98/65/74/552986574.db2.gz AHXODZTYNANUHV-QHCPKHFHSA-N -1 1 638.952 7.775 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000008383479 552986749 /nfs/dbraw/zinc/98/67/49/552986749.db2.gz XFDYLVMHYNYJAK-NDEPHWFRSA-N -1 1 629.735 8.068 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccc(O)c1 ZINC000008383443 552986863 /nfs/dbraw/zinc/98/68/63/552986863.db2.gz DWBQFQPRLAIGQQ-QHCPKHFHSA-N -1 1 576.055 6.719 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000008383950 552987978 /nfs/dbraw/zinc/98/79/78/552987978.db2.gz WHKCTFNTUDPLDT-XMMPIXPASA-N -1 1 608.528 7.975 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000008383973 552988293 /nfs/dbraw/zinc/98/82/93/552988293.db2.gz UHVIPJQSBSXYHU-MHZLTWQESA-N -1 1 613.717 7.075 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3cccs3)s2)cc1 ZINC000008383964 552988299 /nfs/dbraw/zinc/98/82/99/552988299.db2.gz OEDOEQHUEWENLO-JOCHJYFZSA-N -1 1 545.667 6.729 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000008433279 553028527 /nfs/dbraw/zinc/02/85/27/553028527.db2.gz DJOHXYKSEGUAKQ-XMMPIXPASA-N -1 1 548.661 6.242 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC=C)cc3C)[C@H]2c2ccc(OC)cc2)nc1C ZINC000008433349 553028533 /nfs/dbraw/zinc/02/85/33/553028533.db2.gz HGAYHCAGYQRFGE-XMMPIXPASA-N -1 1 560.628 5.459 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)cc3C)[C@H]2c2ccc(OC)cc2)nc1C ZINC000008433349 553028534 /nfs/dbraw/zinc/02/85/34/553028534.db2.gz HGAYHCAGYQRFGE-XMMPIXPASA-N -1 1 560.628 5.459 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000008440142 553036747 /nfs/dbraw/zinc/03/67/47/553036747.db2.gz ROSBQSDPTMGMBC-WJOKGBTCSA-N -1 1 622.699 7.074 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000008440142 553036748 /nfs/dbraw/zinc/03/67/48/553036748.db2.gz ROSBQSDPTMGMBC-WJOKGBTCSA-N -1 1 622.699 7.074 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441062 553039239 /nfs/dbraw/zinc/03/92/39/553039239.db2.gz LIFNMQVLRQUYRR-JOCHJYFZSA-N -1 1 553.865 7.058 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1O ZINC000008441145 553039587 /nfs/dbraw/zinc/03/95/87/553039587.db2.gz ARNGKNAOMGZCSL-JOCHJYFZSA-N -1 1 518.547 5.288 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc(Br)c1O ZINC000008441183 553039782 /nfs/dbraw/zinc/03/97/82/553039782.db2.gz LYRPCYMJDPFTPS-FQEVSTJZSA-N -1 1 583.416 5.660 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000008441222 553039931 /nfs/dbraw/zinc/03/99/31/553039931.db2.gz XMHVTWLLKTVENA-LJAQVGFWSA-N -1 1 641.771 7.937 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000008441255 553040171 /nfs/dbraw/zinc/04/01/71/553040171.db2.gz KFOPANRTFOYARI-LJAQVGFWSA-N -1 1 641.771 7.793 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000008441253 553040183 /nfs/dbraw/zinc/04/01/83/553040183.db2.gz KFOPANRTFOYARI-GDLZYMKVSA-N -1 1 641.771 7.793 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000008441671 553041393 /nfs/dbraw/zinc/04/13/93/553041393.db2.gz DEPFHUNJJWREGN-LJAQVGFWSA-N -1 1 582.678 7.567 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000008441712 553041813 /nfs/dbraw/zinc/04/18/13/553041813.db2.gz PZMXBACWMQICOX-WJOKGBTCSA-N -1 1 586.669 8.021 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000008441756 553042183 /nfs/dbraw/zinc/04/21/83/553042183.db2.gz DFPLGEHZUMTFMI-PMERELPUSA-N -1 1 588.641 8.016 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000008441738 553042192 /nfs/dbraw/zinc/04/21/92/553042192.db2.gz TWXFSCSZNSIEOF-DEOSSOPVSA-N -1 1 530.989 6.878 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccccc1F ZINC000008441801 553042483 /nfs/dbraw/zinc/04/24/83/553042483.db2.gz MZYFPCDFQCTVLS-MHZLTWQESA-N -1 1 593.661 7.652 50 30 KKEAMM Cc1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)cc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000008576279 553078398 /nfs/dbraw/zinc/07/83/98/553078398.db2.gz JFZKJZFGXRSCTC-UHFFFAOYSA-N -1 1 557.600 5.511 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000008744255 553134120 /nfs/dbraw/zinc/13/41/20/553134120.db2.gz INDRSUWJZPBGKS-NRFANRHFSA-N -1 1 520.607 5.327 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000008816939 553152314 /nfs/dbraw/zinc/15/23/14/553152314.db2.gz BMGAMNLRLQNUGN-JOCHJYFZSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000008816939 553152316 /nfs/dbraw/zinc/15/23/16/553152316.db2.gz BMGAMNLRLQNUGN-JOCHJYFZSA-N -1 1 504.539 5.544 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000008837254 553163763 /nfs/dbraw/zinc/16/37/63/553163763.db2.gz OZOVWOBRVBXTKP-XMMPIXPASA-N -1 1 516.575 5.495 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000008837254 553163766 /nfs/dbraw/zinc/16/37/66/553163766.db2.gz OZOVWOBRVBXTKP-XMMPIXPASA-N -1 1 516.575 5.495 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008837192 553163831 /nfs/dbraw/zinc/16/38/31/553163831.db2.gz VSHGQSWLQCEZQE-QHCPKHFHSA-N -1 1 520.538 5.244 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000008845737 553165722 /nfs/dbraw/zinc/16/57/22/553165722.db2.gz FVGXIPKEBQJGLU-GYCJOSAFSA-N -1 1 519.623 5.522 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000008845737 553165724 /nfs/dbraw/zinc/16/57/24/553165724.db2.gz FVGXIPKEBQJGLU-GYCJOSAFSA-N -1 1 519.623 5.522 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1 ZINC000008857933 553168536 /nfs/dbraw/zinc/16/85/36/553168536.db2.gz VHCAGTHZXWJGRN-OAQYLSRUSA-N -1 1 524.570 5.339 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008894073 553177585 /nfs/dbraw/zinc/17/75/85/553177585.db2.gz RDPOIGAXEHZRCK-RUZDIDTESA-N -1 1 514.603 6.103 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894512 553177671 /nfs/dbraw/zinc/17/76/71/553177671.db2.gz KVFPUQCKDZFZFM-AREMUKBSSA-N -1 1 512.631 6.739 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000008894996 553178074 /nfs/dbraw/zinc/17/80/74/553178074.db2.gz JSIFSGKEGXQOEK-DEOSSOPVSA-N -1 1 502.567 6.152 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008934736 553193252 /nfs/dbraw/zinc/19/32/52/553193252.db2.gz PIYQCIXIKZNBKO-HSZRJFAPSA-N -1 1 516.550 5.567 50 30 KKEAMM CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008951257 553193534 /nfs/dbraw/zinc/19/35/34/553193534.db2.gz PZGBJFVDUONDMV-TVSCDJBNSA-N -1 1 515.513 6.411 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008973230 553195186 /nfs/dbraw/zinc/19/51/86/553195186.db2.gz WFZTVVFQPCDARS-XMMPIXPASA-N -1 1 500.576 5.877 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000008973298 553195216 /nfs/dbraw/zinc/19/52/16/553195216.db2.gz VHJBLIGRVCVMDD-NRFANRHFSA-N -1 1 511.386 6.395 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000008973324 553195223 /nfs/dbraw/zinc/19/52/23/553195223.db2.gz OALPKFYTQWTLTG-HSZRJFAPSA-N -1 1 502.548 5.105 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000008974022 553195786 /nfs/dbraw/zinc/19/57/86/553195786.db2.gz ZXIZBIUANZMFFA-RUZDIDTESA-N -1 1 514.603 6.103 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008980488 553195979 /nfs/dbraw/zinc/19/59/79/553195979.db2.gz MBZNBVPJSMBLCD-XMMPIXPASA-N -1 1 500.576 5.795 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000008987819 553196847 /nfs/dbraw/zinc/19/68/47/553196847.db2.gz WDJMNOGHYNVHMK-HSZRJFAPSA-N -1 1 504.539 5.626 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000008996457 553197200 /nfs/dbraw/zinc/19/72/00/553197200.db2.gz JROUNLCJJPOKNT-QHCPKHFHSA-N -1 1 515.547 5.613 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009007490 553198115 /nfs/dbraw/zinc/19/81/15/553198115.db2.gz WIHYQSAEIYTZAM-XMMPIXPASA-N -1 1 500.576 5.713 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000009008013 553198459 /nfs/dbraw/zinc/19/84/59/553198459.db2.gz PJCFIYHXZYCJCG-HSZRJFAPSA-N -1 1 516.575 5.413 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009008174 553198481 /nfs/dbraw/zinc/19/84/81/553198481.db2.gz OSSVOAFQNRIODD-NRFANRHFSA-N -1 1 506.536 5.088 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009008225 553198510 /nfs/dbraw/zinc/19/85/10/553198510.db2.gz XPBDRBOWZMLTSU-HSZRJFAPSA-N -1 1 520.994 6.140 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000009008688 553199033 /nfs/dbraw/zinc/19/90/33/553199033.db2.gz BLLCAAKLPJPAKS-JOCHJYFZSA-N -1 1 508.958 6.270 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009041292 553202247 /nfs/dbraw/zinc/20/22/47/553202247.db2.gz LUNVKFSFJAXGBN-QHCPKHFHSA-N -1 1 521.013 7.169 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009041292 553202248 /nfs/dbraw/zinc/20/22/48/553202248.db2.gz LUNVKFSFJAXGBN-QHCPKHFHSA-N -1 1 521.013 7.169 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000009041393 553202269 /nfs/dbraw/zinc/20/22/69/553202269.db2.gz RBXDWDHNBWUNEH-QHCPKHFHSA-N -1 1 502.548 5.105 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009041153 553202314 /nfs/dbraw/zinc/20/23/14/553202314.db2.gz FFRHBRRPVXZQNG-NRFANRHFSA-N -1 1 524.570 5.339 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009044646 553203344 /nfs/dbraw/zinc/20/33/44/553203344.db2.gz DZWFIZNDZVXJIR-DEOSSOPVSA-N -1 1 516.575 5.413 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009046209 553203845 /nfs/dbraw/zinc/20/38/45/553203845.db2.gz KQDRJNTXSZRWEA-XMMPIXPASA-N -1 1 502.567 6.234 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000009069592 553206801 /nfs/dbraw/zinc/20/68/01/553206801.db2.gz MPXFXPNBAOBRDB-QFIPXVFZSA-N -1 1 506.605 5.938 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000009069592 553206803 /nfs/dbraw/zinc/20/68/03/553206803.db2.gz MPXFXPNBAOBRDB-QFIPXVFZSA-N -1 1 506.605 5.938 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000009069511 553206920 /nfs/dbraw/zinc/20/69/20/553206920.db2.gz QGSXKBBLJNKNDD-NRFANRHFSA-N -1 1 506.580 5.037 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009071470 553207065 /nfs/dbraw/zinc/20/70/65/553207065.db2.gz YXHZREKTGZUQFT-HSZRJFAPSA-N -1 1 520.538 5.244 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000009086248 553208355 /nfs/dbraw/zinc/20/83/55/553208355.db2.gz JCQPFSYLDNEHMP-JOCHJYFZSA-N -1 1 517.887 6.159 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000009110537 553210153 /nfs/dbraw/zinc/21/01/53/553210153.db2.gz XRIZGAXMNHLBEE-FQEVSTJZSA-N -1 1 502.832 6.050 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009178850 553216614 /nfs/dbraw/zinc/21/66/14/553216614.db2.gz GLZZEKFAQPFCEP-JOCHJYFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009178850 553216616 /nfs/dbraw/zinc/21/66/16/553216616.db2.gz GLZZEKFAQPFCEP-JOCHJYFZSA-N -1 1 501.520 5.304 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000009241540 553226286 /nfs/dbraw/zinc/22/62/86/553226286.db2.gz JQZXNDXCYSIMNS-XMMPIXPASA-N -1 1 502.567 6.234 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009271327 553230774 /nfs/dbraw/zinc/23/07/74/553230774.db2.gz DJVAUPUDFGCTKL-JOCHJYFZSA-N -1 1 504.633 6.447 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O ZINC000009272379 553231762 /nfs/dbraw/zinc/23/17/62/553231762.db2.gz KFTIUQQUROWIGW-NRFANRHFSA-N -1 1 503.860 5.856 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000009272823 553232002 /nfs/dbraw/zinc/23/20/02/553232002.db2.gz ADXOVBWZKFDOBV-OAQYLSRUSA-N -1 1 522.554 5.033 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000009272896 553232093 /nfs/dbraw/zinc/23/20/93/553232093.db2.gz XDASVYPVOPYBOQ-FQEVSTJZSA-N -1 1 502.832 6.050 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009302166 553236404 /nfs/dbraw/zinc/23/64/04/553236404.db2.gz MMYIGFIXUQHBJD-NRFANRHFSA-N -1 1 504.608 5.709 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009334364 553243172 /nfs/dbraw/zinc/24/31/72/553243172.db2.gz UXHOXXQULSTONX-HSZRJFAPSA-N -1 1 502.548 5.105 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009339626 553243721 /nfs/dbraw/zinc/24/37/21/553243721.db2.gz ORFQSNSBZVXPPI-RUZDIDTESA-N -1 1 514.603 6.185 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000009350026 553244987 /nfs/dbraw/zinc/24/49/87/553244987.db2.gz GBNOKNXWHVKBOG-IZHWHUGBSA-N -1 1 517.006 6.364 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000009353257 553245301 /nfs/dbraw/zinc/24/53/01/553245301.db2.gz VPQGCEFPWPXNKK-JOCHJYFZSA-N -1 1 503.511 5.743 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000009350875 553245325 /nfs/dbraw/zinc/24/53/25/553245325.db2.gz PHPWPJKDXWPOQQ-IZHWHUGBSA-N -1 1 517.006 6.364 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3)ccc2O1 ZINC000009350933 553245334 /nfs/dbraw/zinc/24/53/34/553245334.db2.gz ASLVZURQKFEGQK-FATZIPQQSA-N -1 1 502.979 6.056 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3)ccc2O1 ZINC000009350933 553245335 /nfs/dbraw/zinc/24/53/35/553245335.db2.gz ASLVZURQKFEGQK-FATZIPQQSA-N -1 1 502.979 6.056 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000009358572 553247743 /nfs/dbraw/zinc/24/77/43/553247743.db2.gz VGWKVNJWQJFEQW-AREMUKBSSA-N -1 1 520.582 5.598 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000009370639 553250058 /nfs/dbraw/zinc/25/00/58/553250058.db2.gz IDNGBBXAUNSJIS-QFIPXVFZSA-N -1 1 517.887 6.159 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000009370638 553250116 /nfs/dbraw/zinc/25/01/16/553250116.db2.gz IDNGBBXAUNSJIS-JOCHJYFZSA-N -1 1 517.887 6.159 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccnc2)o1 ZINC000009411329 553257472 /nfs/dbraw/zinc/25/74/72/553257472.db2.gz OJNCTQANHCNNIA-FQEVSTJZSA-N -1 1 504.593 5.218 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000009412491 553257545 /nfs/dbraw/zinc/25/75/45/553257545.db2.gz ZHAVJIRSPJDGBY-QKFKETGDSA-N -1 1 518.616 5.863 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2F)s1 ZINC000009427382 553259866 /nfs/dbraw/zinc/25/98/66/553259866.db2.gz RRTKXFUWDHQQHU-DEOSSOPVSA-N -1 1 515.566 5.656 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000009459744 553266654 /nfs/dbraw/zinc/26/66/54/553266654.db2.gz GCKLBINBJNVHKW-XMMPIXPASA-N -1 1 516.550 5.606 50 30 KKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009460752 553266931 /nfs/dbraw/zinc/26/69/31/553266931.db2.gz TUEBYJCUQLHTNU-JOCHJYFZSA-N -1 1 510.771 6.088 50 30 KKEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000009461138 553267292 /nfs/dbraw/zinc/26/72/92/553267292.db2.gz MBTGKXNYDGMYIW-QFIPXVFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000009461138 553267294 /nfs/dbraw/zinc/26/72/94/553267294.db2.gz MBTGKXNYDGMYIW-QFIPXVFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)c1 ZINC000009464096 553269348 /nfs/dbraw/zinc/26/93/48/553269348.db2.gz QANLBLQGXKTKIV-QHCPKHFHSA-N -1 1 516.575 5.413 50 30 KKEAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(F)cc2)cc1 ZINC000009482616 553272629 /nfs/dbraw/zinc/27/26/29/553272629.db2.gz VYDPQLBRJPHVJV-ROTAYESASA-N -1 1 528.580 5.908 50 30 KKEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009942580 553319720 /nfs/dbraw/zinc/31/97/20/553319720.db2.gz RNWINXWOUAGMCH-OAQYLSRUSA-N -1 1 508.043 5.925 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000009994392 553324967 /nfs/dbraw/zinc/32/49/67/553324967.db2.gz RVJIVVOVNMYQLQ-QFIPXVFZSA-N -1 1 520.607 5.427 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccccc3Cl)=C([O-])C(=O)N2c2ccc(C#N)c(Cl)c2)cc1 ZINC000013129388 553450618 /nfs/dbraw/zinc/45/06/18/553450618.db2.gz AXJJRCXAHWKWRN-JOCHJYFZSA-N -1 1 507.329 5.435 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000013550642 553470201 /nfs/dbraw/zinc/47/02/01/553470201.db2.gz IGQDBMVSZGYJAR-QFIPXVFZSA-N -1 1 509.414 6.948 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000013552687 553470872 /nfs/dbraw/zinc/47/08/72/553470872.db2.gz DGWKTSPIAJMVLV-OAQYLSRUSA-N -1 1 504.589 5.490 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000013553025 553470945 /nfs/dbraw/zinc/47/09/45/553470945.db2.gz VTTGNBFACRZYAP-DEOSSOPVSA-N -1 1 516.575 5.413 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000013570609 553473563 /nfs/dbraw/zinc/47/35/63/553473563.db2.gz HSICJYNNXGLUJQ-AREMUKBSSA-N -1 1 512.631 6.737 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c1[C@@H]2c1cccc(O)c1 ZINC000016286632 553558844 /nfs/dbraw/zinc/55/88/44/553558844.db2.gz BOYRTHONCDJYLG-HXUWFJFHSA-N -1 1 504.568 5.289 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016729525 553575592 /nfs/dbraw/zinc/57/55/92/553575592.db2.gz XAUZKLVQMAKBSD-JOCHJYFZSA-N -1 1 520.607 5.508 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016729525 553575593 /nfs/dbraw/zinc/57/55/93/553575593.db2.gz XAUZKLVQMAKBSD-JOCHJYFZSA-N -1 1 520.607 5.508 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000016729872 553575986 /nfs/dbraw/zinc/57/59/86/553575986.db2.gz LYIQGLQVQNPWEY-OAQYLSRUSA-N -1 1 524.570 5.339 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732186 553577506 /nfs/dbraw/zinc/57/75/06/553577506.db2.gz UXLPHCDLEXTZHD-QFIPXVFZSA-N -1 1 504.564 5.010 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732186 553577508 /nfs/dbraw/zinc/57/75/08/553577508.db2.gz UXLPHCDLEXTZHD-QFIPXVFZSA-N -1 1 504.564 5.010 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016741271 553579725 /nfs/dbraw/zinc/57/97/25/553579725.db2.gz MCHLAJUFQGKVPJ-DEOSSOPVSA-N -1 1 500.551 5.953 50 30 KKEAMM CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc21 ZINC000071329359 553635310 /nfs/dbraw/zinc/63/53/10/553635310.db2.gz KJUKTENZPXBOCV-UHFFFAOYSA-N -1 1 520.607 6.388 50 30 KKEAMM CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(OC)cc5)coc4c32)cc1 ZINC000085879511 553689676 /nfs/dbraw/zinc/68/96/76/553689676.db2.gz KIEPMLPCRBZYPU-RUZDIDTESA-N -1 1 542.628 7.355 50 30 biogenic KKEAMM CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)cc5)coc-4c32)cc1 ZINC000085879511 553689683 /nfs/dbraw/zinc/68/96/83/553689683.db2.gz KIEPMLPCRBZYPU-RUZDIDTESA-N -1 1 542.628 7.355 50 30 biogenic KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000097951444 553809099 /nfs/dbraw/zinc/80/90/99/553809099.db2.gz CYHJYAVYJJWLPE-QFIPXVFZSA-N -1 1 528.439 5.414 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000097951444 553809101 /nfs/dbraw/zinc/80/91/01/553809101.db2.gz CYHJYAVYJJWLPE-QFIPXVFZSA-N -1 1 528.439 5.414 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000097951725 553810919 /nfs/dbraw/zinc/81/09/19/553810919.db2.gz CJZDWFFOUQSMJL-QHCPKHFHSA-N -1 1 532.618 5.457 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000097951749 553811147 /nfs/dbraw/zinc/81/11/47/553811147.db2.gz YXSQHYAHRLRRQV-SANMLTNESA-N -1 1 544.629 6.112 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097952314 553814691 /nfs/dbraw/zinc/81/46/91/553814691.db2.gz RRLUUEASXKDGDH-SANMLTNESA-N -1 1 526.614 6.269 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097952318 553814718 /nfs/dbraw/zinc/81/47/18/553814718.db2.gz PDENFBWSBBKVTQ-QFIPXVFZSA-N -1 1 537.410 6.543 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952336 553815158 /nfs/dbraw/zinc/81/51/58/553815158.db2.gz WXDTYRNVHSNGNU-VWLOTQADSA-N -1 1 531.033 6.860 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952336 553815161 /nfs/dbraw/zinc/81/51/61/553815161.db2.gz WXDTYRNVHSNGNU-VWLOTQADSA-N -1 1 531.033 6.860 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952335 553815190 /nfs/dbraw/zinc/81/51/90/553815190.db2.gz WXDTYRNVHSNGNU-RUZDIDTESA-N -1 1 531.033 6.860 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952335 553815191 /nfs/dbraw/zinc/81/51/91/553815191.db2.gz WXDTYRNVHSNGNU-RUZDIDTESA-N -1 1 531.033 6.860 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097952331 553815206 /nfs/dbraw/zinc/81/52/06/553815206.db2.gz KQRLLZXMQANQAS-SANMLTNESA-N -1 1 526.614 6.269 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097952398 553815301 /nfs/dbraw/zinc/81/53/01/553815301.db2.gz AFXVXVMHQBCYEG-QHCPKHFHSA-N -1 1 533.447 6.713 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000097952448 553815991 /nfs/dbraw/zinc/81/59/91/553815991.db2.gz LVLSOAWKMCFLMV-XMMPIXPASA-N -1 1 542.573 5.425 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097952484 553816003 /nfs/dbraw/zinc/81/60/03/553816003.db2.gz MSESIILBIKYWGF-QFIPXVFZSA-N -1 1 519.966 6.203 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097952531 553816330 /nfs/dbraw/zinc/81/63/30/553816330.db2.gz AIRJCWRZFWWNIB-DEOSSOPVSA-N -1 1 535.021 6.312 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097952531 553816333 /nfs/dbraw/zinc/81/63/33/553816333.db2.gz AIRJCWRZFWWNIB-DEOSSOPVSA-N -1 1 535.021 6.312 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000097953031 553818853 /nfs/dbraw/zinc/81/88/53/553818853.db2.gz UZUOAWMUNXDLLU-DEOSSOPVSA-N -1 1 532.549 5.388 50 30 KKEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097953970 553820475 /nfs/dbraw/zinc/82/04/75/553820475.db2.gz IMIRPVRYKFBPFC-VWLOTQADSA-N -1 1 544.585 5.258 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097953970 553820476 /nfs/dbraw/zinc/82/04/76/553820476.db2.gz IMIRPVRYKFBPFC-VWLOTQADSA-N -1 1 544.585 5.258 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000097954884 553826463 /nfs/dbraw/zinc/82/64/63/553826463.db2.gz KRMLLZMMJPSHEG-JOCHJYFZSA-N -1 1 538.597 5.647 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955030 553827431 /nfs/dbraw/zinc/82/74/31/553827431.db2.gz BFIQYJCVKFNWGX-HZAQMHFWSA-N -1 1 616.711 7.509 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955030 553827432 /nfs/dbraw/zinc/82/74/32/553827432.db2.gz BFIQYJCVKFNWGX-HZAQMHFWSA-N -1 1 616.711 7.509 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955032 553827438 /nfs/dbraw/zinc/82/74/38/553827438.db2.gz NEPSPYLXSDQMNY-DLUDVSRJSA-N -1 1 546.576 5.559 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955032 553827441 /nfs/dbraw/zinc/82/74/41/553827441.db2.gz NEPSPYLXSDQMNY-DLUDVSRJSA-N -1 1 546.576 5.559 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955033 553827543 /nfs/dbraw/zinc/82/75/43/553827543.db2.gz NEPSPYLXSDQMNY-HWRSSNJWSA-N -1 1 546.576 5.559 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955033 553827544 /nfs/dbraw/zinc/82/75/44/553827544.db2.gz NEPSPYLXSDQMNY-HWRSSNJWSA-N -1 1 546.576 5.559 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955016 553827550 /nfs/dbraw/zinc/82/75/50/553827550.db2.gz PALGSGOSKGPQAV-BSEYFRJRSA-N -1 1 533.005 6.065 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955016 553827552 /nfs/dbraw/zinc/82/75/52/553827552.db2.gz PALGSGOSKGPQAV-BSEYFRJRSA-N -1 1 533.005 6.065 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955041 553827926 /nfs/dbraw/zinc/82/79/26/553827926.db2.gz VCPAFSTVRCEUTE-ODCWNRFASA-N -1 1 528.586 5.425 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097955068 553828253 /nfs/dbraw/zinc/82/82/53/553828253.db2.gz YSFDQBBREMBCPF-YEBMWUKDSA-N -1 1 623.481 5.888 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097955087 553828413 /nfs/dbraw/zinc/82/84/13/553828413.db2.gz IOMDXLIZGUSVTP-CRYYWNKWSA-N -1 1 540.641 6.535 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097955069 553828428 /nfs/dbraw/zinc/82/84/28/553828428.db2.gz YSFDQBBREMBCPF-RKNYENMMSA-N -1 1 623.481 5.888 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000097955186 553829511 /nfs/dbraw/zinc/82/95/11/553829511.db2.gz PIOZQPXFOJQUMO-NDEPHWFRSA-N -1 1 596.705 6.861 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000097955189 553829518 /nfs/dbraw/zinc/82/95/18/553829518.db2.gz BLHXTJOJBYSLCF-SXBQZSJRSA-N -1 1 576.602 5.568 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000097955238 553830335 /nfs/dbraw/zinc/83/03/35/553830335.db2.gz MXWUXHVHVOHHSL-IVCQMTBJSA-N -1 1 531.033 6.673 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097955264 553830707 /nfs/dbraw/zinc/83/07/07/553830707.db2.gz UPODBMJPAIOXNH-NPMABZOXSA-N -1 1 547.976 5.964 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000027529811 553831498 /nfs/dbraw/zinc/83/14/98/553831498.db2.gz RZABXKTUVMYLIN-NPMXOYFQSA-N -1 1 505.596 5.132 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000027529811 553831501 /nfs/dbraw/zinc/83/15/01/553831501.db2.gz RZABXKTUVMYLIN-NPMXOYFQSA-N -1 1 505.596 5.132 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097955597 553831559 /nfs/dbraw/zinc/83/15/59/553831559.db2.gz YHQCXNUCMDSAAQ-OYLFLEFRSA-N -1 1 527.558 5.619 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955663 553832413 /nfs/dbraw/zinc/83/24/13/553832413.db2.gz MNDYHPRRHDTCDQ-LMKMVOKYSA-N -1 1 540.597 5.498 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccnc2)nc1C ZINC000097955656 553832546 /nfs/dbraw/zinc/83/25/46/553832546.db2.gz SZXDLQDWZKSTQR-AREMUKBSSA-N -1 1 581.650 5.860 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000097955702 553833188 /nfs/dbraw/zinc/83/31/88/553833188.db2.gz UYOVYQNSPYFGNZ-PUAOIOHZSA-N -1 1 531.033 6.673 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955782 553833902 /nfs/dbraw/zinc/83/39/02/553833902.db2.gz ZJDIFWPCSAKQJT-SOKVYYICSA-N -1 1 556.640 6.124 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955803 553833949 /nfs/dbraw/zinc/83/39/49/553833949.db2.gz KFPMLYTVLDONCL-RBSBEOHCSA-N -1 1 602.684 7.119 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955803 553833952 /nfs/dbraw/zinc/83/39/52/553833952.db2.gz KFPMLYTVLDONCL-RBSBEOHCSA-N -1 1 602.684 7.119 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1OC ZINC000097955870 553834580 /nfs/dbraw/zinc/83/45/80/553834580.db2.gz LJMBYFDSUQGAHY-SANMLTNESA-N -1 1 542.613 5.831 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000097955856 553834601 /nfs/dbraw/zinc/83/46/01/553834601.db2.gz CBIAAUPCZYTOJI-MHZLTWQESA-N -1 1 539.657 6.640 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097956209 553836577 /nfs/dbraw/zinc/83/65/77/553836577.db2.gz XRHXACZBACVSFO-HFJWLAOPSA-N -1 1 524.598 5.828 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097956209 553836579 /nfs/dbraw/zinc/83/65/79/553836579.db2.gz XRHXACZBACVSFO-HFJWLAOPSA-N -1 1 524.598 5.828 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000097956797 553841749 /nfs/dbraw/zinc/84/17/49/553841749.db2.gz WWIGXJAPRKMINB-JOCHJYFZSA-N -1 1 536.606 5.127 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097956802 553841925 /nfs/dbraw/zinc/84/19/25/553841925.db2.gz IJTJQAQMUAZECX-QFIPXVFZSA-N -1 1 534.634 5.636 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000097956863 553842731 /nfs/dbraw/zinc/84/27/31/553842731.db2.gz PLXPISICNHCOHE-HSZRJFAPSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000097956863 553842732 /nfs/dbraw/zinc/84/27/32/553842732.db2.gz PLXPISICNHCOHE-HSZRJFAPSA-N -1 1 548.617 5.293 50 30 KKEAMM COCCN1C(=O)/C(=C\c2cc(OC)c([O-])c(Br)c2Br)S/C1=N\c1ccccc1 ZINC000097960148 553868623 /nfs/dbraw/zinc/86/86/23/553868623.db2.gz DAURPCBZQSQTMW-KRDAOVIXSA-N -1 1 542.249 5.176 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097966799 553910333 /nfs/dbraw/zinc/91/03/33/553910333.db2.gz UJVNWNJBYJXVKH-GDLZYMKVSA-N -1 1 640.714 6.482 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097967223 553915300 /nfs/dbraw/zinc/91/53/00/553915300.db2.gz WWMOEEXRCVSEEM-AREMUKBSSA-N -1 1 600.649 5.623 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000097967246 553915817 /nfs/dbraw/zinc/91/58/17/553915817.db2.gz KJUYEXJOIBAZRY-MQNRADLISA-N -1 1 565.478 7.326 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000097967246 553915820 /nfs/dbraw/zinc/91/58/20/553915820.db2.gz KJUYEXJOIBAZRY-MQNRADLISA-N -1 1 565.478 7.326 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967284 553916169 /nfs/dbraw/zinc/91/61/69/553916169.db2.gz VTOLIRNNZYXPDB-LDLUVENISA-N -1 1 598.677 6.375 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097967329 553917144 /nfs/dbraw/zinc/91/71/44/553917144.db2.gz TXDTVXIBWAPKEC-IZHWHUGBSA-N -1 1 577.634 6.215 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967336 553917269 /nfs/dbraw/zinc/91/72/69/553917269.db2.gz QVKCLDMCJOJDRQ-KATKFWMUSA-N -1 1 726.276 8.568 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097967378 553917608 /nfs/dbraw/zinc/91/76/08/553917608.db2.gz WLCAPYHJBBGDRB-FLASPHMUSA-N -1 1 677.848 8.659 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097967392 553918077 /nfs/dbraw/zinc/91/80/77/553918077.db2.gz KHWWPQWROSHUGV-MRDQGFSESA-N -1 1 560.672 6.185 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097967452 553918357 /nfs/dbraw/zinc/91/83/57/553918357.db2.gz AUVUHUUSWSYYMU-PRAQEBQASA-N -1 1 598.721 7.226 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967461 553918829 /nfs/dbraw/zinc/91/88/29/553918829.db2.gz QDZGQFHWGBFRCO-MUUNZHRXSA-N -1 1 586.666 6.428 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967461 553918830 /nfs/dbraw/zinc/91/88/30/553918830.db2.gz QDZGQFHWGBFRCO-MUUNZHRXSA-N -1 1 586.666 6.428 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967480 553918843 /nfs/dbraw/zinc/91/88/43/553918843.db2.gz DRKGSZLCPZJMID-OYLFLEFRSA-N -1 1 561.457 6.474 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000097967526 553919677 /nfs/dbraw/zinc/91/96/77/553919677.db2.gz ZPMIYTGVFDGHRW-SPSFWMDKSA-N -1 1 627.900 6.533 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000097967528 553919719 /nfs/dbraw/zinc/91/97/19/553919719.db2.gz ZPMIYTGVFDGHRW-SFDCACGMSA-N -1 1 627.900 6.533 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967532 553919864 /nfs/dbraw/zinc/91/98/64/553919864.db2.gz FHOPAFLEIUHOSK-PRAQEBQASA-N -1 1 574.658 7.503 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097967555 553920163 /nfs/dbraw/zinc/92/01/63/553920163.db2.gz OTNJAPKMFWJVKA-MYYSRTQBSA-N -1 1 610.544 7.244 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967564 553920170 /nfs/dbraw/zinc/92/01/70/553920170.db2.gz GYKHENBMFVNPET-BGOLNKOXSA-N -1 1 612.748 7.679 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000097967553 553920237 /nfs/dbraw/zinc/92/02/37/553920237.db2.gz NTRUNIQHBOBSGA-PVPMGCCUSA-N -1 1 558.612 5.516 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000097967593 553920615 /nfs/dbraw/zinc/92/06/15/553920615.db2.gz RPALZPCDFUSIQJ-DAOPMYJZSA-N -1 1 571.869 7.363 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097967657 553921447 /nfs/dbraw/zinc/92/14/47/553921447.db2.gz LDSHWEMHPXUUEP-NDEPHWFRSA-N -1 1 597.048 7.296 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000097967687 553921872 /nfs/dbraw/zinc/92/18/72/553921872.db2.gz WSXWKYRSCBLMHF-HEIROHQZSA-N -1 1 685.868 8.069 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967705 553921966 /nfs/dbraw/zinc/92/19/66/553921966.db2.gz AUDIOSAGIXFCJF-UKPGIYTDSA-N -1 1 706.286 8.558 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967850 553923957 /nfs/dbraw/zinc/92/39/57/553923957.db2.gz VUOHDBJGJHSMNN-YRVHBCJASA-N -1 1 712.677 8.431 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000097967836 553924050 /nfs/dbraw/zinc/92/40/50/553924050.db2.gz IWDPMZWJTHNKIO-PMERELPUSA-N -1 1 742.703 8.515 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097967876 553924636 /nfs/dbraw/zinc/92/46/36/553924636.db2.gz PJVNFSLGBYOTMJ-LDLUVENISA-N -1 1 578.621 7.334 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097967876 553924640 /nfs/dbraw/zinc/92/46/40/553924640.db2.gz PJVNFSLGBYOTMJ-LDLUVENISA-N -1 1 578.621 7.334 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097967919 553924923 /nfs/dbraw/zinc/92/49/23/553924923.db2.gz QGEUBPINKKCXJR-HSZRJFAPSA-N -1 1 612.516 6.691 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967955 553925718 /nfs/dbraw/zinc/92/57/18/553925718.db2.gz WNGCIBPDCBYSNF-RBSBEOHCSA-N -1 1 710.661 8.207 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097968004 553926164 /nfs/dbraw/zinc/92/61/64/553926164.db2.gz HIGVSZHLKTWPSO-LFPIHBKWSA-N -1 1 628.534 7.383 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968006 553926231 /nfs/dbraw/zinc/92/62/31/553926231.db2.gz HZWRYUDSHZSEDL-MHZLTWQESA-N -1 1 633.723 6.703 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097968014 553926665 /nfs/dbraw/zinc/92/66/65/553926665.db2.gz NSSLFSKOHWEFPC-SANMLTNESA-N -1 1 603.697 6.647 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968070 553926960 /nfs/dbraw/zinc/92/69/60/553926960.db2.gz JBFUHULSNCKJHE-PKHCJMHPSA-N -1 1 740.731 9.211 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968098 553927537 /nfs/dbraw/zinc/92/75/37/553927537.db2.gz WCKCFJPYWAXQSA-HHHXNRCGSA-N -1 1 649.722 6.321 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000097968123 553928000 /nfs/dbraw/zinc/92/80/00/553928000.db2.gz MNIUILGNVNXFSA-XIFFEERXSA-N -1 1 707.830 7.671 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968130 553928030 /nfs/dbraw/zinc/92/80/30/553928030.db2.gz XYEGYXVKEGNKHV-MUUNZHRXSA-N -1 1 680.204 7.225 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968154 553928330 /nfs/dbraw/zinc/92/83/30/553928330.db2.gz ZZCKGSFVKCACHG-MUUNZHRXSA-N -1 1 647.750 7.093 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968183 553928856 /nfs/dbraw/zinc/92/88/56/553928856.db2.gz DBDHCLCTCOWZAG-MHZLTWQESA-N -1 1 684.623 7.870 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097968210 553929071 /nfs/dbraw/zinc/92/90/71/553929071.db2.gz LVKRGTVEFNVLEI-HSZRJFAPSA-N -1 1 579.606 5.663 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097968233 553929622 /nfs/dbraw/zinc/92/96/22/553929622.db2.gz IOCMNPPNCPEVOZ-DEOSSOPVSA-N -1 1 591.642 5.532 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000097968245 553929655 /nfs/dbraw/zinc/92/96/55/553929655.db2.gz FLIYZQDPDZXOCQ-MHZLTWQESA-N -1 1 599.734 6.816 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968242 553929671 /nfs/dbraw/zinc/92/96/71/553929671.db2.gz SMPVWOZICPOMDL-AREMUKBSSA-N -1 1 617.680 6.088 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968266 553930101 /nfs/dbraw/zinc/93/01/01/553930101.db2.gz ZYZCYXCKRUMVCB-HHHXNRCGSA-N -1 1 615.733 6.482 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968270 553930146 /nfs/dbraw/zinc/93/01/46/553930146.db2.gz ZXIHEYVDYYIKBU-MHZLTWQESA-N -1 1 572.639 6.038 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968270 553930147 /nfs/dbraw/zinc/93/01/47/553930147.db2.gz ZXIHEYVDYYIKBU-MHZLTWQESA-N -1 1 572.639 6.038 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097968300 553930276 /nfs/dbraw/zinc/93/02/76/553930276.db2.gz MIRKDLLUEFMJRE-SANMLTNESA-N -1 1 620.152 7.161 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097968333 553930857 /nfs/dbraw/zinc/93/08/57/553930857.db2.gz XFPJLLJNVZNYBO-HHHXNRCGSA-N -1 1 606.697 6.032 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097968404 553931987 /nfs/dbraw/zinc/93/19/87/553931987.db2.gz OGOFCOBMSZPQBC-SSEXGKCCSA-N -1 1 667.740 7.103 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097969125 553936895 /nfs/dbraw/zinc/93/68/95/553936895.db2.gz BHNNELALQGQAAI-DXPJPUQTSA-N -1 1 559.087 7.354 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969129 553936966 /nfs/dbraw/zinc/93/69/66/553936966.db2.gz NRPXHEPRIBZVTO-SOKVYYICSA-N -1 1 556.640 6.200 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969139 553936984 /nfs/dbraw/zinc/93/69/84/553936984.db2.gz YGFQPUVYTGIHNR-QLXKLKPCSA-N -1 1 603.697 6.475 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097969172 553937363 /nfs/dbraw/zinc/93/73/63/553937363.db2.gz IRKSMRLZNNHUNP-DFXYEROKSA-N -1 1 657.814 7.433 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969198 553937678 /nfs/dbraw/zinc/93/76/78/553937678.db2.gz WHALWRZCWJRFPQ-UVDDSOTQSA-N -1 1 647.778 7.516 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097969186 553937930 /nfs/dbraw/zinc/93/79/30/553937930.db2.gz SOYJOHFNSKEMJZ-XGCWNURASA-N -1 1 556.640 6.200 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969217 553938354 /nfs/dbraw/zinc/93/83/54/553938354.db2.gz PCPYJZJBKHZVQZ-MNAQKMTRSA-N -1 1 618.711 7.380 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969273 553938821 /nfs/dbraw/zinc/93/88/21/553938821.db2.gz QWXFTZGHMPHVBT-WRONEBCDSA-N -1 1 662.233 8.159 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000097969259 553938842 /nfs/dbraw/zinc/93/88/42/553938842.db2.gz MNGCOQPBUCRPPY-NBLPZQPVSA-N -1 1 709.821 8.054 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000097969363 553940198 /nfs/dbraw/zinc/94/01/98/553940198.db2.gz VUOXJNAFLMSOLU-ZAMGYDSWSA-N -1 1 581.875 6.819 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969355 553940256 /nfs/dbraw/zinc/94/02/56/553940256.db2.gz QUSXHHOYRTUXTC-OLILMLBXSA-N -1 1 662.233 8.015 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969379 553940305 /nfs/dbraw/zinc/94/03/05/553940305.db2.gz GPTABEQZTVNQGT-FYSMJZIKSA-N -1 1 562.644 5.523 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969379 553940309 /nfs/dbraw/zinc/94/03/09/553940309.db2.gz GPTABEQZTVNQGT-FYSMJZIKSA-N -1 1 562.644 5.523 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969372 553940428 /nfs/dbraw/zinc/94/04/28/553940428.db2.gz MRZKAZSVTBFZQT-HMILPKGGSA-N -1 1 648.206 7.769 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000097969498 553941610 /nfs/dbraw/zinc/94/16/10/553941610.db2.gz WDSBAXTZOSRDIM-SANMLTNESA-N -1 1 637.541 7.605 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097969533 553941813 /nfs/dbraw/zinc/94/18/13/553941813.db2.gz GRHXUZGHDYYOQO-YTTGMZPUSA-N -1 1 660.748 8.091 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097969622 553942949 /nfs/dbraw/zinc/94/29/49/553942949.db2.gz FWCXPYNGIJJICV-JMQGSBJISA-N -1 1 604.725 6.728 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097969622 553942951 /nfs/dbraw/zinc/94/29/51/553942951.db2.gz FWCXPYNGIJJICV-JMQGSBJISA-N -1 1 604.725 6.728 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097969625 553943033 /nfs/dbraw/zinc/94/30/33/553943033.db2.gz JXZXLTNFENXDMS-LBEKAKSKSA-N -1 1 595.076 7.848 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097969625 553943037 /nfs/dbraw/zinc/94/30/37/553943037.db2.gz JXZXLTNFENXDMS-LBEKAKSKSA-N -1 1 595.076 7.848 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969735 553944092 /nfs/dbraw/zinc/94/40/92/553944092.db2.gz KCRJCYIUCXXRLV-SLQAJWMNSA-N -1 1 659.761 7.039 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969737 553944142 /nfs/dbraw/zinc/94/41/42/553944142.db2.gz KCRJCYIUCXXRLV-XBBWARJSSA-N -1 1 659.761 7.039 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969774 553944596 /nfs/dbraw/zinc/94/45/96/553944596.db2.gz DISQCVSQOMEVOF-ACSYHNTCSA-N -1 1 641.771 6.900 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097969750 553944682 /nfs/dbraw/zinc/94/46/82/553944682.db2.gz HWRMOMJNZOYLFC-XHCCPWGMSA-N -1 1 583.735 7.060 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097969750 553944684 /nfs/dbraw/zinc/94/46/84/553944684.db2.gz HWRMOMJNZOYLFC-XHCCPWGMSA-N -1 1 583.735 7.060 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097969834 553945413 /nfs/dbraw/zinc/94/54/13/553945413.db2.gz CKWHABROIRLQIV-MRDQGFSESA-N -1 1 604.681 5.698 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097969834 553945415 /nfs/dbraw/zinc/94/54/15/553945415.db2.gz CKWHABROIRLQIV-MRDQGFSESA-N -1 1 604.681 5.698 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097969811 553945528 /nfs/dbraw/zinc/94/55/28/553945528.db2.gz JONNWPWVOCBTFL-SGANQWHYSA-N -1 1 591.483 6.564 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969819 553945654 /nfs/dbraw/zinc/94/56/54/553945654.db2.gz CTEFDNGIPHSPPD-RBSBEOHCSA-N -1 1 600.693 6.599 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969819 553945656 /nfs/dbraw/zinc/94/56/56/553945656.db2.gz CTEFDNGIPHSPPD-RBSBEOHCSA-N -1 1 600.693 6.599 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097969937 553947274 /nfs/dbraw/zinc/94/72/74/553947274.db2.gz QPJGNPJEKWYLAM-PUAOIOHZSA-N -1 1 617.680 5.862 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969933 553947292 /nfs/dbraw/zinc/94/72/92/553947292.db2.gz ZAXUHVPMBSINAN-QLXKLKPCSA-N -1 1 554.624 5.806 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097969964 553947740 /nfs/dbraw/zinc/94/77/40/553947740.db2.gz FSQXQJYFDVAELA-JGCGQSQUSA-N -1 1 634.710 7.055 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000097970001 553948132 /nfs/dbraw/zinc/94/81/32/553948132.db2.gz PBSJQHLTLPOXDS-APYJYERMSA-N -1 1 602.712 7.598 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000097970003 553948146 /nfs/dbraw/zinc/94/81/46/553948146.db2.gz KQJRBKGRWIEQPM-UPCLLVRISA-N -1 1 560.628 5.299 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000097970003 553948148 /nfs/dbraw/zinc/94/81/48/553948148.db2.gz KQJRBKGRWIEQPM-UPCLLVRISA-N -1 1 560.628 5.299 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097969994 553948164 /nfs/dbraw/zinc/94/81/64/553948164.db2.gz ARUVKLHDGYVQME-MNAQKMTRSA-N -1 1 642.774 7.625 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000097970004 553948197 /nfs/dbraw/zinc/94/81/97/553948197.db2.gz KQJRBKGRWIEQPM-FYSMJZIKSA-N -1 1 560.628 5.299 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000097970004 553948199 /nfs/dbraw/zinc/94/81/99/553948199.db2.gz KQJRBKGRWIEQPM-FYSMJZIKSA-N -1 1 560.628 5.299 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970040 553948546 /nfs/dbraw/zinc/94/85/46/553948546.db2.gz FFDKEYQNLJXYEG-WENCNXQZSA-N -1 1 598.721 7.370 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970044 553948607 /nfs/dbraw/zinc/94/86/07/553948607.db2.gz IJEYLKQMARZSCU-ADXZGYQBSA-N -1 1 584.694 6.899 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970074 553949069 /nfs/dbraw/zinc/94/90/69/553949069.db2.gz ANSKROOFOOKZOM-XBBWARJSSA-N -1 1 584.694 6.980 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097970109 553949576 /nfs/dbraw/zinc/94/95/76/553949576.db2.gz RRQDENMUZHVNLS-MQFAKOPTSA-N -1 1 653.156 8.034 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097970109 553949580 /nfs/dbraw/zinc/94/95/80/553949580.db2.gz RRQDENMUZHVNLS-MQFAKOPTSA-N -1 1 653.156 8.034 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970090 553949634 /nfs/dbraw/zinc/94/96/34/553949634.db2.gz ZQCDVDKJXAEKPK-JCOAXYOVSA-N -1 1 612.748 7.535 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097970129 553949946 /nfs/dbraw/zinc/94/99/46/553949946.db2.gz LJJBLXGONNSSAK-MUUNZHRXSA-N -1 1 626.687 6.179 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970134 553950016 /nfs/dbraw/zinc/95/00/16/553950016.db2.gz HSCWZHWQCOIECU-CBZJRKILSA-N -1 1 575.086 7.235 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970134 553950021 /nfs/dbraw/zinc/95/00/21/553950021.db2.gz HSCWZHWQCOIECU-CBZJRKILSA-N -1 1 575.086 7.235 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097970146 553950093 /nfs/dbraw/zinc/95/00/93/553950093.db2.gz HAFMANOOEOBYDS-PUAOIOHZSA-N -1 1 592.670 5.532 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970185 553950806 /nfs/dbraw/zinc/95/08/06/553950806.db2.gz SYQFAILTFXIMJH-SLQAJWMNSA-N -1 1 584.694 6.980 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970195 553950823 /nfs/dbraw/zinc/95/08/23/553950823.db2.gz RODFQFMQMKGUDI-LJAQVGFWSA-N -1 1 616.692 6.437 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970195 553950825 /nfs/dbraw/zinc/95/08/25/553950825.db2.gz RODFQFMQMKGUDI-LJAQVGFWSA-N -1 1 616.692 6.437 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097970183 553950828 /nfs/dbraw/zinc/95/08/28/553950828.db2.gz AQUGOHYNMIRTIO-OLILMLBXSA-N -1 1 646.762 6.724 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097970183 553950830 /nfs/dbraw/zinc/95/08/30/553950830.db2.gz AQUGOHYNMIRTIO-OLILMLBXSA-N -1 1 646.762 6.724 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970196 553950856 /nfs/dbraw/zinc/95/08/56/553950856.db2.gz UQNYJGMXKNFWLD-JCOAXYOVSA-N -1 1 689.831 8.044 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097970240 553951123 /nfs/dbraw/zinc/95/11/23/553951123.db2.gz XTJQPWARTJMKPI-WWOZWPLTSA-N -1 1 609.103 7.635 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097970240 553951127 /nfs/dbraw/zinc/95/11/27/553951127.db2.gz XTJQPWARTJMKPI-WWOZWPLTSA-N -1 1 609.103 7.635 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097970237 553951312 /nfs/dbraw/zinc/95/13/12/553951312.db2.gz XTJQPWARTJMKPI-QTEAWJPNSA-N -1 1 609.103 7.635 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097970237 553951314 /nfs/dbraw/zinc/95/13/14/553951314.db2.gz XTJQPWARTJMKPI-QTEAWJPNSA-N -1 1 609.103 7.635 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097970258 553951606 /nfs/dbraw/zinc/95/16/06/553951606.db2.gz HOBSWOPKKAONSB-WRHNGFHOSA-N -1 1 568.695 7.099 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970251 553951618 /nfs/dbraw/zinc/95/16/18/553951618.db2.gz MHLZOTAOWYRUMM-GDJIYFAZSA-N -1 1 631.751 7.255 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970252 553951718 /nfs/dbraw/zinc/95/17/18/553951718.db2.gz NYVFOLBPVSZCDS-WWOZWPLTSA-N -1 1 633.166 8.024 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970252 553951722 /nfs/dbraw/zinc/95/17/22/553951722.db2.gz NYVFOLBPVSZCDS-WWOZWPLTSA-N -1 1 633.166 8.024 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097970287 553952111 /nfs/dbraw/zinc/95/21/11/553952111.db2.gz QKPOOZSRHXJWID-MQNRADLISA-N -1 1 668.580 7.030 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000097970330 553952395 /nfs/dbraw/zinc/95/23/95/553952395.db2.gz HBUNGEMVEMRKAO-AKJBCIBTSA-N -1 1 572.639 5.737 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000097970361 553952973 /nfs/dbraw/zinc/95/29/73/553952973.db2.gz TYPNRCBRLJCNSC-UKPGIYTDSA-N -1 1 706.286 8.414 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097970430 553954092 /nfs/dbraw/zinc/95/40/92/553954092.db2.gz HWJRXJRFVWQPMP-RZFZLAGVSA-N -1 1 567.450 6.718 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970449 553954160 /nfs/dbraw/zinc/95/41/60/553954160.db2.gz KBNPZYBIQRYOMH-HEIROHQZSA-N -1 1 685.868 8.213 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970447 553954225 /nfs/dbraw/zinc/95/42/25/553954225.db2.gz KBNPZYBIQRYOMH-UDNBHOFDSA-N -1 1 685.868 8.213 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970477 553954465 /nfs/dbraw/zinc/95/44/65/553954465.db2.gz BZLPTEFJJCHWLY-GDJIYFAZSA-N -1 1 648.206 7.769 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097970486 553954594 /nfs/dbraw/zinc/95/45/94/553954594.db2.gz ZYZUKXDVCOAGCO-MUUNZHRXSA-N -1 1 628.703 6.316 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970469 553954691 /nfs/dbraw/zinc/95/46/91/553954691.db2.gz NKQAKJWBUKCAST-UULLZXFKSA-N -1 1 603.096 7.020 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970469 553954692 /nfs/dbraw/zinc/95/46/92/553954692.db2.gz NKQAKJWBUKCAST-UULLZXFKSA-N -1 1 603.096 7.020 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000097970493 553954908 /nfs/dbraw/zinc/95/49/08/553954908.db2.gz LAEUMNBBMDOXOM-YMGMXPECSA-N -1 1 586.666 6.209 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000097970493 553954909 /nfs/dbraw/zinc/95/49/09/553954909.db2.gz LAEUMNBBMDOXOM-YMGMXPECSA-N -1 1 586.666 6.209 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC000097970533 553955513 /nfs/dbraw/zinc/95/55/13/553955513.db2.gz AZYXLUOLMQKORJ-SSOJOUAXSA-N -1 1 590.126 6.899 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970527 553955611 /nfs/dbraw/zinc/95/56/11/553955611.db2.gz QXKHCNZXMLNJDA-WXTAPIANSA-N -1 1 585.707 6.335 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970579 553955994 /nfs/dbraw/zinc/95/59/94/553955994.db2.gz QULRYCOPLJCSQP-HZAQMHFWSA-N -1 1 612.704 6.765 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970557 553956053 /nfs/dbraw/zinc/95/60/53/553956053.db2.gz IYRVJJSGINNTQC-WRGVRERRSA-N -1 1 598.721 7.145 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970599 553956224 /nfs/dbraw/zinc/95/62/24/553956224.db2.gz LQEAFIDGTJGIRF-WWOZWPLTSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970599 553956225 /nfs/dbraw/zinc/95/62/25/553956225.db2.gz LQEAFIDGTJGIRF-WWOZWPLTSA-N -1 1 614.720 6.989 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097970606 553956259 /nfs/dbraw/zinc/95/62/59/553956259.db2.gz CJSBRYRZCMCVEJ-IZHWHUGBSA-N -1 1 610.544 7.244 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097970613 553956316 /nfs/dbraw/zinc/95/63/16/553956316.db2.gz QOUZDBZMIDPHES-XRHLQHRESA-N -1 1 620.724 6.312 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCC)c3)sc2c1 ZINC000097970678 553957500 /nfs/dbraw/zinc/95/75/00/553957500.db2.gz DFQQALJUILUIJC-CRYYWNKWSA-N -1 1 556.640 6.200 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970681 553957555 /nfs/dbraw/zinc/95/75/55/553957555.db2.gz NXRVYOJURONNTG-DNOBIOAJSA-N -1 1 615.708 6.641 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970682 553957575 /nfs/dbraw/zinc/95/75/75/553957575.db2.gz NXRVYOJURONNTG-XRHLQHRESA-N -1 1 615.708 6.641 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970714 553957911 /nfs/dbraw/zinc/95/79/11/553957911.db2.gz SIVQTGCMDKITIU-MMTVBGGISA-N -1 1 613.761 7.034 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970713 553958010 /nfs/dbraw/zinc/95/80/10/553958010.db2.gz SIVQTGCMDKITIU-WTYVLRPYSA-N -1 1 613.761 7.034 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970760 553958278 /nfs/dbraw/zinc/95/82/78/553958278.db2.gz BGJCALJOSRDVQH-ADXZGYQBSA-N -1 1 676.216 7.554 50 30 KKEAMM Cc1ccc(S(=O)(=O)[N-]C(=O)N(CCCN2C(=O)c3cccc4cccc(c43)C2=O)c2cccc3ccccc32)cc1 ZINC000097983286 554008446 /nfs/dbraw/zinc/00/84/46/554008446.db2.gz IUZXQNVGPKONPZ-UHFFFAOYSA-N -1 1 577.662 6.097 50 30 KKEAMM Cc1ccc(S(=O)(=O)N=C([O-])N(CCCN2C(=O)c3cccc4cccc(c43)C2=O)c2cccc3ccccc32)cc1 ZINC000097983286 554008448 /nfs/dbraw/zinc/00/84/48/554008448.db2.gz IUZXQNVGPKONPZ-UHFFFAOYSA-N -1 1 577.662 6.097 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1C ZINC000098046337 554137944 /nfs/dbraw/zinc/13/79/44/554137944.db2.gz FBPLRWIQULXJFN-FQEVSTJZSA-N -1 1 526.998 5.382 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccccc2F)cc1 ZINC000098046445 554138867 /nfs/dbraw/zinc/13/88/67/554138867.db2.gz WMGQRFUWGHGMAN-VWLOTQADSA-N -1 1 575.687 6.931 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098046506 554139844 /nfs/dbraw/zinc/13/98/44/554139844.db2.gz DHJJKNKQKKEPCW-MUUNZHRXSA-N -1 1 660.148 8.207 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000098046525 554140108 /nfs/dbraw/zinc/14/01/08/554140108.db2.gz YCVDMMBWNYISBV-MUUNZHRXSA-N -1 1 611.745 7.847 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000098046540 554140346 /nfs/dbraw/zinc/14/03/46/554140346.db2.gz DLPCQUBJVZMJOC-MHZLTWQESA-N -1 1 615.708 7.678 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000098046541 554140381 /nfs/dbraw/zinc/14/03/81/554140381.db2.gz PXWMTOTTXILKTE-AREMUKBSSA-N -1 1 599.665 7.063 50 30 KKEAMM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccccc1 ZINC000098046594 554141056 /nfs/dbraw/zinc/14/10/56/554141056.db2.gz NALZYYJPWYCAKE-HHHXNRCGSA-N -1 1 553.039 7.312 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000098046594 554141061 /nfs/dbraw/zinc/14/10/61/554141061.db2.gz NALZYYJPWYCAKE-HHHXNRCGSA-N -1 1 553.039 7.312 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000098046592 554141070 /nfs/dbraw/zinc/14/10/70/554141070.db2.gz GKSYYBJSRXPQGP-OAQYLSRUSA-N -1 1 570.117 6.727 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046621 554141596 /nfs/dbraw/zinc/14/15/96/554141596.db2.gz XOGYUSXJCKMTMW-MHZLTWQESA-N -1 1 556.640 6.338 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000098046616 554141688 /nfs/dbraw/zinc/14/16/88/554141688.db2.gz LEYLUILROIWHJG-MUUNZHRXSA-N -1 1 621.111 7.081 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000098046702 554142739 /nfs/dbraw/zinc/14/27/39/554142739.db2.gz PGPJTLJZIMDHHA-PMERELPUSA-N -1 1 589.673 7.309 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000098046845 554144176 /nfs/dbraw/zinc/14/41/76/554144176.db2.gz SEHPMFUPYZCRGY-QFIPXVFZSA-N -1 1 584.506 6.929 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047232 554147991 /nfs/dbraw/zinc/14/79/91/554147991.db2.gz FVAKIRMXJJQDCQ-LJAQVGFWSA-N -1 1 625.747 8.003 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047228 554148002 /nfs/dbraw/zinc/14/80/02/554148002.db2.gz HHCCRBNIIYFGEB-MHZLTWQESA-N -1 1 613.692 6.928 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047234 554148025 /nfs/dbraw/zinc/14/80/25/554148025.db2.gz VUYVAEYFDBSXIL-NDEPHWFRSA-N -1 1 627.719 7.318 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccncc2)cc1F ZINC000098047262 554148310 /nfs/dbraw/zinc/14/83/10/554148310.db2.gz XFBWYUFAZAGBDD-VWLOTQADSA-N -1 1 584.654 6.309 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000098047290 554148793 /nfs/dbraw/zinc/14/87/93/554148793.db2.gz WRAWZMZYHBOSSO-DEOSSOPVSA-N -1 1 550.633 5.633 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(O)cc2)cc1F ZINC000098047274 554148824 /nfs/dbraw/zinc/14/88/24/554148824.db2.gz CKRAADJNCWPBMY-SANMLTNESA-N -1 1 599.665 6.620 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000098047288 554148861 /nfs/dbraw/zinc/14/88/61/554148861.db2.gz WANHIFREBISVHA-DEOSSOPVSA-N -1 1 534.634 6.015 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000098047288 554148863 /nfs/dbraw/zinc/14/88/63/554148863.db2.gz WANHIFREBISVHA-DEOSSOPVSA-N -1 1 534.634 6.015 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccccc2)cc1 ZINC000098047292 554148923 /nfs/dbraw/zinc/14/89/23/554148923.db2.gz AMHBIZMLTJHBLX-VWLOTQADSA-N -1 1 575.687 6.931 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Br)c2)cc1F ZINC000098047315 554149231 /nfs/dbraw/zinc/14/92/31/554149231.db2.gz OPSLOZXNVGECRK-AREMUKBSSA-N -1 1 662.562 7.677 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000098047364 554150047 /nfs/dbraw/zinc/15/00/47/554150047.db2.gz KODROKCCMSSZDW-AREMUKBSSA-N -1 1 622.168 7.454 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047402 554150568 /nfs/dbraw/zinc/15/05/68/554150568.db2.gz XYXNWFPIHXBMIR-GDLZYMKVSA-N -1 1 664.249 8.625 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000098047416 554150576 /nfs/dbraw/zinc/15/05/76/554150576.db2.gz HCSNZWUEVUMLPY-WJOKGBTCSA-N -1 1 657.858 8.670 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000098047398 554150615 /nfs/dbraw/zinc/15/06/15/554150615.db2.gz HMQYIVFYDHCTCZ-HSZRJFAPSA-N -1 1 644.533 7.154 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000098047441 554150908 /nfs/dbraw/zinc/15/09/08/554150908.db2.gz OBTMVPDFRIXTLA-QFIPXVFZSA-N -1 1 555.052 6.162 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047472 554151401 /nfs/dbraw/zinc/15/14/01/554151401.db2.gz UIMFBEUEECWFMV-MUUNZHRXSA-N -1 1 666.221 7.853 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047462 554151452 /nfs/dbraw/zinc/15/14/52/554151452.db2.gz DDPJLRWNEMYGKZ-JGCGQSQUSA-N -1 1 681.811 8.510 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC ZINC000098047504 554151809 /nfs/dbraw/zinc/15/18/09/554151809.db2.gz GTPNYNQOBIBJLD-LJAQVGFWSA-N -1 1 661.777 7.505 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047501 554151824 /nfs/dbraw/zinc/15/18/24/554151824.db2.gz BJMDPHUIRMUSCC-RUZDIDTESA-N -1 1 606.697 6.013 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047536 554152190 /nfs/dbraw/zinc/15/21/90/554152190.db2.gz VBDBPEGGKXEZRN-HHHXNRCGSA-N -1 1 682.220 7.471 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000098047525 554152236 /nfs/dbraw/zinc/15/22/36/554152236.db2.gz NMOFKRJMBSYBNP-QHCPKHFHSA-N -1 1 567.063 6.410 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000098047533 554152336 /nfs/dbraw/zinc/15/23/36/554152336.db2.gz WFEWIGAQXGEMOE-YTTGMZPUSA-N -1 1 722.329 9.413 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047554 554152768 /nfs/dbraw/zinc/15/27/68/554152768.db2.gz XVADDYIEWIKOHF-HKBQPEDESA-N -1 1 691.847 8.365 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047593 554153064 /nfs/dbraw/zinc/15/30/64/554153064.db2.gz SVHBUKYXBLDGHG-AREMUKBSSA-N -1 1 616.721 7.009 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047588 554153077 /nfs/dbraw/zinc/15/30/77/554153077.db2.gz CJSYEGQWQJGPOG-HKBQPEDESA-N -1 1 708.302 9.023 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047622 554153406 /nfs/dbraw/zinc/15/34/06/554153406.db2.gz XGXXOSMWJBCIPP-NDEPHWFRSA-N -1 1 631.776 7.118 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000098047623 554153611 /nfs/dbraw/zinc/15/36/11/554153611.db2.gz DUIUQBSRWUFXNQ-JGCGQSQUSA-N -1 1 705.874 8.899 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000098047637 554153888 /nfs/dbraw/zinc/15/38/88/554153888.db2.gz CHJOYFQTZXOUMI-HHHXNRCGSA-N -1 1 619.740 7.330 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccs2)cc1F ZINC000098047712 554154873 /nfs/dbraw/zinc/15/48/73/554154873.db2.gz AYTRPYQBOATZOY-DEOSSOPVSA-N -1 1 589.695 6.976 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1F ZINC000098047727 554154917 /nfs/dbraw/zinc/15/49/17/554154917.db2.gz HDDUMLQWFVPTBA-MUUNZHRXSA-N -1 1 643.718 6.931 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(O)c2)cc1F ZINC000098047737 554155411 /nfs/dbraw/zinc/15/54/11/554155411.db2.gz QLNVTEKSUACMQH-AREMUKBSSA-N -1 1 599.665 6.620 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2)cc1OC ZINC000098047774 554155901 /nfs/dbraw/zinc/15/59/01/554155901.db2.gz RKJIWXGARLUGHG-MHZLTWQESA-N -1 1 595.702 6.784 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000098047792 554156143 /nfs/dbraw/zinc/15/61/43/554156143.db2.gz HIUFHJBJEWPUJP-LJAQVGFWSA-N -1 1 655.754 6.801 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000098047795 554156229 /nfs/dbraw/zinc/15/62/29/554156229.db2.gz LJWZGIJDZVDQMR-HHHXNRCGSA-N -1 1 664.592 8.091 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000098047854 554157009 /nfs/dbraw/zinc/15/70/09/554157009.db2.gz ZBMQMPFTUOJHGR-MHZLTWQESA-N -1 1 640.699 6.692 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000098047896 554157338 /nfs/dbraw/zinc/15/73/38/554157338.db2.gz UOSKJOPCINLQMN-MHZLTWQESA-N -1 1 625.659 6.373 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000098047987 554158301 /nfs/dbraw/zinc/15/83/01/554158301.db2.gz WJVDFKQPGOFNKY-OWJWWREXSA-N -1 1 530.602 5.325 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)ccc1O ZINC000098048013 554158314 /nfs/dbraw/zinc/15/83/14/554158314.db2.gz MUUKNVUYNRZTPB-SANMLTNESA-N -1 1 542.613 5.918 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nnc(C(C)C)s2)ccc1OCCC(C)C ZINC000098047983 554158401 /nfs/dbraw/zinc/15/84/01/554158401.db2.gz KRTVAHOSUCURNE-HSZRJFAPSA-N -1 1 539.629 6.017 50 30 KKEAMM COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000053276040 554330632 /nfs/dbraw/zinc/33/06/32/554330632.db2.gz JIMPHZVSIVMXET-KCEHZKJRSA-N -1 1 584.625 5.256 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000053290006 554331225 /nfs/dbraw/zinc/33/12/25/554331225.db2.gz CQDXQDMOCVHISH-QHCPKHFHSA-N -1 1 535.021 6.367 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053305755 554332723 /nfs/dbraw/zinc/33/27/23/554332723.db2.gz RFCXRLLVQZFEHL-XMMPIXPASA-N -1 1 563.473 6.857 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053305767 554332759 /nfs/dbraw/zinc/33/27/59/554332759.db2.gz ROQXADAWBRXORX-OAQYLSRUSA-N -1 1 529.401 6.686 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000053305917 554333193 /nfs/dbraw/zinc/33/31/93/554333193.db2.gz PTQDCRHOSXONTK-VWLOTQADSA-N -1 1 532.593 6.324 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000053305917 554333191 /nfs/dbraw/zinc/33/31/91/554333191.db2.gz PTQDCRHOSXONTK-VWLOTQADSA-N -1 1 532.593 6.324 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053306255 554333474 /nfs/dbraw/zinc/33/34/74/554333474.db2.gz GAFQZEOTGZVCKK-JOCHJYFZSA-N -1 1 553.409 6.380 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053306167 554333556 /nfs/dbraw/zinc/33/35/56/554333556.db2.gz OCHLNDFNPHNFBB-XMMPIXPASA-N -1 1 535.021 6.367 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000053306272 554333637 /nfs/dbraw/zinc/33/36/37/554333637.db2.gz HEQOALRPSGNUFR-QHCPKHFHSA-N -1 1 531.546 5.395 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306186 554333661 /nfs/dbraw/zinc/33/36/61/554333661.db2.gz NMOBWLRIYNJCSL-QHCPKHFHSA-N -1 1 565.445 6.249 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306332 554333902 /nfs/dbraw/zinc/33/39/02/554333902.db2.gz JONNWPWVOCBTFL-MQNRADLISA-N -1 1 591.483 6.564 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053306614 554333986 /nfs/dbraw/zinc/33/39/86/554333986.db2.gz DQPMAGANHYLJKQ-DEOSSOPVSA-N -1 1 563.473 6.857 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000053306339 554334083 /nfs/dbraw/zinc/33/40/83/554334083.db2.gz XRVKIGIYXWDWRI-AREMUKBSSA-N -1 1 528.630 6.610 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053306779 554334353 /nfs/dbraw/zinc/33/43/53/554334353.db2.gz WVMKZACDBFACGN-MHZLTWQESA-N -1 1 556.640 6.256 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053306956 554334779 /nfs/dbraw/zinc/33/47/79/554334779.db2.gz JANFJLQACDDVHJ-HSZRJFAPSA-N -1 1 531.546 5.395 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053307509 554335003 /nfs/dbraw/zinc/33/50/03/554335003.db2.gz YNQZPWXAVUXXRV-LJQANCHMSA-N -1 1 547.416 5.645 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000053307666 554335484 /nfs/dbraw/zinc/33/54/84/554335484.db2.gz YYSYCORRHYWJPR-QFIPXVFZSA-N -1 1 541.398 5.535 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053319177 554336671 /nfs/dbraw/zinc/33/66/71/554336671.db2.gz YEXXSOWRKGVPDB-NRFANRHFSA-N -1 1 521.392 5.850 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000053319363 554337504 /nfs/dbraw/zinc/33/75/04/554337504.db2.gz FMNFNISYRWLBMH-VWLOTQADSA-N -1 1 527.602 5.525 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000053319363 554337507 /nfs/dbraw/zinc/33/75/07/554337507.db2.gz FMNFNISYRWLBMH-VWLOTQADSA-N -1 1 527.602 5.525 50 30 KKEAMM Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053319387 554337619 /nfs/dbraw/zinc/33/76/19/554337619.db2.gz XNVMXNVMLSHKIR-OAQYLSRUSA-N -1 1 523.383 6.289 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053319387 554337621 /nfs/dbraw/zinc/33/76/21/554337621.db2.gz XNVMXNVMLSHKIR-OAQYLSRUSA-N -1 1 523.383 6.289 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000053319443 554337950 /nfs/dbraw/zinc/33/79/50/554337950.db2.gz WBSLOXSKPVVQQG-OAQYLSRUSA-N -1 1 541.025 5.770 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000053319510 554338599 /nfs/dbraw/zinc/33/85/99/554338599.db2.gz RXNVSTXCMGPQIQ-HXUWFJFHSA-N -1 1 525.811 6.495 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000053332402 554338896 /nfs/dbraw/zinc/33/88/96/554338896.db2.gz IOMDXLIZGUSVTP-SOKVYYICSA-N -1 1 540.641 6.535 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053332230 554338952 /nfs/dbraw/zinc/33/89/52/554338952.db2.gz IZEABDIZIXOKJN-AREMUKBSSA-N -1 1 540.597 5.724 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000053333200 554339298 /nfs/dbraw/zinc/33/92/98/554339298.db2.gz ZQNINOHOGRILDT-BZQUYTCOSA-N -1 1 528.586 5.420 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053334842 554340107 /nfs/dbraw/zinc/34/01/07/554340107.db2.gz MDECOUXBDRFDQN-MUUNZHRXSA-N -1 1 570.667 6.646 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000053334159 554340342 /nfs/dbraw/zinc/34/03/42/554340342.db2.gz JJHBEKJZBAITEQ-DEOSSOPVSA-N -1 1 595.029 5.530 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(Br)cn3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053335145 554340549 /nfs/dbraw/zinc/34/05/49/554340549.db2.gz VQFLDCNUGUKLAJ-OAQYLSRUSA-N -1 1 558.226 5.788 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053335614 554341001 /nfs/dbraw/zinc/34/10/01/554341001.db2.gz OFJJFZRERNPNDG-IQMFZBJNSA-N -1 1 548.617 5.133 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000053335614 554340997 /nfs/dbraw/zinc/34/09/97/554340997.db2.gz OFJJFZRERNPNDG-IQMFZBJNSA-N -1 1 548.617 5.133 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000053335360 554341213 /nfs/dbraw/zinc/34/12/13/554341213.db2.gz GIJJZSCGUGKXFS-AREMUKBSSA-N -1 1 528.630 6.357 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000053336032 554341360 /nfs/dbraw/zinc/34/13/60/554341360.db2.gz WFYJULAQFDODCZ-PVPMGCCUSA-N -1 1 577.058 6.463 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053336318 554341658 /nfs/dbraw/zinc/34/16/58/554341658.db2.gz HIBCNFLGJVVLRW-QHCPKHFHSA-N -1 1 549.004 5.918 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053336945 554341766 /nfs/dbraw/zinc/34/17/66/554341766.db2.gz YZQWXGBTXIVNCL-VWLOTQADSA-N -1 1 530.602 5.667 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000053336901 554341793 /nfs/dbraw/zinc/34/17/93/554341793.db2.gz TZWIOFFRPCDVQH-ZLOXQWCVSA-N -1 1 537.424 6.709 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053337256 554342028 /nfs/dbraw/zinc/34/20/28/554342028.db2.gz OCNRGNXMNIGZBG-OAQYLSRUSA-N -1 1 539.382 5.989 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053337143 554342088 /nfs/dbraw/zinc/34/20/88/554342088.db2.gz RNNWUVCNSWVOAV-BSEYFRJRSA-N -1 1 561.015 5.843 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053337998 554342365 /nfs/dbraw/zinc/34/23/65/554342365.db2.gz JPMUENKNBUIAFD-BSEYFRJRSA-N -1 1 543.557 5.319 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053340235 554344173 /nfs/dbraw/zinc/34/41/73/554344173.db2.gz DPGRUJSHXFNNGL-LJAQVGFWSA-N -1 1 584.694 7.036 50 30 KKEAMM Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Br)c3[O-])cc2)c1 ZINC000100539766 554412788 /nfs/dbraw/zinc/41/27/88/554412788.db2.gz KNAGVTYLQRXEIQ-KBVAKVRCSA-N -1 1 533.853 7.710 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000100580075 554424764 /nfs/dbraw/zinc/42/47/64/554424764.db2.gz HZLINTMBPGABGV-NRFANRHFSA-N -1 1 532.312 6.259 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000100603419 554431824 /nfs/dbraw/zinc/43/18/24/554431824.db2.gz YOWZRGPUTJZTCG-QHCPKHFHSA-N -1 1 596.042 5.629 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000100674880 554443343 /nfs/dbraw/zinc/44/33/43/554443343.db2.gz GNUSEKUPDRAQFO-DEOSSOPVSA-N -1 1 627.557 6.989 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100677689 554444607 /nfs/dbraw/zinc/44/46/07/554444607.db2.gz UAFZEYCMIXSGRI-QHCPKHFHSA-N -1 1 552.624 6.038 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000100677337 554444680 /nfs/dbraw/zinc/44/46/80/554444680.db2.gz VAJBLVZBNBVMHC-HSZRJFAPSA-N -1 1 534.609 6.148 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000100677337 554444682 /nfs/dbraw/zinc/44/46/82/554444682.db2.gz VAJBLVZBNBVMHC-HSZRJFAPSA-N -1 1 534.609 6.148 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000100679425 554445261 /nfs/dbraw/zinc/44/52/61/554445261.db2.gz QXUXFTMTSIADJG-XMMPIXPASA-N -1 1 580.659 5.607 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100679901 554445733 /nfs/dbraw/zinc/44/57/33/554445733.db2.gz XOUGQNJUQVUHPA-MUUNZHRXSA-N -1 1 636.767 7.024 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000100679962 554446068 /nfs/dbraw/zinc/44/60/68/554446068.db2.gz VNFHOLGWEJBYNR-MUUNZHRXSA-N -1 1 612.704 7.382 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000100680057 554446075 /nfs/dbraw/zinc/44/60/75/554446075.db2.gz VFUSHGIYHUWLBV-HXUWFJFHSA-N -1 1 528.428 5.571 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000100680240 554446205 /nfs/dbraw/zinc/44/62/05/554446205.db2.gz IWCRUUJZHDGFFB-DEOSSOPVSA-N -1 1 580.659 5.694 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccc(OC)c2)nc1C ZINC000100680366 554446403 /nfs/dbraw/zinc/44/64/03/554446403.db2.gz BKOVKFNRELTAIT-XMMPIXPASA-N -1 1 562.644 5.765 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCC=C)c(OC)c2)nc1C ZINC000100680384 554446465 /nfs/dbraw/zinc/44/64/65/554446465.db2.gz SXRQZGROTVDUCY-HHHXNRCGSA-N -1 1 618.708 6.330 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccnc2)nc1C ZINC000100680411 554446821 /nfs/dbraw/zinc/44/68/21/554446821.db2.gz HFYHAWNUDVCLJX-JOCHJYFZSA-N -1 1 533.606 5.151 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccc(F)c2)nc1C ZINC000100681045 554447203 /nfs/dbraw/zinc/44/72/03/554447203.db2.gz BZMOVZCYIHMLOW-HSZRJFAPSA-N -1 1 550.608 5.895 50 30 KKEAMM CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2O)cc1 ZINC000100815840 554476116 /nfs/dbraw/zinc/47/61/16/554476116.db2.gz XASAHZUMAJZHIX-UHFFFAOYSA-N -1 1 504.737 7.635 50 30 KKEAMM CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000100821784 554480829 /nfs/dbraw/zinc/48/08/29/554480829.db2.gz CXWAEEPEQWQNHH-UHFFFAOYSA-N -1 1 508.434 6.432 50 30 KKEAMM CCCCCCCCCCCCCCCCCCNC(=O)c1cc(S(=O)(=O)[O-])c2ccccc2c1O ZINC000100858605 554494134 /nfs/dbraw/zinc/49/41/34/554494134.db2.gz QKNCXJBBBPCOHP-UHFFFAOYSA-N -1 1 519.748 7.783 50 30 KKEAMM CCCCCCCCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000100872567 554501341 /nfs/dbraw/zinc/50/13/41/554501341.db2.gz UFIFTVUDXBKTBS-JCMHNJIXSA-N -1 1 537.534 7.279 50 30 KKEAMM CCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101025547 554563571 /nfs/dbraw/zinc/56/35/71/554563571.db2.gz MKUNYHIAHIKVBM-OCBJUFRSSA-N -1 1 528.649 6.486 50 30 KKEAMM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3cc(Br)ccc3O)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000101057613 554569722 /nfs/dbraw/zinc/56/97/22/554569722.db2.gz GQVPUNNDSQPNCV-FLUNURKVSA-N -1 1 596.242 5.310 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2Cl)no1 ZINC000101062662 554570647 /nfs/dbraw/zinc/57/06/47/554570647.db2.gz FMLJJOKGFCAXID-YDJIHCHBSA-N -1 1 515.791 6.014 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069796 554574405 /nfs/dbraw/zinc/57/44/05/554574405.db2.gz XBQQTKAEKDEPEB-JBCNATCCSA-N -1 1 505.393 5.994 50 30 KKEAMM O=C1C(=O)N(c2cccc(Br)c2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101069932 554574647 /nfs/dbraw/zinc/57/46/47/554574647.db2.gz VNSDGVMOAWJQTL-YDJIHCHBSA-N -1 1 513.185 5.838 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069932 554574648 /nfs/dbraw/zinc/57/46/48/554574648.db2.gz VNSDGVMOAWJQTL-YDJIHCHBSA-N -1 1 513.185 5.838 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072832 554576604 /nfs/dbraw/zinc/57/66/04/554576604.db2.gz ARURALXKMGMNSH-AYWGPLOBSA-N -1 1 563.429 5.765 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072832 554576606 /nfs/dbraw/zinc/57/66/06/554576606.db2.gz ARURALXKMGMNSH-AYWGPLOBSA-N -1 1 563.429 5.765 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101100183 554586883 /nfs/dbraw/zinc/58/68/83/554586883.db2.gz XXWNHTXNIFEWLG-HOGKFDNTSA-N -1 1 519.420 6.302 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101653 554638828 /nfs/dbraw/zinc/63/88/28/554638828.db2.gz LWNPYKKVOQDGHN-HFEWCJDKSA-N -1 1 519.420 6.302 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000101276771 554703333 /nfs/dbraw/zinc/70/33/33/554703333.db2.gz BWFPGFSAFLPNIV-MOBKVPTQSA-N -1 1 518.591 5.046 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000101277677 554703977 /nfs/dbraw/zinc/70/39/77/554703977.db2.gz MVXGKKSILZLAET-NXLSWJSLSA-N -1 1 560.672 6.035 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000101277774 554704108 /nfs/dbraw/zinc/70/41/08/554704108.db2.gz CPNBFJRSCRWHMF-HOGKFDNTSA-N -1 1 518.591 5.046 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000101277890 554704203 /nfs/dbraw/zinc/70/42/03/554704203.db2.gz DJZJPEFDAIQGNM-MRJHHRETSA-N -1 1 539.009 5.391 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000101278091 554704473 /nfs/dbraw/zinc/70/44/73/554704473.db2.gz NJMQCYIUAGVBQR-ZHHPLPSFSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000101278091 554704474 /nfs/dbraw/zinc/70/44/74/554704474.db2.gz NJMQCYIUAGVBQR-ZHHPLPSFSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000101278224 554704862 /nfs/dbraw/zinc/70/48/62/554704862.db2.gz LJXBQFNXDZLCPG-PMLJWHLSSA-N -1 1 551.020 5.397 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101293989 554710570 /nfs/dbraw/zinc/71/05/70/554710570.db2.gz VMRHOCTWBOIHMY-ZHHPLPSFSA-N -1 1 504.514 5.766 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294528 554711123 /nfs/dbraw/zinc/71/11/23/554711123.db2.gz DTUMBHBURWWHAN-AYWGPLOBSA-N -1 1 502.617 6.111 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294339 554711266 /nfs/dbraw/zinc/71/12/66/554711266.db2.gz QNCYSROSRFPRFL-IUKMQXEJSA-N -1 1 561.015 5.912 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294271 554711271 /nfs/dbraw/zinc/71/12/71/554711271.db2.gz IYUDZHPKSBRVPZ-WKUSSTJHSA-N -1 1 568.651 6.210 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000101310254 554717222 /nfs/dbraw/zinc/71/72/22/554717222.db2.gz WGMYAUMKMRAHFP-AMKIGSDESA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000101310254 554717223 /nfs/dbraw/zinc/71/72/23/554717223.db2.gz WGMYAUMKMRAHFP-AMKIGSDESA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310289 554717570 /nfs/dbraw/zinc/71/75/70/554717570.db2.gz CUWHZHXKQLWLAE-GBIFRDBCSA-N -1 1 598.677 6.218 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310284 554717618 /nfs/dbraw/zinc/71/76/18/554717618.db2.gz CUWHZHXKQLWLAE-GRBPGWBESA-N -1 1 598.677 6.218 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000101310277 554717658 /nfs/dbraw/zinc/71/76/58/554717658.db2.gz QXKFCTJBIICVGU-PDZZUNKHSA-N -1 1 586.641 6.349 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000101310277 554717660 /nfs/dbraw/zinc/71/76/60/554717660.db2.gz QXKFCTJBIICVGU-PDZZUNKHSA-N -1 1 586.641 6.349 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310410 554717805 /nfs/dbraw/zinc/71/78/05/554717805.db2.gz CUPJYDLIYNXPMD-IUKMQXEJSA-N -1 1 576.627 5.015 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313705 554722189 /nfs/dbraw/zinc/72/21/89/554722189.db2.gz DSCIFORAMALDTG-CIKQMSCWSA-N -1 1 560.628 5.143 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313705 554722190 /nfs/dbraw/zinc/72/21/90/554722190.db2.gz DSCIFORAMALDTG-CIKQMSCWSA-N -1 1 560.628 5.143 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000101313722 554722255 /nfs/dbraw/zinc/72/22/55/554722255.db2.gz YLCDUJXVEBOAGL-SSELITHESA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000101313722 554722257 /nfs/dbraw/zinc/72/22/57/554722257.db2.gz YLCDUJXVEBOAGL-SSELITHESA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000101316897 554724117 /nfs/dbraw/zinc/72/41/17/554724117.db2.gz OXKIEFSDSZCXRX-KXDYMIPJSA-N -1 1 597.718 6.345 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000101316864 554724124 /nfs/dbraw/zinc/72/41/24/554724124.db2.gz RUCPSDDNCMCQQJ-CJJGVWJISA-N -1 1 617.680 5.932 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000101338300 554735076 /nfs/dbraw/zinc/73/50/76/554735076.db2.gz XIUZOTVCNRUJEB-NDEPHWFRSA-N -1 1 609.704 7.853 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000101344364 554736694 /nfs/dbraw/zinc/73/66/94/554736694.db2.gz OUQVXBRTINMHGV-HHHXNRCGSA-N -1 1 597.693 7.223 50 30 KKEAMM COc1ccc(OC)c([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101376380 554746455 /nfs/dbraw/zinc/74/64/55/554746455.db2.gz NRYJBCQCHAOKQV-QFIPXVFZSA-N -1 1 538.069 5.933 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076601 554874858 /nfs/dbraw/zinc/87/48/58/554874858.db2.gz RAEKSADRALQULQ-XTUFCYCQSA-N -1 1 589.113 7.324 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076601 554874860 /nfs/dbraw/zinc/87/48/60/554874860.db2.gz RAEKSADRALQULQ-XTUFCYCQSA-N -1 1 589.113 7.324 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102486627 554938475 /nfs/dbraw/zinc/93/84/75/554938475.db2.gz YWEYECSHNIXHMA-ZHHPLPSFSA-N -1 1 596.042 5.472 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102491289 554939415 /nfs/dbraw/zinc/93/94/15/554939415.db2.gz OMSQQAVYGHMMCZ-ZHHPLPSFSA-N -1 1 534.565 5.478 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102493639 554940135 /nfs/dbraw/zinc/94/01/35/554940135.db2.gz GAPRIEXLSQFQNH-JBCNATCCSA-N -1 1 541.025 5.613 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102498996 554941562 /nfs/dbraw/zinc/94/15/62/554941562.db2.gz IODHWQYGKVXAJQ-SBXHHDGASA-N -1 1 516.575 5.339 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102501732 554943387 /nfs/dbraw/zinc/94/33/87/554943387.db2.gz WJKPQBCGTCRNEG-NXLSWJSLSA-N -1 1 516.575 5.257 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102502260 554943397 /nfs/dbraw/zinc/94/33/97/554943397.db2.gz FGSYWPMYLMFQSO-JBCNATCCSA-N -1 1 539.382 5.833 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102509465 554945770 /nfs/dbraw/zinc/94/57/70/554945770.db2.gz NWAZQLYGUUTXHU-AYWGPLOBSA-N -1 1 534.565 5.396 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102509465 554945773 /nfs/dbraw/zinc/94/57/73/554945773.db2.gz NWAZQLYGUUTXHU-AYWGPLOBSA-N -1 1 534.565 5.396 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102509676 554946056 /nfs/dbraw/zinc/94/60/56/554946056.db2.gz QFSJHZDVBZNSFV-ZHHPLPSFSA-N -1 1 504.539 5.469 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102520943 554949589 /nfs/dbraw/zinc/94/95/89/554949589.db2.gz GTFPQGOJJCYBDT-MRJHHRETSA-N -1 1 521.938 5.493 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102522350 554949877 /nfs/dbraw/zinc/94/98/77/554949877.db2.gz MVSVTSZBEUKEAR-UUALVTFQSA-N -1 1 614.676 5.769 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102522350 554949878 /nfs/dbraw/zinc/94/98/78/554949878.db2.gz MVSVTSZBEUKEAR-UUALVTFQSA-N -1 1 614.676 5.769 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000102522327 554949959 /nfs/dbraw/zinc/94/99/59/554949959.db2.gz HTCUVWXXKZJUKT-SBXHHDGASA-N -1 1 518.566 5.859 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102524067 554950904 /nfs/dbraw/zinc/95/09/04/554950904.db2.gz BXWOXQDHBZTYLR-NXLSWJSLSA-N -1 1 502.567 6.159 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000102526408 554952147 /nfs/dbraw/zinc/95/21/47/554952147.db2.gz XGQYZFAVKRWBME-WOOAAIBNSA-N -1 1 547.416 5.488 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102527122 554952532 /nfs/dbraw/zinc/95/25/32/554952532.db2.gz YSVGMYYKAPYGGU-ZZIWUOEGSA-N -1 1 535.021 6.210 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102531086 554953870 /nfs/dbraw/zinc/95/38/70/554953870.db2.gz KUZKDNGBJSDSIU-IUKMQXEJSA-N -1 1 530.602 5.729 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102531086 554953872 /nfs/dbraw/zinc/95/38/72/554953872.db2.gz KUZKDNGBJSDSIU-IUKMQXEJSA-N -1 1 530.602 5.729 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102532914 554954764 /nfs/dbraw/zinc/95/47/64/554954764.db2.gz WAUFAOJREBAWGA-HOGKFDNTSA-N -1 1 506.967 5.593 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102536310 554955650 /nfs/dbraw/zinc/95/56/50/554955650.db2.gz CMSIITJRWWGINW-UUALVTFQSA-N -1 1 614.676 5.856 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102539408 554956974 /nfs/dbraw/zinc/95/69/74/554956974.db2.gz SOAYPZBZCUOISZ-AYWGPLOBSA-N -1 1 531.546 5.238 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102541208 554957416 /nfs/dbraw/zinc/95/74/16/554957416.db2.gz NANMRPBCPJYICC-ZHHPLPSFSA-N -1 1 504.995 6.283 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102541208 554957417 /nfs/dbraw/zinc/95/74/17/554957417.db2.gz NANMRPBCPJYICC-ZHHPLPSFSA-N -1 1 504.995 6.283 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102543280 554958192 /nfs/dbraw/zinc/95/81/92/554958192.db2.gz YDPAUDRJMSVAMI-CJJGVWJISA-N -1 1 600.649 5.466 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102545235 554958746 /nfs/dbraw/zinc/95/87/46/554958746.db2.gz DWXADWUZUJCYGA-OUDMSJPASA-N -1 1 540.641 6.262 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000102545641 554959039 /nfs/dbraw/zinc/95/90/39/554959039.db2.gz GNNFARCFDRFMIP-KWBQTAPJSA-N -1 1 575.484 6.625 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000102545834 554959102 /nfs/dbraw/zinc/95/91/02/554959102.db2.gz XDVKSIDDZUKSEI-XVTRYDTASA-N -1 1 620.152 6.832 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000102545756 554959121 /nfs/dbraw/zinc/95/91/21/554959121.db2.gz DQHAMZZHUJPQHJ-HOGKFDNTSA-N -1 1 549.948 5.255 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102547430 554959962 /nfs/dbraw/zinc/95/99/62/554959962.db2.gz CECIJFWGVKLNEO-CJJGVWJISA-N -1 1 526.614 6.056 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102551380 554961994 /nfs/dbraw/zinc/96/19/94/554961994.db2.gz JJQBQLNPHNFHHE-GMBUILNLSA-N -1 1 516.550 5.394 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102554069 554963378 /nfs/dbraw/zinc/96/33/78/554963378.db2.gz MFIOCYLUGPBFDX-IZSGBISHSA-N -1 1 614.720 6.832 50 30 KKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccc(O)cc1 ZINC000102555901 554964386 /nfs/dbraw/zinc/96/43/86/554964386.db2.gz MNZFGGHGPKVYSQ-LFVOPCPISA-N -1 1 507.618 5.224 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102556526 554964670 /nfs/dbraw/zinc/96/46/70/554964670.db2.gz KPTNLZOWTILMRI-RIEKNRFYSA-N -1 1 612.748 7.522 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102556083 554964733 /nfs/dbraw/zinc/96/47/33/554964733.db2.gz HIKLZJMTTJPYPL-ZDZPXDOOSA-N -1 1 558.612 5.359 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102559884 554967241 /nfs/dbraw/zinc/96/72/41/554967241.db2.gz PUNSBCOZYYCYSA-DFXXOVSGSA-N -1 1 597.048 7.140 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102562117 554968659 /nfs/dbraw/zinc/96/86/59/554968659.db2.gz JDKJQRWSMZONRS-NXLSVDECSA-N -1 1 633.166 7.723 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102562117 554968662 /nfs/dbraw/zinc/96/86/62/554968662.db2.gz JDKJQRWSMZONRS-NXLSVDECSA-N -1 1 633.166 7.723 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102562914 554968935 /nfs/dbraw/zinc/96/89/35/554968935.db2.gz HIHZUBYQRGJXSN-SVNRFNMRSA-N -1 1 570.667 6.490 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102563568 554969111 /nfs/dbraw/zinc/96/91/11/554969111.db2.gz FRCSDTSAPPYJJD-LHKMDIPOSA-N -1 1 584.694 6.824 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102563525 554969151 /nfs/dbraw/zinc/96/91/51/554969151.db2.gz PAABTJQOSWTHBD-HAQIDCBSSA-N -1 1 530.577 5.784 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102563525 554969152 /nfs/dbraw/zinc/96/91/52/554969152.db2.gz PAABTJQOSWTHBD-HAQIDCBSSA-N -1 1 530.577 5.784 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102578766 554971690 /nfs/dbraw/zinc/97/16/90/554971690.db2.gz NKIMSCYZXSSDFA-ZHHPLPSFSA-N -1 1 561.616 5.367 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(O)c2)s1 ZINC000102584119 554972744 /nfs/dbraw/zinc/97/27/44/554972744.db2.gz SZFWHPDKXNZWNQ-SBXHHDGASA-N -1 1 513.575 5.066 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102586686 554973328 /nfs/dbraw/zinc/97/33/28/554973328.db2.gz ATMHPCNGIXYPLZ-ONQGDUAMSA-N -1 1 585.638 5.222 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102590449 554973804 /nfs/dbraw/zinc/97/38/04/554973804.db2.gz CDTDKIKXMVTYGJ-CZNAVJSXSA-N -1 1 603.697 6.490 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102597709 554977150 /nfs/dbraw/zinc/97/71/50/554977150.db2.gz SGNBHFLAHISLHQ-CZNAVJSXSA-N -1 1 601.706 6.017 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000102598572 554977397 /nfs/dbraw/zinc/97/73/97/554977397.db2.gz FDKIWNXGOAIYNU-NPJIAGGLSA-N -1 1 622.124 6.280 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102598901 554977429 /nfs/dbraw/zinc/97/74/29/554977429.db2.gz IGHWROWUBAYKIH-WRPQUVRJSA-N -1 1 594.089 6.573 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102600592 554977644 /nfs/dbraw/zinc/97/76/44/554977644.db2.gz TYYVOUWXXDTTBI-TXTDGAROSA-N -1 1 629.760 6.797 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000102602816 554978189 /nfs/dbraw/zinc/97/81/89/554978189.db2.gz PMEKKOHHBFCNGD-TXTDGAROSA-N -1 1 623.712 6.390 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102605990 554978757 /nfs/dbraw/zinc/97/87/57/554978757.db2.gz SXINAUJAQVTOLW-BFLOGMOSSA-N -1 1 524.598 5.672 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102605990 554978759 /nfs/dbraw/zinc/97/87/59/554978759.db2.gz SXINAUJAQVTOLW-BFLOGMOSSA-N -1 1 524.598 5.672 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)s2)cc1 ZINC000102605906 554978891 /nfs/dbraw/zinc/97/88/91/554978891.db2.gz RYQRRBDWWULGDM-NXLSWJSLSA-N -1 1 592.098 6.190 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000102606164 554979041 /nfs/dbraw/zinc/97/90/41/554979041.db2.gz WDEVPHKYIARATE-SANMLTNESA-N -1 1 557.628 5.534 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102610859 554980855 /nfs/dbraw/zinc/98/08/55/554980855.db2.gz CLGRYCDXHRLMKM-ONQGDUAMSA-N -1 1 572.639 5.881 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102610859 554980856 /nfs/dbraw/zinc/98/08/56/554980856.db2.gz CLGRYCDXHRLMKM-ONQGDUAMSA-N -1 1 572.639 5.881 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102611945 554981726 /nfs/dbraw/zinc/98/17/26/554981726.db2.gz WZZCXJPVAZUMLG-NPJIAGGLSA-N -1 1 605.669 5.766 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000102618789 554985583 /nfs/dbraw/zinc/98/55/83/554985583.db2.gz OPFKIJOFEDPWME-HOGKFDNTSA-N -1 1 517.887 6.002 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102621257 554987086 /nfs/dbraw/zinc/98/70/86/554987086.db2.gz RRJRXYUKRBHSHM-DFXXOVSGSA-N -1 1 629.760 6.715 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@H]2c2ccc(OCC=C)cc2)nc1C ZINC000102622240 554987370 /nfs/dbraw/zinc/98/73/70/554987370.db2.gz VUODOMBOSOMISA-RUZDIDTESA-N -1 1 574.655 5.849 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(OCC=C)cc2)nc1C ZINC000102622240 554987371 /nfs/dbraw/zinc/98/73/71/554987371.db2.gz VUODOMBOSOMISA-RUZDIDTESA-N -1 1 574.655 5.849 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102622291 554987387 /nfs/dbraw/zinc/98/73/87/554987387.db2.gz SRCRHELPRPYMBF-XMMPIXPASA-N -1 1 578.643 5.389 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000102644817 554991651 /nfs/dbraw/zinc/99/16/51/554991651.db2.gz UAZDRRZARBCXJA-IUKMQXEJSA-N -1 1 527.602 5.369 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102651014 554995983 /nfs/dbraw/zinc/99/59/83/554995983.db2.gz PJNOVRZOJRHLLL-UUALVTFQSA-N -1 1 614.676 5.856 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102651014 554995985 /nfs/dbraw/zinc/99/59/85/554995985.db2.gz PJNOVRZOJRHLLL-UUALVTFQSA-N -1 1 614.676 5.856 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102651705 554996071 /nfs/dbraw/zinc/99/60/71/554996071.db2.gz QMJJHSVWTXLMMS-WRPQUVRJSA-N -1 1 517.006 6.208 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102651517 554996130 /nfs/dbraw/zinc/99/61/30/554996130.db2.gz PGLWOUMMOXGRTE-JBODOUGHSA-N -1 1 581.477 6.952 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102651831 554996147 /nfs/dbraw/zinc/99/61/47/554996147.db2.gz VQNKEPRGKMLWSR-CNVPOXKWSA-N -1 1 612.748 7.440 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102651757 554996165 /nfs/dbraw/zinc/99/61/65/554996165.db2.gz RVHBXHZTVNQCNK-CJJGVWJISA-N -1 1 558.612 5.491 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102651757 554996168 /nfs/dbraw/zinc/99/61/68/554996168.db2.gz RVHBXHZTVNQCNK-CJJGVWJISA-N -1 1 558.612 5.491 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102652422 554996561 /nfs/dbraw/zinc/99/65/61/554996561.db2.gz UFNUIJGCQJZVHC-TXTDGAROSA-N -1 1 570.667 6.571 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)sc2c1 ZINC000102653122 554997185 /nfs/dbraw/zinc/99/71/85/554997185.db2.gz SANVYHBHTLXTHM-OGHRCCBNSA-N -1 1 512.587 5.645 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102653479 554997208 /nfs/dbraw/zinc/99/72/08/554997208.db2.gz DWCMJODTUSFBCY-UZGIXAGNSA-N -1 1 574.658 7.347 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102653991 554997434 /nfs/dbraw/zinc/99/74/34/554997434.db2.gz AFCBXSBZWIIEOU-YMCWBSDSSA-N -1 1 520.969 6.039 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102653995 554997482 /nfs/dbraw/zinc/99/74/82/554997482.db2.gz AFCBXSBZWIIEOU-XLNMUAQOSA-N -1 1 520.969 6.039 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000102654280 554997722 /nfs/dbraw/zinc/99/77/22/554997722.db2.gz VBLZKRPHIIHGBV-SBXHHDGASA-N -1 1 595.029 5.373 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102655710 554998340 /nfs/dbraw/zinc/99/83/40/554998340.db2.gz ICJBSHULJCAZFF-UZGIXAGNSA-N -1 1 598.721 7.132 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102655750 554998618 /nfs/dbraw/zinc/99/86/18/554998618.db2.gz ASSWTIKYSWKHEJ-XKNZNLGKSA-N -1 1 583.666 5.774 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102655750 554998620 /nfs/dbraw/zinc/99/86/20/554998620.db2.gz ASSWTIKYSWKHEJ-XKNZNLGKSA-N -1 1 583.666 5.774 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102655901 554998651 /nfs/dbraw/zinc/99/86/51/554998651.db2.gz UXGRPSNYHSLLJZ-XXAHXYPMSA-N -1 1 604.684 6.834 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102655960 554998757 /nfs/dbraw/zinc/99/87/57/554998757.db2.gz KUWBIPVPBQHEKA-QNIVJUIWSA-N -1 1 512.587 5.563 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102674403 555003505 /nfs/dbraw/zinc/00/35/05/555003505.db2.gz SXINAUJAQVTOLW-PLWHFILJSA-N -1 1 524.598 5.672 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102674403 555003507 /nfs/dbraw/zinc/00/35/07/555003507.db2.gz SXINAUJAQVTOLW-PLWHFILJSA-N -1 1 524.598 5.672 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102680771 555005232 /nfs/dbraw/zinc/00/52/32/555005232.db2.gz JHQYXTFUCUPEGS-XTUFCYCQSA-N -1 1 609.704 7.072 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102690271 555008072 /nfs/dbraw/zinc/00/80/72/555008072.db2.gz AVBKNRREHSGCDE-NXLSWJSLSA-N -1 1 519.022 6.537 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102690271 555008073 /nfs/dbraw/zinc/00/80/73/555008073.db2.gz AVBKNRREHSGCDE-NXLSWJSLSA-N -1 1 519.022 6.537 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102691136 555008288 /nfs/dbraw/zinc/00/82/88/555008288.db2.gz ILMMBKFOOREJHO-IUKMQXEJSA-N -1 1 514.603 6.028 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102691452 555008660 /nfs/dbraw/zinc/00/86/60/555008660.db2.gz JZCWFGBQCFVYJA-ZHHPLPSFSA-N -1 1 515.547 5.456 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102694662 555009742 /nfs/dbraw/zinc/00/97/42/555009742.db2.gz QVRLYDBQUUSADW-ZHHPLPSFSA-N -1 1 535.021 6.156 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102694662 555009744 /nfs/dbraw/zinc/00/97/44/555009744.db2.gz QVRLYDBQUUSADW-ZHHPLPSFSA-N -1 1 535.021 6.156 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102699170 555012461 /nfs/dbraw/zinc/01/24/61/555012461.db2.gz NMSXRWANWOSLSQ-SBXHHDGASA-N -1 1 518.566 5.641 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102699170 555012462 /nfs/dbraw/zinc/01/24/62/555012462.db2.gz NMSXRWANWOSLSQ-SBXHHDGASA-N -1 1 518.566 5.641 50 30 KKEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000102704961 555014362 /nfs/dbraw/zinc/01/43/62/555014362.db2.gz QXWZMJUCTOQPQB-MOBKVPTQSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000102704961 555014363 /nfs/dbraw/zinc/01/43/63/555014363.db2.gz QXWZMJUCTOQPQB-MOBKVPTQSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1C ZINC000102705541 555014374 /nfs/dbraw/zinc/01/43/74/555014374.db2.gz BXPWCXLDGWWVNQ-NXLSWJSLSA-N -1 1 530.602 5.565 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000102705871 555014640 /nfs/dbraw/zinc/01/46/40/555014640.db2.gz AQYBSVUVKJMOFN-COUQNMRISA-N -1 1 504.995 6.201 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102706136 555014678 /nfs/dbraw/zinc/01/46/78/555014678.db2.gz KKOHCGAXQOCPFV-GAPOMRBKSA-N -1 1 528.630 6.337 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102708948 555015882 /nfs/dbraw/zinc/01/58/82/555015882.db2.gz SVIVMSHLEJRRNW-IUKMQXEJSA-N -1 1 542.613 5.670 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102708948 555015885 /nfs/dbraw/zinc/01/58/85/555015885.db2.gz SVIVMSHLEJRRNW-IUKMQXEJSA-N -1 1 542.613 5.670 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102710135 555016407 /nfs/dbraw/zinc/01/64/07/555016407.db2.gz BTAWAUNUOGWUFA-ZHHPLPSFSA-N -1 1 515.547 5.456 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102710760 555016421 /nfs/dbraw/zinc/01/64/21/555016421.db2.gz ODHRLFOLMJIUEQ-MRJHHRETSA-N -1 1 523.408 6.149 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102710139 555016466 /nfs/dbraw/zinc/01/64/66/555016466.db2.gz BTAWAUNUOGWUFA-AYWGPLOBSA-N -1 1 515.547 5.456 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102715015 555018324 /nfs/dbraw/zinc/01/83/24/555018324.db2.gz MISBRRRXGJIDEY-UUALVTFQSA-N -1 1 510.546 6.190 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102715015 555018325 /nfs/dbraw/zinc/01/83/25/555018325.db2.gz MISBRRRXGJIDEY-UUALVTFQSA-N -1 1 510.546 6.190 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102715653 555018668 /nfs/dbraw/zinc/01/86/68/555018668.db2.gz GAECCLWPIJRYMC-NPJIAGGLSA-N -1 1 530.602 5.565 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102717145 555019365 /nfs/dbraw/zinc/01/93/65/555019365.db2.gz RCBYLTDSNHMKCM-YDJIHCHBSA-N -1 1 525.449 6.309 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102719216 555019586 /nfs/dbraw/zinc/01/95/86/555019586.db2.gz MAVHYCQQGALTDE-AYWGPLOBSA-N -1 1 515.547 5.402 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102719216 555019589 /nfs/dbraw/zinc/01/95/89/555019589.db2.gz MAVHYCQQGALTDE-AYWGPLOBSA-N -1 1 515.547 5.402 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102718947 555019649 /nfs/dbraw/zinc/01/96/49/555019649.db2.gz IUGXMXAOEDRMEL-NXLSWJSLSA-N -1 1 546.601 5.265 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102718767 555019754 /nfs/dbraw/zinc/01/97/54/555019754.db2.gz BEIAUMFHTPAQJS-NXLSWJSLSA-N -1 1 528.586 5.335 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102729597 555023214 /nfs/dbraw/zinc/02/32/14/555023214.db2.gz CNEWTBKKDQSXID-AYWGPLOBSA-N -1 1 504.633 6.335 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735481 555025429 /nfs/dbraw/zinc/02/54/29/555025429.db2.gz PQDRAEMNTKPHRV-NXLSVDECSA-N -1 1 609.103 7.478 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735481 555025431 /nfs/dbraw/zinc/02/54/31/555025431.db2.gz PQDRAEMNTKPHRV-NXLSVDECSA-N -1 1 609.103 7.478 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735480 555025600 /nfs/dbraw/zinc/02/56/00/555025600.db2.gz PQDRAEMNTKPHRV-VDGASQMCSA-N -1 1 609.103 7.478 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735480 555025601 /nfs/dbraw/zinc/02/56/01/555025601.db2.gz PQDRAEMNTKPHRV-VDGASQMCSA-N -1 1 609.103 7.478 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000102736997 555026376 /nfs/dbraw/zinc/02/63/76/555026376.db2.gz GODSRMBHFPUGCQ-XLNMUAQOSA-N -1 1 518.978 5.605 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000102736997 555026379 /nfs/dbraw/zinc/02/63/79/555026379.db2.gz GODSRMBHFPUGCQ-XLNMUAQOSA-N -1 1 518.978 5.605 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736970 555026440 /nfs/dbraw/zinc/02/64/40/555026440.db2.gz TWAIIZIRKRLBJO-WGQAXHKASA-N -1 1 543.557 5.163 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102737015 555026724 /nfs/dbraw/zinc/02/67/24/555026724.db2.gz HZBMRQDECDMLNG-JFTLGNCFSA-N -1 1 557.584 5.553 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770806 555058183 /nfs/dbraw/zinc/05/81/83/555058183.db2.gz MYNPSRVRPGBLNR-RSERVXPISA-N -1 1 555.414 6.692 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102770972 555058998 /nfs/dbraw/zinc/05/89/98/555058998.db2.gz GVNXIBLUDSRLRG-ZLYDLHQSSA-N -1 1 583.735 6.904 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102770972 555059001 /nfs/dbraw/zinc/05/90/01/555059001.db2.gz GVNXIBLUDSRLRG-ZLYDLHQSSA-N -1 1 583.735 6.904 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102770981 555059016 /nfs/dbraw/zinc/05/90/16/555059016.db2.gz RXJGTPYEQMADRS-JVJOXMINSA-N -1 1 618.180 7.557 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102770981 555059019 /nfs/dbraw/zinc/05/90/19/555059019.db2.gz RXJGTPYEQMADRS-JVJOXMINSA-N -1 1 618.180 7.557 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102770950 555059068 /nfs/dbraw/zinc/05/90/68/555059068.db2.gz RANMIEHHWOVNED-YFVVEFNMSA-N -1 1 597.762 7.212 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102770950 555059070 /nfs/dbraw/zinc/05/90/70/555059070.db2.gz RANMIEHHWOVNED-YFVVEFNMSA-N -1 1 597.762 7.212 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771070 555059336 /nfs/dbraw/zinc/05/93/36/555059336.db2.gz PVQYELIFUBRXEV-XLNMUAQOSA-N -1 1 520.969 6.039 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000102771109 555059658 /nfs/dbraw/zinc/05/96/58/555059658.db2.gz KSIJWZJCDYZFEB-XLNMUAQOSA-N -1 1 520.969 6.039 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000102771187 555059661 /nfs/dbraw/zinc/05/96/61/555059661.db2.gz ZOZYALPVZXONLJ-RKQXULEVSA-N -1 1 512.587 5.568 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102771137 555059676 /nfs/dbraw/zinc/05/96/76/555059676.db2.gz PHGPWOXZHLYLPG-AIKCTZLLSA-N -1 1 527.558 5.463 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)s2)cc1 ZINC000102771302 555059980 /nfs/dbraw/zinc/05/99/80/555059980.db2.gz BQXRHKGOCCDQNE-IIHDFJPDSA-N -1 1 590.126 6.742 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771314 555060019 /nfs/dbraw/zinc/06/00/19/555060019.db2.gz PBDLXELTLIFQJU-BBHOXHGRSA-N -1 1 594.089 6.573 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771272 555060060 /nfs/dbraw/zinc/06/00/60/555060060.db2.gz LMIYFPDDGYERDB-YMCWBSDSSA-N -1 1 537.424 6.553 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102771329 555060248 /nfs/dbraw/zinc/06/02/48/555060248.db2.gz ADPNXSATEHZAJK-ZTLVYLBESA-N -1 1 531.033 6.516 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102857006 555088330 /nfs/dbraw/zinc/08/83/30/555088330.db2.gz MLMUPUUDKVEUJS-HOGKFDNTSA-N -1 1 541.412 6.247 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102862025 555091929 /nfs/dbraw/zinc/09/19/29/555091929.db2.gz QZMXZKSYYRESPX-CZNAVJSXSA-N -1 1 617.705 6.116 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102863374 555093193 /nfs/dbraw/zinc/09/31/93/555093193.db2.gz DLWZBESOHXRPLD-CZNAVJSXSA-N -1 1 542.657 6.627 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102864645 555094262 /nfs/dbraw/zinc/09/42/62/555094262.db2.gz INGHHEZUPMHRJC-HFEWCJDKSA-N -1 1 502.548 5.227 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102864645 555094264 /nfs/dbraw/zinc/09/42/64/555094264.db2.gz INGHHEZUPMHRJC-HFEWCJDKSA-N -1 1 502.548 5.227 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000102866553 555095748 /nfs/dbraw/zinc/09/57/48/555095748.db2.gz KDEAEOWSAUDZPZ-GHNGSUTGSA-N -1 1 527.396 5.017 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000102866847 555096029 /nfs/dbraw/zinc/09/60/29/555096029.db2.gz JFNDIMOFRWZJEN-CGKJMNDRSA-N -1 1 528.586 5.269 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102867321 555096616 /nfs/dbraw/zinc/09/66/16/555096616.db2.gz INOQUTBQBYJUQU-NPJIAGGLSA-N -1 1 528.586 5.401 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102867163 555096632 /nfs/dbraw/zinc/09/66/32/555096632.db2.gz UELHJSVIOGKXAE-LLAWDOGUSA-N -1 1 556.640 6.043 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102867409 555096977 /nfs/dbraw/zinc/09/69/77/555096977.db2.gz GOBMUBCWDWJZOW-YYXRCVDTSA-N -1 1 577.058 6.307 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102867415 555096986 /nfs/dbraw/zinc/09/69/86/555096986.db2.gz GOBMUBCWDWJZOW-FZIUWASMSA-N -1 1 577.058 6.307 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102869143 555098488 /nfs/dbraw/zinc/09/84/88/555098488.db2.gz PWOVAFUHCJHMPF-HAQIDCBSSA-N -1 1 514.578 5.948 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870033 555099684 /nfs/dbraw/zinc/09/96/84/555099684.db2.gz DINGZXPGZDTWAZ-WBMUNJTESA-N -1 1 540.597 5.341 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102869909 555099755 /nfs/dbraw/zinc/09/97/55/555099755.db2.gz FALOVJUBMUJRHH-LXIOPLLASA-N -1 1 546.576 5.402 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102869909 555099756 /nfs/dbraw/zinc/09/97/56/555099756.db2.gz FALOVJUBMUJRHH-LXIOPLLASA-N -1 1 546.576 5.402 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102870059 555100121 /nfs/dbraw/zinc/10/01/21/555100121.db2.gz BGPDUHYKNOFSDC-BFLOGMOSSA-N -1 1 590.698 6.003 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102870059 555100123 /nfs/dbraw/zinc/10/01/23/555100123.db2.gz BGPDUHYKNOFSDC-BFLOGMOSSA-N -1 1 590.698 6.003 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102870200 555100384 /nfs/dbraw/zinc/10/03/84/555100384.db2.gz KWCDCQNRJQBABT-NYFCFKJUSA-N -1 1 602.684 6.819 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102870200 555100387 /nfs/dbraw/zinc/10/03/87/555100387.db2.gz KWCDCQNRJQBABT-NYFCFKJUSA-N -1 1 602.684 6.819 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102870841 555101212 /nfs/dbraw/zinc/10/12/12/555101212.db2.gz XVJHRXTXENMZIX-CJJGVWJISA-N -1 1 544.629 5.901 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000102871340 555101881 /nfs/dbraw/zinc/10/18/81/555101881.db2.gz AUJMPQWYICKDBR-NXLSWJSLSA-N -1 1 500.551 5.796 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102874569 555104561 /nfs/dbraw/zinc/10/45/61/555104561.db2.gz 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ZINC000102882907 555111403 /nfs/dbraw/zinc/11/14/03/555111403.db2.gz QPUGTNJIYCUKMK-ZHHPLPSFSA-N -1 1 520.538 5.088 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102883491 555112073 /nfs/dbraw/zinc/11/20/73/555112073.db2.gz SHHLDHWGMTTXOK-UDAHOJRSSA-N -1 1 542.613 5.577 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102884672 555114220 /nfs/dbraw/zinc/11/42/20/555114220.db2.gz VJRUVOHCRTVLLJ-ZZIWUOEGSA-N -1 1 543.557 5.219 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102884672 555114222 /nfs/dbraw/zinc/11/42/22/555114222.db2.gz VJRUVOHCRTVLLJ-ZZIWUOEGSA-N -1 1 543.557 5.219 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102884719 555114239 /nfs/dbraw/zinc/11/42/39/555114239.db2.gz CBIMUKNYNYMTQB-IUKMQXEJSA-N -1 1 599.621 5.660 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102884815 555114410 /nfs/dbraw/zinc/11/44/10/555114410.db2.gz UQDIHFJFKMIMQQ-QBCYBHDASA-N -1 1 568.695 7.123 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102884881 555114793 /nfs/dbraw/zinc/11/47/93/555114793.db2.gz CHPGYZBORIXQJL-SBXHHDGASA-N -1 1 517.006 6.310 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102884877 555114861 /nfs/dbraw/zinc/11/48/61/555114861.db2.gz CHPGYZBORIXQJL-NXLSWJSLSA-N -1 1 517.006 6.310 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccc(O)cc1)c1ccccc1 ZINC000102885067 555115149 /nfs/dbraw/zinc/11/51/49/555115149.db2.gz YFKGHZHUZYLWMN-MRJHHRETSA-N -1 1 501.589 5.162 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccc(O)cc1)c1ccccc1 ZINC000102885065 555115161 /nfs/dbraw/zinc/11/51/61/555115161.db2.gz YFKGHZHUZYLWMN-JBCNATCCSA-N -1 1 501.589 5.162 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102886066 555116316 /nfs/dbraw/zinc/11/63/16/555116316.db2.gz LRAVKVKLASRJQM-JRPVAJNPSA-N -1 1 591.483 6.407 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102886061 555116365 /nfs/dbraw/zinc/11/63/65/555116365.db2.gz LRAVKVKLASRJQM-CGKJMNDRSA-N -1 1 591.483 6.407 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102886511 555117034 /nfs/dbraw/zinc/11/70/34/555117034.db2.gz ZQXUWSYQDGMJKD-KNZGKXHUSA-N -1 1 561.015 5.686 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccs3)sc2c1 ZINC000102887277 555118439 /nfs/dbraw/zinc/11/84/39/555118439.db2.gz YHCSAOMNLDRWJU-HOGKFDNTSA-N -1 1 520.588 5.154 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102887291 555118819 /nfs/dbraw/zinc/11/88/19/555118819.db2.gz UQRFWAPZBXUMTG-NYFCFKJUSA-N -1 1 600.693 6.442 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102887291 555118820 /nfs/dbraw/zinc/11/88/20/555118820.db2.gz UQRFWAPZBXUMTG-NYFCFKJUSA-N -1 1 600.693 6.442 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102887331 555118841 /nfs/dbraw/zinc/11/88/41/555118841.db2.gz XFDOTNDIYJSVSS-OGHRCCBNSA-N -1 1 592.670 5.375 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102887331 555118843 /nfs/dbraw/zinc/11/88/43/555118843.db2.gz XFDOTNDIYJSVSS-OGHRCCBNSA-N -1 1 592.670 5.375 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102887526 555119542 /nfs/dbraw/zinc/11/95/42/555119542.db2.gz IMBQIJCISUWLOK-YYXRCVDTSA-N -1 1 558.612 5.272 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102887563 555119612 /nfs/dbraw/zinc/11/96/12/555119612.db2.gz BCISEXAPTLXODK-YSJQHINGSA-N -1 1 628.747 7.078 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102887563 555119614 /nfs/dbraw/zinc/11/96/14/555119614.db2.gz BCISEXAPTLXODK-YSJQHINGSA-N -1 1 628.747 7.078 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(Br)cn3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102887957 555120502 /nfs/dbraw/zinc/12/05/02/555120502.db2.gz SDMGYVAKCMSBID-JBCNATCCSA-N -1 1 558.226 5.632 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102888078 555120812 /nfs/dbraw/zinc/12/08/12/555120812.db2.gz RULBUNOIEMKQIE-JFTLGNCFSA-N -1 1 528.586 5.263 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102888629 555121753 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Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccncc2)o1 ZINC000102888970 555122691 /nfs/dbraw/zinc/12/26/91/555122691.db2.gz FICRXUJVGOLQHQ-NHFXJNLRSA-N -1 1 504.593 5.062 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888952 555122895 /nfs/dbraw/zinc/12/28/95/555122895.db2.gz CHQCVWBAMOCWKO-QMDVFYPZSA-N -1 1 584.694 6.824 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102889681 555124305 /nfs/dbraw/zinc/12/43/05/555124305.db2.gz IJBNXKVFNQTNGO-ONQGDUAMSA-N -1 1 582.678 6.314 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102889824 555124418 /nfs/dbraw/zinc/12/44/18/555124418.db2.gz PHRDDWPSSRJDNT-WGQAXHKASA-N -1 1 516.550 5.394 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102889824 555124421 /nfs/dbraw/zinc/12/44/21/555124421.db2.gz PHRDDWPSSRJDNT-WGQAXHKASA-N -1 1 516.550 5.394 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102890131 555124971 /nfs/dbraw/zinc/12/49/71/555124971.db2.gz WVUJLQSISKMJIO-XKNZNLGKSA-N -1 1 568.695 6.942 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102890227 555125280 /nfs/dbraw/zinc/12/52/80/555125280.db2.gz HOXAEDYQXMPAGZ-SBXHHDGASA-N -1 1 527.558 5.565 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1C ZINC000102890560 555125967 /nfs/dbraw/zinc/12/59/67/555125967.db2.gz NFAPDPFRHQOYFS-AYWGPLOBSA-N -1 1 534.634 5.742 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1C ZINC000102890560 555125970 /nfs/dbraw/zinc/12/59/70/555125970.db2.gz NFAPDPFRHQOYFS-AYWGPLOBSA-N -1 1 534.634 5.742 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102891094 555126879 /nfs/dbraw/zinc/12/68/79/555126879.db2.gz AIVIMROTDBANQX-XKNZNLGKSA-N -1 1 554.668 6.768 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000102892396 555128709 /nfs/dbraw/zinc/12/87/09/555128709.db2.gz OEQHJPVULFMRLI-XTODBVILSA-N -1 1 621.509 6.340 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102892717 555129044 /nfs/dbraw/zinc/12/90/44/555129044.db2.gz YXHABXSFOQDFLG-WGQAXHKASA-N -1 1 544.560 5.172 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102892995 555129632 /nfs/dbraw/zinc/12/96/32/555129632.db2.gz YXDGQACNXSIEDZ-WYNCGZBVSA-N -1 1 610.688 6.157 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102892995 555129635 /nfs/dbraw/zinc/12/96/35/555129635.db2.gz YXDGQACNXSIEDZ-WYNCGZBVSA-N -1 1 610.688 6.157 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893630 555131375 /nfs/dbraw/zinc/13/13/75/555131375.db2.gz HBLHPJWNWZFGQP-ONQGDUAMSA-N -1 1 588.638 5.500 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102894000 555132014 /nfs/dbraw/zinc/13/20/14/555132014.db2.gz KCMYPNPNDFSGBE-ZZIWUOEGSA-N -1 1 567.450 6.617 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102894168 555132029 /nfs/dbraw/zinc/13/20/29/555132029.db2.gz GYHBRMFWTZADKJ-AYWGPLOBSA-N -1 1 502.523 5.141 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102894168 555132031 /nfs/dbraw/zinc/13/20/31/555132031.db2.gz GYHBRMFWTZADKJ-AYWGPLOBSA-N -1 1 502.523 5.141 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102894269 555132321 /nfs/dbraw/zinc/13/23/21/555132321.db2.gz ZAAPLIVPEWJEMQ-QBTYMPIYSA-N -1 1 540.641 6.378 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102894867 555133215 /nfs/dbraw/zinc/13/32/15/555133215.db2.gz NNHQTLOKAKBSEC-UUALVTFQSA-N -1 1 572.639 5.881 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102894867 555133217 /nfs/dbraw/zinc/13/32/17/555133217.db2.gz NNHQTLOKAKBSEC-UUALVTFQSA-N -1 1 572.639 5.881 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102894813 555133248 /nfs/dbraw/zinc/13/32/48/555133248.db2.gz FUMLLSFZGQGDBO-CNVPOXKWSA-N -1 1 612.748 7.440 50 30 KKEAMM CCCCCCCCN1C(=O)N(c2cccc3ccccc32)[C@H](N([O-])C(=O)Nc2cccc3ccccc32)C1(C)C ZINC000102895185 555133799 /nfs/dbraw/zinc/13/37/99/555133799.db2.gz ULVFHSZJTVNNJB-WJOKGBTCSA-N -1 1 552.719 8.624 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102895648 555134899 /nfs/dbraw/zinc/13/48/99/555134899.db2.gz LMQXEFVJGNISHN-HYVCFMKYSA-N -1 1 584.694 6.824 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102895765 555135248 /nfs/dbraw/zinc/13/52/48/555135248.db2.gz XRHPHPNQKUAQRI-VEZPTTSMSA-N -1 1 630.719 6.526 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102895765 555135250 /nfs/dbraw/zinc/13/52/50/555135250.db2.gz XRHPHPNQKUAQRI-VEZPTTSMSA-N -1 1 630.719 6.526 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896157 555135766 /nfs/dbraw/zinc/13/57/66/555135766.db2.gz AWBHLLMJZTUOKZ-IZSGBISHSA-N -1 1 614.720 6.832 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896157 555135767 /nfs/dbraw/zinc/13/57/67/555135767.db2.gz AWBHLLMJZTUOKZ-IZSGBISHSA-N -1 1 614.720 6.832 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896162 555135779 /nfs/dbraw/zinc/13/57/79/555135779.db2.gz AWBHLLMJZTUOKZ-VDGASQMCSA-N -1 1 614.720 6.832 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896162 555135781 /nfs/dbraw/zinc/13/57/81/555135781.db2.gz AWBHLLMJZTUOKZ-VDGASQMCSA-N -1 1 614.720 6.832 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102897426 555137890 /nfs/dbraw/zinc/13/78/90/555137890.db2.gz HUHSWABZFOOHEP-QDMOOSCLSA-N -1 1 549.004 5.614 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102898256 555138452 /nfs/dbraw/zinc/13/84/52/555138452.db2.gz HWYPPSNSBGXLNK-KNZGKXHUSA-N -1 1 533.005 5.908 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000102899742 555139411 /nfs/dbraw/zinc/13/94/11/555139411.db2.gz BNINGGZXPYQADM-SMOAUKQDSA-N -1 1 628.747 7.078 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102899731 555139464 /nfs/dbraw/zinc/13/94/64/555139464.db2.gz MONFEMFFBKCPMI-XXAHXYPMSA-N -1 1 628.747 7.222 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102899731 555139467 /nfs/dbraw/zinc/13/94/67/555139467.db2.gz MONFEMFFBKCPMI-XXAHXYPMSA-N -1 1 628.747 7.222 50 30 KKEAMM O=C(NCc1ccc2c(c1)OCO2)c1ccccc1N1C(=O)C(=O)C(=C([O-])c2cccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000102909320 555142255 /nfs/dbraw/zinc/14/22/55/555142255.db2.gz VZOMCAJYMHOTIZ-SANMLTNESA-N -1 1 573.026 5.843 50 30 KKEAMM O=C(NCc1ccc2c(c1)OCO2)c1ccccc1N1C(=O)C([O-])=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000102909320 555142258 /nfs/dbraw/zinc/14/22/58/555142258.db2.gz VZOMCAJYMHOTIZ-SANMLTNESA-N -1 1 573.026 5.843 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102926136 555150430 /nfs/dbraw/zinc/15/04/30/555150430.db2.gz BHRIFGDMDBYRHW-NXLSWJSLSA-N -1 1 500.576 5.638 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102926537 555151143 /nfs/dbraw/zinc/15/11/43/555151143.db2.gz MWUXJROOSSNIBB-AYWGPLOBSA-N -1 1 520.994 5.983 50 30 KKEAMM CCCCCCCCCn1c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(=O)c2ccccc21 ZINC000102927822 555152694 /nfs/dbraw/zinc/15/26/94/555152694.db2.gz ANWHUMNJKJLXMM-UHFFFAOYSA-N -1 1 553.728 8.295 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102928272 555153536 /nfs/dbraw/zinc/15/35/36/555153536.db2.gz UCXHVGBFWUMFAY-SBXHHDGASA-N -1 1 500.576 5.638 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000102929499 555155281 /nfs/dbraw/zinc/15/52/81/555155281.db2.gz PFKLJEKUFRRYAV-LFVOPCPISA-N -1 1 514.719 5.032 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102929561 555155509 /nfs/dbraw/zinc/15/55/09/555155509.db2.gz RFGCWRKWZAGKMH-MRJHHRETSA-N -1 1 504.608 5.552 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102929720 555155817 /nfs/dbraw/zinc/15/58/17/555155817.db2.gz XNTVMBNJIBPMDK-HOGKFDNTSA-N -1 1 508.958 6.114 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102931064 555158349 /nfs/dbraw/zinc/15/83/49/555158349.db2.gz HBZDRMVNWJGSGK-AYWGPLOBSA-N -1 1 520.538 5.088 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102931333 555158749 /nfs/dbraw/zinc/15/87/49/555158749.db2.gz QXSKHKRNEYATMD-MOBKVPTQSA-N -1 1 535.965 5.883 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102935127 555162512 /nfs/dbraw/zinc/16/25/12/555162512.db2.gz AAHFADSSALNAJP-YDJIHCHBSA-N -1 1 510.999 5.641 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100735442 571361155 /nfs/dbraw/zinc/36/11/55/571361155.db2.gz RSIJXDUPSVRKHF-HSZRJFAPSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100735442 571361156 /nfs/dbraw/zinc/36/11/56/571361156.db2.gz RSIJXDUPSVRKHF-HSZRJFAPSA-N -1 1 548.617 5.293 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000103928955 571370141 /nfs/dbraw/zinc/37/01/41/571370141.db2.gz MMRBKJIBNCKXCD-AYWGPLOBSA-N -1 1 548.661 5.869 50 30 KKEAMM CC(C)(C)c1cc(Br)c(O)c(/C=N/[C@@H]2CCCC[C@@H]2/N=C\c2cc(C(C)(C)C)cc(Br)c2[O-])c1 ZINC000106503993 571412704 /nfs/dbraw/zinc/41/27/04/571412704.db2.gz GKAZTXGRLZTVSO-LKAOFKDASA-N -1 1 592.416 8.067 50 30 KKEAMM CC(C)(C)c1cc(Br)c([O-])c(/C=N/[C@@H]2CCCC[C@@H]2/N=C\c2cc(C(C)(C)C)cc(Br)c2O)c1 ZINC000106503993 571412705 /nfs/dbraw/zinc/41/27/05/571412705.db2.gz GKAZTXGRLZTVSO-LKAOFKDASA-N -1 1 592.416 8.067 50 30 KKEAMM CC(C)(C)c1cc(Br)c(O)c(/C=N/[C@H]2CCCC[C@H]2/N=C\c2cc(C(C)(C)C)cc(Br)c2[O-])c1 ZINC000106503995 571412713 /nfs/dbraw/zinc/41/27/13/571412713.db2.gz GKAZTXGRLZTVSO-FPIGSHBCSA-N -1 1 592.416 8.067 50 30 KKEAMM CC(C)(C)c1cc(Br)c([O-])c(/C=N/[C@H]2CCCC[C@H]2/N=C\c2cc(C(C)(C)C)cc(Br)c2O)c1 ZINC000106503995 571412714 /nfs/dbraw/zinc/41/27/14/571412714.db2.gz GKAZTXGRLZTVSO-FPIGSHBCSA-N -1 1 592.416 8.067 50 30 KKEAMM CC(=O)c1ccc(NC=C2C(=O)C(=O)C(C(C)C)c3cc(C)c(-c4c(C)cc5c(c4O)C(=CNc4ccc(C(C)=O)cc4)C(=O)C(=O)C5C(C)C)c([O-])c32)cc1 ZINC000150341869 571458349 /nfs/dbraw/zinc/45/83/49/571458349.db2.gz TXQYWGDKCCXXID-NBDJWBGESA-N -1 1 752.864 9.708 50 30 biogenic,in-vitro KKEAMM Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1O)C(=CNCc1ccccn1)C(=O)C(=O)C3C(C)C)C(=CNCc1ccccn1)C(=O)C(=O)C2C(C)C ZINC000150345405 571459904 /nfs/dbraw/zinc/45/99/04/571459904.db2.gz LLBYFXJEGLPRRY-NAZWXXJZSA-N -1 1 698.820 7.449 50 30 biogenic KKEAMM Cc1c(Cl)c(C)c(/C=N/c2ccc(-c3ccc(/N=C/c4c(C)c(Cl)c(C)c(Br)c4O)cc3)cc2)c([O-])c1Br ZINC000150352608 571462506 /nfs/dbraw/zinc/46/25/06/571462506.db2.gz PQQCWTROYIMBMA-UUCTZZFFSA-N -1 1 675.248 10.332 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150417234 571486068 /nfs/dbraw/zinc/48/60/68/571486068.db2.gz HCAHEUHRPNCUGH-VXJPNWOUSA-N -1 1 643.787 6.886 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150417223 571486213 /nfs/dbraw/zinc/48/62/13/571486213.db2.gz HCAHEUHRPNCUGH-QBCYBHDASA-N -1 1 643.787 6.886 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150418403 571486463 /nfs/dbraw/zinc/48/64/63/571486463.db2.gz JCTKKPYJMAPTQD-WKUSSTJHSA-N -1 1 647.750 6.717 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000150422208 571488078 /nfs/dbraw/zinc/48/80/78/571488078.db2.gz VESWORFXTAHDFI-NNZNMFTDSA-N -1 1 706.286 8.257 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000150422211 571488303 /nfs/dbraw/zinc/48/83/03/571488303.db2.gz VESWORFXTAHDFI-JNYBUSFRSA-N -1 1 706.286 8.257 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000150424758 571489385 /nfs/dbraw/zinc/48/93/85/571489385.db2.gz GBPUHCCXKPGCJX-XXAHXYPMSA-N -1 1 740.731 8.911 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000150426371 571490626 /nfs/dbraw/zinc/49/06/26/571490626.db2.gz RSWKTUBHJPCSQE-SBXHHDGASA-N -1 1 636.107 5.668 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150426670 571490991 /nfs/dbraw/zinc/49/09/91/571490991.db2.gz YOZWDEBXMQWRAT-TXTDGAROSA-N -1 1 651.722 6.168 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000150435337 571495287 /nfs/dbraw/zinc/49/52/87/571495287.db2.gz HKPVEOLRDSIAQY-SSEXGKCCSA-N -1 1 640.758 8.018 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150435410 571495491 /nfs/dbraw/zinc/49/54/91/571495491.db2.gz KMDPUFFMEZVRFZ-ZQFJXRGVSA-N -1 1 646.765 7.841 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000150435586 571495537 /nfs/dbraw/zinc/49/55/37/571495537.db2.gz PMSLSEYZZZLOFU-BPBRYWPMSA-N -1 1 741.891 8.911 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000150435595 571495612 /nfs/dbraw/zinc/49/56/12/571495612.db2.gz PMSLSEYZZZLOFU-PUPPBXBUSA-N -1 1 741.891 8.911 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435653 571495706 /nfs/dbraw/zinc/49/57/06/571495706.db2.gz IZMFDJIOYIIQEF-QXCFGMLZSA-N -1 1 653.156 7.877 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435653 571495707 /nfs/dbraw/zinc/49/57/07/571495707.db2.gz IZMFDJIOYIIQEF-QXCFGMLZSA-N -1 1 653.156 7.877 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000150435685 571495764 /nfs/dbraw/zinc/49/57/64/571495764.db2.gz HVHKVIAFIOCFPO-CBOKBIJUSA-N -1 1 648.737 7.232 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000150435817 571495821 /nfs/dbraw/zinc/49/58/21/571495821.db2.gz ABNUZXPLZCMGGZ-SZYGQJGOSA-N -1 1 634.710 6.980 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000150435784 571495828 /nfs/dbraw/zinc/49/58/28/571495828.db2.gz JMKZGBZYOJWNMA-SZYGQJGOSA-N -1 1 728.248 7.859 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000150439732 571497662 /nfs/dbraw/zinc/49/76/62/571497662.db2.gz UCYRZWYTLNYIBE-HUVRIODYSA-N -1 1 691.831 7.758 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000150440084 571497822 /nfs/dbraw/zinc/49/78/22/571497822.db2.gz UYEXYXJSTSWRPN-SZYGQJGOSA-N -1 1 711.793 7.345 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150445579 571500588 /nfs/dbraw/zinc/50/05/88/571500588.db2.gz WLDZAZUWZKYCOL-GYBOJBDRSA-N -1 1 647.778 7.359 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150446808 571501118 /nfs/dbraw/zinc/50/11/18/571501118.db2.gz KHBYPCXXTNRGHC-DZTJFIFISA-N -1 1 648.206 7.612 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150446817 571501147 /nfs/dbraw/zinc/50/11/47/571501147.db2.gz KHBYPCXXTNRGHC-LOOKCOSASA-N -1 1 648.206 7.612 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000150448820 571501865 /nfs/dbraw/zinc/50/18/65/571501865.db2.gz FNNBOMBCALBAGJ-MIOXIQPJSA-N -1 1 640.714 6.325 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150456355 571504499 /nfs/dbraw/zinc/50/44/99/571504499.db2.gz HEGBMJYEKCELLC-RJIUIVJKSA-N -1 1 672.759 8.100 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150457516 571504955 /nfs/dbraw/zinc/50/49/55/571504955.db2.gz NRFLOGLIMJYIIX-QJGFIUGVSA-N -1 1 645.778 7.488 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457544 571505023 /nfs/dbraw/zinc/50/50/23/571505023.db2.gz ZXSIOKUULPFQPW-QMNXYOJKSA-N -1 1 675.804 7.497 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457975 571505180 /nfs/dbraw/zinc/50/51/80/571505180.db2.gz LCLFXFGTOJEZFG-DNNDWWBDSA-N -1 1 643.787 6.968 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150457912 571505344 /nfs/dbraw/zinc/50/53/44/571505344.db2.gz OYVLFCJSEYMCOG-JNYBUSFRSA-N -1 1 665.768 7.498 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150460311 571505870 /nfs/dbraw/zinc/50/58/70/571505870.db2.gz PSQUSMYICFTOTI-QMNXYOJKSA-N -1 1 692.259 8.011 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150462754 571506756 /nfs/dbraw/zinc/50/67/56/571506756.db2.gz MBJLCGGBLNTLAV-NNZNMFTDSA-N -1 1 706.286 8.401 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150463191 571507054 /nfs/dbraw/zinc/50/70/54/571507054.db2.gz IJVXLJJBEOTLQE-QBCYBHDASA-N -1 1 645.778 7.344 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150464015 571507704 /nfs/dbraw/zinc/50/77/04/571507704.db2.gz DXVHJJDRGKOWGR-HOTYXSFQSA-N -1 1 623.481 5.731 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150466153 571507951 /nfs/dbraw/zinc/50/79/51/571507951.db2.gz MXAJRSUWDWHJCK-DNNDWWBDSA-N -1 1 645.778 7.488 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150466712 571508071 /nfs/dbraw/zinc/50/80/71/571508071.db2.gz NDVKOHRAFCYAJZ-LQVPMSSISA-N -1 1 632.738 7.450 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150466716 571508080 /nfs/dbraw/zinc/50/80/80/571508080.db2.gz NDVKOHRAFCYAJZ-AGGHSELMSA-N -1 1 632.738 7.450 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150467662 571508249 /nfs/dbraw/zinc/50/82/49/571508249.db2.gz QTWKMCUUIUGIDG-WGGXKBPPSA-N -1 1 637.739 6.780 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150469635 571508755 /nfs/dbraw/zinc/50/87/55/571508755.db2.gz YZGVDIIXQZDQFR-HWTUVFLMSA-N -1 1 676.216 7.397 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150469569 571508782 /nfs/dbraw/zinc/50/87/82/571508782.db2.gz NLGCCBHKMREHBL-CZNAVJSXSA-N -1 1 634.135 6.446 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150469954 571509025 /nfs/dbraw/zinc/50/90/25/571509025.db2.gz KQNDPJWQAGXGHK-MIOXIQPJSA-N -1 1 694.231 7.459 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150471577 571509548 /nfs/dbraw/zinc/50/95/48/571509548.db2.gz VETUPAJPKBPDAA-DFXXOVSGSA-N -1 1 664.205 7.306 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150471599 571509592 /nfs/dbraw/zinc/50/95/92/571509592.db2.gz ZBTBGLGJEGZDSE-FLJNSMSWSA-N -1 1 710.661 8.050 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150472769 571510198 /nfs/dbraw/zinc/51/01/98/571510198.db2.gz QQRZUGDTNAWCKG-DFXXOVSGSA-N -1 1 678.188 6.845 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150475146 571510682 /nfs/dbraw/zinc/51/06/82/571510682.db2.gz VANUDINXPKNXCS-WGGXKBPPSA-N -1 1 657.770 6.500 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150478130 571511417 /nfs/dbraw/zinc/51/14/17/571511417.db2.gz RKCLOGHTGKCVHK-TXTDGAROSA-N -1 1 680.204 7.069 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150479442 571511620 /nfs/dbraw/zinc/51/16/20/571511620.db2.gz PDMDNGJPODFPCH-VEZPTTSMSA-N -1 1 635.767 7.505 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150479442 571511624 /nfs/dbraw/zinc/51/16/24/571511624.db2.gz PDMDNGJPODFPCH-VEZPTTSMSA-N -1 1 635.767 7.505 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150481069 571512258 /nfs/dbraw/zinc/51/22/58/571512258.db2.gz UDOIESNLNHXRJU-RJIUIVJKSA-N -1 1 709.846 7.959 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150481372 571512578 /nfs/dbraw/zinc/51/25/78/571512578.db2.gz IKCPSXMSZSRKNV-QBTYMPIYSA-N -1 1 668.624 7.876 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150484895 571515470 /nfs/dbraw/zinc/51/54/70/571515470.db2.gz JSDQHWDQKBHQLC-ZORLYMSLSA-N -1 1 687.840 7.504 50 30 KKEAMM Cc1nc(-c2ccccc2)sc1C(=O)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1cccnc1 ZINC000150485885 571516176 /nfs/dbraw/zinc/51/61/76/571516176.db2.gz XCTDZLDNGKNUOA-AREMUKBSSA-N -1 1 633.780 7.593 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150486362 571516280 /nfs/dbraw/zinc/51/62/80/571516280.db2.gz WGGTVAGDGFMINY-NXLSVDECSA-N -1 1 726.704 8.665 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150486749 571516532 /nfs/dbraw/zinc/51/65/32/571516532.db2.gz OFJQFMSNVJIRTN-SMOAUKQDSA-N -1 1 716.668 8.666 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150488562 571516913 /nfs/dbraw/zinc/51/69/13/571516913.db2.gz YYJBDMLLDXSEMQ-VEZPTTSMSA-N -1 1 673.813 7.196 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150488563 571516927 /nfs/dbraw/zinc/51/69/27/571516927.db2.gz YYJBDMLLDXSEMQ-QMMFTLRZSA-N -1 1 673.813 7.196 50 30 KKEAMM CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(OC)c(OC)c5)coc4c32)cc1 ZINC000263584801 572115331 /nfs/dbraw/zinc/11/53/31/572115331.db2.gz AUNVAGMULMMSAE-XMMPIXPASA-N -1 1 572.654 7.363 50 30 KKEAMM CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1 ZINC000263584801 572115336 /nfs/dbraw/zinc/11/53/36/572115336.db2.gz AUNVAGMULMMSAE-XMMPIXPASA-N -1 1 572.654 7.363 50 30 KKEAMM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(occ(-c5ccc(OC)c(OC)c5)c4=O)c32)cc1 ZINC000263585823 572120469 /nfs/dbraw/zinc/12/04/69/572120469.db2.gz MYNZXBBWUWLTFL-FQEVSTJZSA-N -1 1 514.530 5.579 50 30 KKEAMM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1 ZINC000263585823 572120471 /nfs/dbraw/zinc/12/04/71/572120471.db2.gz MYNZXBBWUWLTFL-FQEVSTJZSA-N -1 1 514.530 5.579 50 30 KKEAMM CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=Nc1ccc(Br)cc1)C4=O)C2=O ZINC000245226465 572204003 /nfs/dbraw/zinc/20/40/03/572204003.db2.gz YQNZQGYHBNTVJA-BQRBMFCOSA-N -1 1 865.771 5.833 50 30 KKEAMM COc1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)c(Br)c(Br)c1[O-] ZINC000252606999 572267863 /nfs/dbraw/zinc/26/78/63/572267863.db2.gz GXHRZGPZEQZYCF-WZHFLWTNSA-N -1 1 566.315 6.863 50 30 KKEAMM Cc1cc(-c2ccc(N=Cc3cc(I)cc(I)c3O)c(C)c2)ccc1N=Cc1cc(I)cc(I)c1[O-] ZINC000252607874 572267972 /nfs/dbraw/zinc/26/79/72/572267972.db2.gz HFXGNXXPJBALCR-UHFFFAOYSA-N -1 1 924.096 9.301 50 30 KKEAMM O=C1NC(=NN=Cc2cc(I)cc(I)c2[O-])S/C1=C/c1cc(Br)cc(Br)c1O ZINC000252613726 572268472 /nfs/dbraw/zinc/26/84/72/572268472.db2.gz JDJPBPJIWYJHBR-FEHSFYSRSA-N -1 1 748.960 5.426 50 30 KKEAMM COc1ccc2c(c1)N(C)/C(=C1\SC(=Nc3c([O-])ccc4ccccc43)N(C3CCCCC3)C1=O)S2 ZINC000252625538 572270444 /nfs/dbraw/zinc/27/04/44/572270444.db2.gz QMFSYEDDKISPON-GTFRVPHDSA-N -1 1 517.676 6.861 50 30 KKEAMM C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(Cl)cc4)coc-3c21 ZINC000253412386 572288091 /nfs/dbraw/zinc/28/80/91/572288091.db2.gz QVQQZFDSZCCDHR-IBGZPJMESA-N -1 1 518.949 6.224 50 30 KKEAMM COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc([O-])c(Cl)c2)CC(=O)O3)C1=O ZINC000524729842 1069828224 /nfs/dbraw/zinc/82/82/24/1069828224.db2.gz LPJMIZPGSARGKF-SQTWMXCFSA-N -1 1 508.910 5.129 50 30 KKEAMM C=C(C)COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)ccc1OC ZINC000217797829 1071293072 /nfs/dbraw/zinc/29/30/72/1071293072.db2.gz VXDYVOMHJKDTSM-GOSISDBHSA-N -1 1 530.529 5.284 50 30 biogenic KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(OC)cc2)nc1C ZINC000000631113 551505109 /nfs/dbraw/zinc/50/51/09/551505109.db2.gz FNQCZVSDSCBUES-JOCHJYFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000000635417 551506078 /nfs/dbraw/zinc/50/60/78/551506078.db2.gz VCTUIZWVNCAULB-HXUWFJFHSA-N -1 1 526.998 5.382 50 30 KKEAMM COc1ccc(OC)c([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)c1 ZINC000000959829 551589965 /nfs/dbraw/zinc/58/99/65/551589965.db2.gz GAUUCAOCMOUXDF-OAQYLSRUSA-N -1 1 510.015 5.297 50 30 KKEAMM COc1ccc(OC)c([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000959781 551590135 /nfs/dbraw/zinc/59/01/35/551590135.db2.gz NSZNXWZEHSQGLR-JOCHJYFZSA-N -1 1 521.614 5.419 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000001055476 551600052 /nfs/dbraw/zinc/60/00/52/551600052.db2.gz UZUHWNUJOCJPJO-LJQANCHMSA-N -1 1 514.719 5.189 50 30 KKEAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243208 551631251 /nfs/dbraw/zinc/63/12/51/551631251.db2.gz QTLMVTVGDJFWIA-VKGTZQKMSA-N -1 1 530.602 5.300 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccncc2)cc1 ZINC000001268783 551634385 /nfs/dbraw/zinc/63/43/85/551634385.db2.gz ONZSTRMVESGJJF-UGDMGKLASA-N -1 1 523.633 6.145 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000001446501 551674177 /nfs/dbraw/zinc/67/41/77/551674177.db2.gz AQQWBWMXKIPTTH-XMMPIXPASA-N -1 1 540.597 6.203 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001446917 551674332 /nfs/dbraw/zinc/67/43/32/551674332.db2.gz BVFFHAARAWYPLJ-JOCHJYFZSA-N -1 1 538.528 5.383 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000001450352 551675241 /nfs/dbraw/zinc/67/52/41/551675241.db2.gz QWXSRWHHAJMJSY-VWLOTQADSA-N -1 1 530.602 5.722 50 30 KKEAMM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccccc3Cl)C2)cc1 ZINC000001456618 551676742 /nfs/dbraw/zinc/67/67/42/551676742.db2.gz CSVQAFGOAYSLOG-ADSBAMQRSA-N -1 1 531.008 6.114 50 30 KKEAMM COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001457574 551677298 /nfs/dbraw/zinc/67/72/98/551677298.db2.gz AWUVMGNLLWGWBU-WKRVVKTRSA-N -1 1 510.590 5.769 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000001474133 551680688 /nfs/dbraw/zinc/68/06/88/551680688.db2.gz MRRGQTIXIJSYGY-JOCHJYFZSA-N -1 1 530.558 5.796 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001480130 551681454 /nfs/dbraw/zinc/68/14/54/551681454.db2.gz XVUMZUWTPORCHH-DEOSSOPVSA-N -1 1 532.574 5.114 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001480130 551681456 /nfs/dbraw/zinc/68/14/56/551681456.db2.gz XVUMZUWTPORCHH-DEOSSOPVSA-N -1 1 532.574 5.114 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)o1 ZINC000001479965 551681486 /nfs/dbraw/zinc/68/14/86/551681486.db2.gz NOHBGVSDNYXYFL-NRFANRHFSA-N -1 1 523.408 6.360 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480833 551681846 /nfs/dbraw/zinc/68/18/46/551681846.db2.gz RQQPDKNANDTKGS-RUZDIDTESA-N -1 1 560.628 5.812 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480873 551682277 /nfs/dbraw/zinc/68/22/77/551682277.db2.gz QGSXRWRUSZLVIM-XMMPIXPASA-N -1 1 564.591 5.643 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480880 551682290 /nfs/dbraw/zinc/68/22/90/551682290.db2.gz DCPGPPQUYHMSAO-VWLOTQADSA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480880 551682293 /nfs/dbraw/zinc/68/22/93/551682293.db2.gz DCPGPPQUYHMSAO-VWLOTQADSA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000001480885 551682374 /nfs/dbraw/zinc/68/23/74/551682374.db2.gz FBXPOLRTSBGXLH-RUZDIDTESA-N -1 1 530.602 5.885 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000001480885 551682376 /nfs/dbraw/zinc/68/23/76/551682376.db2.gz FBXPOLRTSBGXLH-RUZDIDTESA-N -1 1 530.602 5.885 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001481478 551682705 /nfs/dbraw/zinc/68/27/05/551682705.db2.gz XJCKOWHHAKMGTF-HSZRJFAPSA-N -1 1 550.564 5.253 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001482270 551682718 /nfs/dbraw/zinc/68/27/18/551682718.db2.gz MKOOTMCTRVMNFY-RUZDIDTESA-N -1 1 530.602 5.804 50 30 KKEAMM CCCCOP(=O)(OCCCC)[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2)C=C(Cl)C(=O)c2ccccc21 ZINC000001875743 551722316 /nfs/dbraw/zinc/72/23/16/551722316.db2.gz CCPFIQQHENBNPE-DEOSSOPVSA-N -1 1 560.436 6.617 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000001876401 551722579 /nfs/dbraw/zinc/72/25/79/551722579.db2.gz GLMUQGRYQABKGF-GKVSMKOHSA-N -1 1 576.671 5.769 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000001876401 551722582 /nfs/dbraw/zinc/72/25/82/551722582.db2.gz GLMUQGRYQABKGF-GKVSMKOHSA-N -1 1 576.671 5.769 50 30 KKEAMM COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000002073760 551748263 /nfs/dbraw/zinc/74/82/63/551748263.db2.gz AHZJRNIDVPQIAP-YUYSWHJYSA-N -1 1 588.321 7.351 50 30 KKEAMM O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)c1c(=O)[n-]c(SCc3ccc([N+](=O)[O-])cc3)nc1N2 ZINC000002719210 552163652 /nfs/dbraw/zinc/16/36/52/552163652.db2.gz SCCUVRBCIOARHC-LJQANCHMSA-N -1 1 539.411 5.710 50 30 KKEAMM CCN(CC)c1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000002719236 552163754 /nfs/dbraw/zinc/16/37/54/552163754.db2.gz URABBKMTLPXYCO-HSZRJFAPSA-N -1 1 531.638 5.793 50 30 KKEAMM CCOc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002719428 552163775 /nfs/dbraw/zinc/16/37/75/552163775.db2.gz UGSHBRKKSWDAGB-JOCHJYFZSA-N -1 1 532.622 5.982 50 30 KKEAMM CCC(=O)N1CCN(c2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Br)c3[O-])cc2)CC1 ZINC000004121823 552439448 /nfs/dbraw/zinc/43/94/48/552439448.db2.gz NFGWKOWKTMPZNT-UXHLAJHPSA-N -1 1 540.889 6.208 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)cc1C ZINC000005355454 552498516 /nfs/dbraw/zinc/49/85/16/552498516.db2.gz JHHZYJKSPBOEJS-QFIPXVFZSA-N -1 1 555.052 6.162 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)cc1C ZINC000005355446 552498633 /nfs/dbraw/zinc/49/86/33/552498633.db2.gz JHHZYJKSPBOEJS-JOCHJYFZSA-N -1 1 555.052 6.162 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000005355414 552498687 /nfs/dbraw/zinc/49/86/87/552498687.db2.gz ZTTPAHRKSMIUSE-QFIPXVFZSA-N -1 1 538.597 5.647 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355221 552498697 /nfs/dbraw/zinc/49/86/97/552498697.db2.gz HJEJVGHMGKXDLQ-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000005355502 552499056 /nfs/dbraw/zinc/49/90/56/552499056.db2.gz YDFCSPCIQSDDRM-GOSISDBHSA-N -1 1 572.393 5.082 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000005357175 552499215 /nfs/dbraw/zinc/49/92/15/552499215.db2.gz DRMWHLXMODOXMZ-JOCHJYFZSA-N -1 1 518.591 5.203 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000005402256 552501421 /nfs/dbraw/zinc/50/14/21/552501421.db2.gz YQOVPJKTNVAUMQ-SANMLTNESA-N -1 1 603.678 6.099 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000005919012 552512063 /nfs/dbraw/zinc/51/20/63/552512063.db2.gz SXVICOHQOOEVAE-XMMPIXPASA-N -1 1 548.661 6.242 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000005919100 552512254 /nfs/dbraw/zinc/51/22/54/552512254.db2.gz NZALVCDJDBPPDU-QHCPKHFHSA-N -1 1 550.608 5.814 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)c(C)c1 ZINC000005919113 552512392 /nfs/dbraw/zinc/51/23/92/552512392.db2.gz MAFHSWYDPNZOLU-NRFANRHFSA-N -1 1 524.570 5.257 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000005919188 552512465 /nfs/dbraw/zinc/51/24/65/552512465.db2.gz IXMZWLOGYMLAOV-DEOSSOPVSA-N -1 1 564.660 5.907 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000005919051 552512476 /nfs/dbraw/zinc/51/24/76/552512476.db2.gz 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/nfs/dbraw/zinc/04/18/93/553041893.db2.gz YHRHIUTWRGBQNM-MHZLTWQESA-N -1 1 554.624 6.850 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)o1 ZINC000008441806 553042394 /nfs/dbraw/zinc/04/23/94/553042394.db2.gz VJXQFUYZZURFSZ-SANMLTNESA-N -1 1 579.659 7.414 50 30 KKEAMM CCc1ccc2oc(-c3cccc(/N=C\c4cc(Cc5ccccc5)cc(Br)c4[O-])c3)nc2c1 ZINC000008448904 553056794 /nfs/dbraw/zinc/05/67/94/553056794.db2.gz RFCOAAPFGRITSY-MNBJERMJSA-N -1 1 511.419 7.867 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000008468510 553075728 /nfs/dbraw/zinc/07/57/28/553075728.db2.gz FZVWIXXDDKNVIQ-KRWDZBQOSA-N -1 1 547.814 5.437 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008742534 553133324 /nfs/dbraw/zinc/13/33/24/553133324.db2.gz JBWYPAQFZYNKQX-XMMPIXPASA-N -1 1 518.566 5.798 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008742534 553133326 /nfs/dbraw/zinc/13/33/26/553133326.db2.gz JBWYPAQFZYNKQX-XMMPIXPASA-N -1 1 518.566 5.798 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008742895 553133601 /nfs/dbraw/zinc/13/36/01/553133601.db2.gz HIQQGMXWLOOHQC-NRFANRHFSA-N -1 1 506.605 5.720 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008742895 553133603 /nfs/dbraw/zinc/13/36/03/553133603.db2.gz HIQQGMXWLOOHQC-NRFANRHFSA-N -1 1 506.605 5.720 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008743954 553133999 /nfs/dbraw/zinc/13/39/99/553133999.db2.gz IYNFESMRPQIHDU-JOCHJYFZSA-N -1 1 506.605 5.720 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008743954 553134001 /nfs/dbraw/zinc/13/40/01/553134001.db2.gz IYNFESMRPQIHDU-JOCHJYFZSA-N -1 1 506.605 5.720 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000008744254 553134202 /nfs/dbraw/zinc/13/42/02/553134202.db2.gz INDRSUWJZPBGKS-OAQYLSRUSA-N -1 1 520.607 5.327 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000008837115 553163749 /nfs/dbraw/zinc/16/37/49/553163749.db2.gz BXUQAMPLIZSQJO-JOCHJYFZSA-N -1 1 508.502 5.375 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000008845735 553165780 /nfs/dbraw/zinc/16/57/80/553165780.db2.gz FVGXIPKEBQJGLU-FYSMJZIKSA-N -1 1 519.623 5.522 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000008845735 553165782 /nfs/dbraw/zinc/16/57/82/553165782.db2.gz FVGXIPKEBQJGLU-FYSMJZIKSA-N -1 1 519.623 5.522 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000008845610 553165832 /nfs/dbraw/zinc/16/58/32/553165832.db2.gz SKHBSODXKMLHIP-XMMPIXPASA-N -1 1 515.566 5.656 50 30 KKEAMM Cc1cc(Br)c(Nc2nc(N=NCc3cc(Cl)cc(Cl)c3[O-])nc(N3CCOCC3)n2)cc1Cl ZINC000008872126 553172227 /nfs/dbraw/zinc/17/22/27/553172227.db2.gz QUEITZIWSWIXDX-KALUYTGESA-N -1 1 587.693 5.635 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000008893218 553177142 /nfs/dbraw/zinc/17/71/42/553177142.db2.gz OZZDPERDLHETCN-OAQYLSRUSA-N -1 1 522.554 5.115 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000008894078 553177528 /nfs/dbraw/zinc/17/75/28/553177528.db2.gz RDPOIGAXEHZRCK-VWLOTQADSA-N -1 1 514.603 6.103 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008894124 553177554 /nfs/dbraw/zinc/17/75/54/553177554.db2.gz VDENTRCCZPUCGY-HSZRJFAPSA-N -1 1 504.995 6.304 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008894124 553177555 /nfs/dbraw/zinc/17/75/55/553177555.db2.gz VDENTRCCZPUCGY-HSZRJFAPSA-N -1 1 504.995 6.304 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894515 553177774 /nfs/dbraw/zinc/17/77/74/553177774.db2.gz KVFPUQCKDZFZFM-SANMLTNESA-N -1 1 512.631 6.739 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008895509 553178159 /nfs/dbraw/zinc/17/81/59/553178159.db2.gz QCGANVWACSGQCV-DEOSSOPVSA-N -1 1 500.576 5.795 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000008904094 553183288 /nfs/dbraw/zinc/18/32/88/553183288.db2.gz RRNQBDRFHUXFHU-QHCPKHFHSA-N -1 1 516.575 5.413 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000008905353 553183741 /nfs/dbraw/zinc/18/37/41/553183741.db2.gz NZUKHQCCNZTPTE-SFHVURJKSA-N -1 1 500.935 5.204 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008973332 553195292 /nfs/dbraw/zinc/19/52/92/553195292.db2.gz QBVMUDCMHRBHSR-QFIPXVFZSA-N -1 1 517.519 5.005 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008973330 553195304 /nfs/dbraw/zinc/19/53/04/553195304.db2.gz QBVMUDCMHRBHSR-JOCHJYFZSA-N -1 1 517.519 5.005 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008973859 553195510 /nfs/dbraw/zinc/19/55/10/553195510.db2.gz NHIZNYAIWCGHPF-QFIPXVFZSA-N -1 1 501.520 5.386 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000008973655 553195559 /nfs/dbraw/zinc/19/55/59/553195559.db2.gz SZAHZAVDZNWCKT-DEOSSOPVSA-N -1 1 518.566 5.934 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000008973655 553195560 /nfs/dbraw/zinc/19/55/60/553195560.db2.gz SZAHZAVDZNWCKT-DEOSSOPVSA-N -1 1 518.566 5.934 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Br)c1)c1ccccc1 ZINC000008973716 553195564 /nfs/dbraw/zinc/19/55/64/553195564.db2.gz FBOLFPADUFCVEP-FQEVSTJZSA-N -1 1 509.356 5.981 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccccc3F)sc2c1 ZINC000008981345 553196058 /nfs/dbraw/zinc/19/60/58/553196058.db2.gz JJSYZBTZHYGDLE-HSZRJFAPSA-N -1 1 504.539 5.626 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000008996456 553197244 /nfs/dbraw/zinc/19/72/44/553197244.db2.gz JROUNLCJJPOKNT-HSZRJFAPSA-N -1 1 515.547 5.613 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008996644 553197456 /nfs/dbraw/zinc/19/74/56/553197456.db2.gz UVKBCMFSKSCPOC-JOCHJYFZSA-N -1 1 502.548 5.330 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009007642 553198088 /nfs/dbraw/zinc/19/80/88/553198088.db2.gz GNUHQRMFHBFHJO-OAQYLSRUSA-N -1 1 505.508 5.288 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009008279 553198840 /nfs/dbraw/zinc/19/88/40/553198840.db2.gz YROKVZBIGWPCRJ-JOCHJYFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009008279 553198841 /nfs/dbraw/zinc/19/88/41/553198841.db2.gz YROKVZBIGWPCRJ-JOCHJYFZSA-N -1 1 501.520 5.304 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009008573 553198959 /nfs/dbraw/zinc/19/89/59/553198959.db2.gz XFOZMXCEGDDLCH-OAQYLSRUSA-N -1 1 506.580 5.118 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009008573 553198961 /nfs/dbraw/zinc/19/89/61/553198961.db2.gz XFOZMXCEGDDLCH-OAQYLSRUSA-N -1 1 506.580 5.118 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3ccccc3F)sc2c1 ZINC000009009203 553199282 /nfs/dbraw/zinc/19/92/82/553199282.db2.gz CZHYSERDTBYCHM-HSZRJFAPSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccccc3F)sc2c1 ZINC000009009203 553199283 /nfs/dbraw/zinc/19/92/83/553199283.db2.gz CZHYSERDTBYCHM-HSZRJFAPSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009043115 553202890 /nfs/dbraw/zinc/20/28/90/553202890.db2.gz ODGQKVIPKJACDS-JOCHJYFZSA-N -1 1 506.967 5.750 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009045544 553203512 /nfs/dbraw/zinc/20/35/12/553203512.db2.gz NSVIKNAPQFNOEH-DEOSSOPVSA-N -1 1 502.567 6.234 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009046277 553203760 /nfs/dbraw/zinc/20/37/60/553203760.db2.gz JPXBQHJUXZAVMP-HSZRJFAPSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009046277 553203762 /nfs/dbraw/zinc/20/37/62/553203762.db2.gz JPXBQHJUXZAVMP-HSZRJFAPSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009046472 553203982 /nfs/dbraw/zinc/20/39/82/553203982.db2.gz XAHUHFDEURZQDV-QHCPKHFHSA-N -1 1 515.547 5.613 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009067679 553206382 /nfs/dbraw/zinc/20/63/82/553206382.db2.gz BZXRXDJOXUYCER-JOCHJYFZSA-N -1 1 506.605 5.938 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009069016 553206830 /nfs/dbraw/zinc/20/68/30/553206830.db2.gz PSNHAGJHCQUAGN-DEOSSOPVSA-N -1 1 500.576 5.713 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000009069822 553206886 /nfs/dbraw/zinc/20/68/86/553206886.db2.gz KZCOOLLEJXOUQU-HXUWFJFHSA-N -1 1 514.987 5.222 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000009073066 553207069 /nfs/dbraw/zinc/20/70/69/553207069.db2.gz YDJASJWQYNHFKJ-QFIPXVFZSA-N -1 1 506.967 5.750 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009072542 553207113 /nfs/dbraw/zinc/20/71/13/553207113.db2.gz OHRCOWDETXBVIP-XMMPIXPASA-N -1 1 502.567 6.350 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000009086293 553208346 /nfs/dbraw/zinc/20/83/46/553208346.db2.gz IDMQLKSQZOHMBW-JOCHJYFZSA-N -1 1 520.607 5.291 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009123179 553212244 /nfs/dbraw/zinc/21/22/44/553212244.db2.gz LVYZSLUXMZPBHW-QHCPKHFHSA-N -1 1 504.633 6.663 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009177262 553216335 /nfs/dbraw/zinc/21/63/35/553216335.db2.gz NSVIKNAPQFNOEH-XMMPIXPASA-N -1 1 502.567 6.234 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000009177171 553216346 /nfs/dbraw/zinc/21/63/46/553216346.db2.gz FSQVDLNSOVYWPR-QFIPXVFZSA-N -1 1 508.502 5.375 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000009185745 553217463 /nfs/dbraw/zinc/21/74/63/553217463.db2.gz XWKFMIBQEMJAAX-HSZRJFAPSA-N -1 1 504.995 6.358 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009244256 553227083 /nfs/dbraw/zinc/22/70/83/553227083.db2.gz HUJMGIXGKXFMLH-HXUWFJFHSA-N -1 1 508.596 5.610 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009271422 553230999 /nfs/dbraw/zinc/23/09/99/553230999.db2.gz YZCDFJZAQPWIHS-VWLOTQADSA-N -1 1 514.603 6.103 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000009271474 553231042 /nfs/dbraw/zinc/23/10/42/553231042.db2.gz PIUGQNPRTSIZPS-LJQANCHMSA-N -1 1 511.422 6.212 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009292223 553234867 /nfs/dbraw/zinc/23/48/67/553234867.db2.gz IXMSPMNVOYHCLU-OWJWWREXSA-N -1 1 516.619 5.884 50 30 KKEAMM COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccc(F)cc2)c1 ZINC000009310805 553239081 /nfs/dbraw/zinc/23/90/81/553239081.db2.gz SAVRJAXDQDNWBI-WRGVRERRSA-N -1 1 514.553 5.600 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000009329430 553242436 /nfs/dbraw/zinc/24/24/36/553242436.db2.gz PRLIEDLPRWOWBR-XUSGNXJCSA-N -1 1 508.983 5.414 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009334334 553243129 /nfs/dbraw/zinc/24/31/29/553243129.db2.gz GXRGFWPMAYLTMM-VWLOTQADSA-N -1 1 514.603 6.185 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000009350877 553245281 /nfs/dbraw/zinc/24/52/81/553245281.db2.gz PHPWPJKDXWPOQQ-OWJWWREXSA-N -1 1 517.006 6.364 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009356876 553246798 /nfs/dbraw/zinc/24/67/98/553246798.db2.gz XIULONGUYYJSNQ-MQNRADLISA-N -1 1 514.578 6.104 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000009357589 553246934 /nfs/dbraw/zinc/24/69/34/553246934.db2.gz NABRQUAGHFVATO-MYYSRTQBSA-N -1 1 500.551 5.850 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000009357943 553247210 /nfs/dbraw/zinc/24/72/10/553247210.db2.gz IWUWXJDJEHBDJR-NPMABZOXSA-N -1 1 504.514 5.681 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009360414 553248460 /nfs/dbraw/zinc/24/84/60/553248460.db2.gz ADQQJGZKEYCQAD-CPJLOUKISA-N -1 1 512.587 5.720 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000009360822 553248659 /nfs/dbraw/zinc/24/86/59/553248659.db2.gz MFJVWRHSOJOOPA-NPMABZOXSA-N -1 1 518.978 5.762 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000009360822 553248661 /nfs/dbraw/zinc/24/86/61/553248661.db2.gz MFJVWRHSOJOOPA-NPMABZOXSA-N -1 1 518.978 5.762 50 30 KKEAMM O=C1C(=O)N(c2cccc(Br)c2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000009370752 553250094 /nfs/dbraw/zinc/25/00/94/553250094.db2.gz BPVWMMFUXTZOQS-HXUWFJFHSA-N -1 1 513.185 5.995 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009370752 553250096 /nfs/dbraw/zinc/25/00/96/553250096.db2.gz BPVWMMFUXTZOQS-HXUWFJFHSA-N -1 1 513.185 5.995 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009373728 553250520 /nfs/dbraw/zinc/25/05/20/553250520.db2.gz DBTLCABPVWVVCQ-JBEBIEQOSA-N -1 1 516.550 5.550 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000009374779 553250939 /nfs/dbraw/zinc/25/09/39/553250939.db2.gz DHHOLAKJHAMZFD-CPJLOUKISA-N -1 1 514.578 6.159 50 30 KKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000009424747 553258867 /nfs/dbraw/zinc/25/88/67/553258867.db2.gz QCLIZSXSADCQLC-VWLOTQADSA-N -1 1 500.938 5.998 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009425250 553259338 /nfs/dbraw/zinc/25/93/38/553259338.db2.gz IMVRCQFPFSAJEJ-HSZRJFAPSA-N -1 1 518.591 5.332 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009454056 553266305 /nfs/dbraw/zinc/26/63/05/553266305.db2.gz JLVKKRSASBVANL-QHCPKHFHSA-N -1 1 502.523 5.298 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009454056 553266307 /nfs/dbraw/zinc/26/63/07/553266307.db2.gz JLVKKRSASBVANL-QHCPKHFHSA-N -1 1 502.523 5.298 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)sc2c1 ZINC000009460799 553266978 /nfs/dbraw/zinc/26/69/78/553266978.db2.gz ZEMQXHJTSPXASY-CPJLOUKISA-N -1 1 512.587 5.801 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccccc3F)cc2)c1 ZINC000009461021 553267131 /nfs/dbraw/zinc/26/71/31/553267131.db2.gz UYOHKQUBWDAGAG-DEOSSOPVSA-N -1 1 500.551 5.953 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000009462830 553268474 /nfs/dbraw/zinc/26/84/74/553268474.db2.gz RDWMCVFEKJBWMM-DEOSSOPVSA-N -1 1 517.006 6.467 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000009463030 553268760 /nfs/dbraw/zinc/26/87/60/553268760.db2.gz XEWAUSPGZQZHRP-XMMPIXPASA-N -1 1 516.575 5.413 50 30 KKEAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(F)cc2)cc1 ZINC000009482611 553272660 /nfs/dbraw/zinc/27/26/60/553272660.db2.gz VYDPQLBRJPHVJV-JCOAXYOVSA-N -1 1 528.580 5.908 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1 ZINC000009601060 553286464 /nfs/dbraw/zinc/28/64/64/553286464.db2.gz QAOJFZPIPYFCHI-JOCHJYFZSA-N -1 1 506.967 5.750 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)c1 ZINC000009601060 553286466 /nfs/dbraw/zinc/28/64/66/553286466.db2.gz QAOJFZPIPYFCHI-JOCHJYFZSA-N -1 1 506.967 5.750 50 30 KKEAMM CCN(CC)c1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc1 ZINC000009781015 553307770 /nfs/dbraw/zinc/30/77/70/553307770.db2.gz IVHIKGSSXKMRFA-QHCPKHFHSA-N -1 1 521.086 6.539 50 30 KKEAMM COc1cccc([C@@H]2c3c(=O)[n-]c(SCc4ccc(C)cc4C)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009942560 553319690 /nfs/dbraw/zinc/31/96/90/553319690.db2.gz DRQHCZXZWIHVKH-QHCPKHFHSA-N -1 1 501.652 5.888 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000009994094 553324757 /nfs/dbraw/zinc/32/47/57/553324757.db2.gz UGEDZZPHQOPNKL-NRFANRHFSA-N -1 1 522.554 5.033 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000013552407 553470744 /nfs/dbraw/zinc/47/07/44/553470744.db2.gz AZQDKKZSUIXEPL-HSZRJFAPSA-N -1 1 504.995 6.304 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000013552407 553470745 /nfs/dbraw/zinc/47/07/45/553470745.db2.gz AZQDKKZSUIXEPL-HSZRJFAPSA-N -1 1 504.995 6.304 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000013552629 553470829 /nfs/dbraw/zinc/47/08/29/553470829.db2.gz LVUNRMFUSKXNKD-IBGZPJMESA-N -1 1 503.736 5.190 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000016729529 553575564 /nfs/dbraw/zinc/57/55/64/553575564.db2.gz XAUZKLVQMAKBSD-QFIPXVFZSA-N -1 1 520.607 5.508 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000016729529 553575565 /nfs/dbraw/zinc/57/55/65/553575565.db2.gz XAUZKLVQMAKBSD-QFIPXVFZSA-N -1 1 520.607 5.508 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000016730266 553576495 /nfs/dbraw/zinc/57/64/95/553576495.db2.gz BMQCETMJVAMGAN-OAQYLSRUSA-N -1 1 524.570 5.339 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000016730516 553576512 /nfs/dbraw/zinc/57/65/12/553576512.db2.gz HAABLHNHMXQWQZ-JOCHJYFZSA-N -1 1 520.582 5.587 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000016730516 553576515 /nfs/dbraw/zinc/57/65/15/553576515.db2.gz HAABLHNHMXQWQZ-JOCHJYFZSA-N -1 1 520.582 5.587 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000016730400 553576550 /nfs/dbraw/zinc/57/65/50/553576550.db2.gz BLQRDTNGJOYDJA-NRFANRHFSA-N -1 1 522.554 5.033 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732222 553577469 /nfs/dbraw/zinc/57/74/69/553577469.db2.gz SEJLAUIWMIULMA-HSZRJFAPSA-N -1 1 520.607 5.625 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732222 553577471 /nfs/dbraw/zinc/57/74/71/553577471.db2.gz SEJLAUIWMIULMA-HSZRJFAPSA-N -1 1 520.607 5.625 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000016742630 553580679 /nfs/dbraw/zinc/58/06/79/553580679.db2.gz SREWBZMDRLECBN-IBGZPJMESA-N -1 1 509.609 5.814 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)cc1 ZINC000016805343 553582849 /nfs/dbraw/zinc/58/28/49/553582849.db2.gz FNUMHQAYRFWMKB-OAQYLSRUSA-N -1 1 524.570 5.339 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000020181743 553604550 /nfs/dbraw/zinc/60/45/50/553604550.db2.gz KSUPKFPOBBOXNL-QHCPKHFHSA-N -1 1 517.651 5.588 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(Cl)cc3)[n-]c(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000020181753 553604580 /nfs/dbraw/zinc/60/45/80/553604580.db2.gz LCINCCMUUXBHFL-HXUWFJFHSA-N -1 1 523.014 6.237 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(OC)cc5)coc4c32)cc1 ZINC000085879507 553689739 /nfs/dbraw/zinc/68/97/39/553689739.db2.gz KIEPMLPCRBZYPU-VWLOTQADSA-N -1 1 542.628 7.355 50 30 biogenic KKEAMM CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)cc5)coc-4c32)cc1 ZINC000085879507 553689740 /nfs/dbraw/zinc/68/97/40/553689740.db2.gz KIEPMLPCRBZYPU-VWLOTQADSA-N -1 1 542.628 7.355 50 30 biogenic KKEAMM Brc1ccccc1C=NN=c1nc(NN=Cc2ccccc2Br)nc(N(c2ccccc2)c2ccccc2)[n-]1 ZINC000095100420 553698966 /nfs/dbraw/zinc/69/89/66/553698966.db2.gz VUNLTLQKCTXVBT-CRDPYYQKSA-N -1 1 642.359 7.758 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(Cl)cc3Cl)C2)cc1 ZINC000097948664 553795797 /nfs/dbraw/zinc/79/57/97/553795797.db2.gz FWLTYWSPPBMUBK-CGKQSPDFSA-N -1 1 591.535 8.056 50 30 KKEAMM O=C([N-]C(Nc1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F ZINC000097949488 553801988 /nfs/dbraw/zinc/80/19/88/553801988.db2.gz XVLDSBWABJVXJK-UHFFFAOYSA-N -1 1 504.193 5.795 50 30 KKEAMM CCCCCCCN1C(=O)N(c2cccc(Cl)c2)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000097949765 553803151 /nfs/dbraw/zinc/80/31/51/553803151.db2.gz JBEWGXFOHRTWPE-JOCHJYFZSA-N -1 1 507.462 7.234 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000097951777 553811082 /nfs/dbraw/zinc/81/10/82/553811082.db2.gz DBIIRGCEZFAHEL-XMMPIXPASA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000097951777 553811084 /nfs/dbraw/zinc/81/10/84/553811084.db2.gz DBIIRGCEZFAHEL-XMMPIXPASA-N -1 1 546.601 5.504 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000097952256 553814468 /nfs/dbraw/zinc/81/44/68/553814468.db2.gz OQLRNOXHGFFULW-VWLOTQADSA-N -1 1 533.049 7.084 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000097952256 553814472 /nfs/dbraw/zinc/81/44/72/553814472.db2.gz OQLRNOXHGFFULW-VWLOTQADSA-N -1 1 533.049 7.084 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097952283 553814485 /nfs/dbraw/zinc/81/44/85/553814485.db2.gz LHKBRLFQZACPHF-JOCHJYFZSA-N -1 1 519.420 6.404 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097952393 553815366 /nfs/dbraw/zinc/81/53/66/553815366.db2.gz AMYANVBAHHNGTE-AREMUKBSSA-N -1 1 528.630 6.493 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097952530 553816236 /nfs/dbraw/zinc/81/62/36/553816236.db2.gz AIRJCWRZFWWNIB-XMMPIXPASA-N -1 1 535.021 6.312 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097952530 553816237 /nfs/dbraw/zinc/81/62/37/553816237.db2.gz AIRJCWRZFWWNIB-XMMPIXPASA-N -1 1 535.021 6.312 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000097952528 553816275 /nfs/dbraw/zinc/81/62/75/553816275.db2.gz JZFCCUUUBJSJOG-RUZDIDTESA-N -1 1 542.613 5.827 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000097952528 553816277 /nfs/dbraw/zinc/81/62/77/553816277.db2.gz JZFCCUUUBJSJOG-RUZDIDTESA-N -1 1 542.613 5.827 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097952535 553816356 /nfs/dbraw/zinc/81/63/56/553816356.db2.gz BOYMKYVYCJJHEU-QHCPKHFHSA-N -1 1 531.546 5.313 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097952570 553816659 /nfs/dbraw/zinc/81/66/59/553816659.db2.gz XVDSUYLHSCENFV-HSZRJFAPSA-N -1 1 549.446 6.413 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097952570 553816660 /nfs/dbraw/zinc/81/66/60/553816660.db2.gz XVDSUYLHSCENFV-HSZRJFAPSA-N -1 1 549.446 6.413 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952595 553817113 /nfs/dbraw/zinc/81/71/13/553817113.db2.gz SRAUJXARLRYCNW-AREMUKBSSA-N -1 1 542.613 5.970 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097953922 553819959 /nfs/dbraw/zinc/81/99/59/553819959.db2.gz FYMFLEJAWRQLQU-AREMUKBSSA-N -1 1 540.597 5.724 50 30 KKEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000027021091 553824024 /nfs/dbraw/zinc/82/40/24/553824024.db2.gz CNLNPITZQNDMFE-QHCPKHFHSA-N -1 1 513.644 6.230 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000027021091 553824027 /nfs/dbraw/zinc/82/40/27/553824027.db2.gz CNLNPITZQNDMFE-QHCPKHFHSA-N -1 1 513.644 6.230 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1C ZINC000097954852 553825872 /nfs/dbraw/zinc/82/58/72/553825872.db2.gz UFBBVLSQAXZQGU-HSZRJFAPSA-N -1 1 534.634 5.898 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1C ZINC000097954852 553825877 /nfs/dbraw/zinc/82/58/77/553825877.db2.gz UFBBVLSQAXZQGU-HSZRJFAPSA-N -1 1 534.634 5.898 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000097954885 553826455 /nfs/dbraw/zinc/82/64/55/553826455.db2.gz KRMLLZMMJPSHEG-QFIPXVFZSA-N -1 1 538.597 5.647 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955021 553827455 /nfs/dbraw/zinc/82/74/55/553827455.db2.gz HXKXCGDYAOBFQG-AKJBCIBTSA-N -1 1 545.060 7.179 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000097955130 553829028 /nfs/dbraw/zinc/82/90/28/553829028.db2.gz NXHNEFXYFUOWAB-NRFANRHFSA-N -1 1 543.370 5.031 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000097955187 553829499 /nfs/dbraw/zinc/82/94/99/553829499.db2.gz BLHXTJOJBYSLCF-HWRSSNJWSA-N -1 1 576.602 5.568 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000097955216 553829832 /nfs/dbraw/zinc/82/98/32/553829832.db2.gz VHGSHLRJPVXKPD-MRDQGFSESA-N -1 1 526.614 6.110 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955253 553830367 /nfs/dbraw/zinc/83/03/67/553830367.db2.gz FNMAQXFMRKZTMM-ODCWNRFASA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955253 553830370 /nfs/dbraw/zinc/83/03/70/553830370.db2.gz FNMAQXFMRKZTMM-ODCWNRFASA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000097955586 553831549 /nfs/dbraw/zinc/83/15/49/553831549.db2.gz OBWWPUGFELGZCX-YHAMSUFESA-N -1 1 542.613 5.810 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955619 553832045 /nfs/dbraw/zinc/83/20/45/553832045.db2.gz WMGDDBWGNABGNP-SGANQWHYSA-N -1 1 547.032 6.455 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955642 553832476 /nfs/dbraw/zinc/83/24/76/553832476.db2.gz XLCWGWZAAIEWAZ-LFPIHBKWSA-N -1 1 533.005 6.065 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097955665 553832568 /nfs/dbraw/zinc/83/25/68/553832568.db2.gz GTHHQEKXVKCVHZ-MUUNZHRXSA-N -1 1 621.111 6.937 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955672 553832800 /nfs/dbraw/zinc/83/28/00/553832800.db2.gz OIFLNOFYRNDDCH-YMGMXPECSA-N -1 1 588.657 6.729 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955672 553832804 /nfs/dbraw/zinc/83/28/04/553832804.db2.gz OIFLNOFYRNDDCH-YMGMXPECSA-N -1 1 588.657 6.729 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097955703 553833130 /nfs/dbraw/zinc/83/31/30/553833130.db2.gz WZSHRQCCPXZPGE-SSEXGKCCSA-N -1 1 614.720 7.127 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097955724 553833201 /nfs/dbraw/zinc/83/32/01/553833201.db2.gz PNNHZIQHDRPYHG-JCQPUDPBSA-N -1 1 520.969 6.195 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955744 553833560 /nfs/dbraw/zinc/83/35/60/553833560.db2.gz UVVKOCZHHIHNEV-NPMABZOXSA-N -1 1 520.969 6.195 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000097955748 553833566 /nfs/dbraw/zinc/83/35/66/553833566.db2.gz VCIJWGKXDIGZOC-PUAOIOHZSA-N -1 1 541.585 5.928 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000097955746 553833624 /nfs/dbraw/zinc/83/36/24/553833624.db2.gz VCIJWGKXDIGZOC-IVCQMTBJSA-N -1 1 541.585 5.928 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955818 553834203 /nfs/dbraw/zinc/83/42/03/553834203.db2.gz ZWIGRVOWZKLLLY-BSEYFRJRSA-N -1 1 533.005 6.065 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955818 553834206 /nfs/dbraw/zinc/83/42/06/553834206.db2.gz ZWIGRVOWZKLLLY-BSEYFRJRSA-N -1 1 533.005 6.065 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955804 553834221 /nfs/dbraw/zinc/83/42/21/553834221.db2.gz KFPMLYTVLDONCL-YRVHBCJASA-N -1 1 602.684 7.119 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955804 553834224 /nfs/dbraw/zinc/83/42/24/553834224.db2.gz KFPMLYTVLDONCL-YRVHBCJASA-N -1 1 602.684 7.119 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955873 553834884 /nfs/dbraw/zinc/83/48/84/553834884.db2.gz HFXHBJCRGQIUGD-YHAMSUFESA-N -1 1 542.613 5.810 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097956556 553839372 /nfs/dbraw/zinc/83/93/72/553839372.db2.gz FXSFLJYGLYTHIK-DXPJPUQTSA-N -1 1 542.588 6.107 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097956556 553839373 /nfs/dbraw/zinc/83/93/73/553839373.db2.gz FXSFLJYGLYTHIK-DXPJPUQTSA-N -1 1 542.588 6.107 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000097956845 553842695 /nfs/dbraw/zinc/84/26/95/553842695.db2.gz FPNIMUNAYMERPG-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000097956845 553842697 /nfs/dbraw/zinc/84/26/97/553842697.db2.gz FPNIMUNAYMERPG-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@H]2c2ccccc2F)nc1C ZINC000097956875 553842923 /nfs/dbraw/zinc/84/29/23/553842923.db2.gz XXRRWHOGRMJNRN-HSZRJFAPSA-N -1 1 548.592 5.590 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097956889 553842993 /nfs/dbraw/zinc/84/29/93/553842993.db2.gz GWDNUFPNEWQWOF-XMMPIXPASA-N -1 1 578.643 5.302 50 30 KKEAMM Cc1cc2nc(-c3cc(/N=C/c4cc(Br)cc(Br)c4O)ccc3[O-])oc2cc1C ZINC000097959173 553861338 /nfs/dbraw/zinc/86/13/38/553861338.db2.gz ZHXDQOFJDRYVSD-KIBLKLHPSA-N -1 1 516.189 6.798 50 30 KKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2cccc(/N=C/c3ccccc3NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000097959225 553862020 /nfs/dbraw/zinc/86/20/20/553862020.db2.gz GNJHMRHGEUIVCN-VJTPSNAYSA-N -1 1 622.772 7.406 50 30 KKEAMM Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000097960855 553873675 /nfs/dbraw/zinc/87/36/75/553873675.db2.gz KAQGFASVWDMITR-NDENLUEZSA-N -1 1 530.631 5.276 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097967035 553913069 /nfs/dbraw/zinc/91/30/69/553913069.db2.gz GOQSNHKMHPACTG-MHZLTWQESA-N -1 1 614.676 5.926 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097967050 553913486 /nfs/dbraw/zinc/91/34/86/553913486.db2.gz SRJYUNQNNFYQML-XMMPIXPASA-N -1 1 560.672 6.192 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097967160 553914482 /nfs/dbraw/zinc/91/44/82/553914482.db2.gz UCENGCFIEIWUDP-HHHXNRCGSA-N -1 1 614.676 6.013 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000097967245 553915739 /nfs/dbraw/zinc/91/57/39/553915739.db2.gz KJUYEXJOIBAZRY-ODCWNRFASA-N -1 1 565.478 7.326 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000097967245 553915741 /nfs/dbraw/zinc/91/57/41/553915741.db2.gz KJUYEXJOIBAZRY-ODCWNRFASA-N -1 1 565.478 7.326 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000097967256 553915801 /nfs/dbraw/zinc/91/58/01/553915801.db2.gz NVOBFLMRNJRDTH-MHZLTWQESA-N -1 1 614.676 6.013 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967301 553916772 /nfs/dbraw/zinc/91/67/72/553916772.db2.gz PATINVOWOKZNQQ-XBBWARJSSA-N -1 1 678.232 7.778 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097967328 553916793 /nfs/dbraw/zinc/91/67/93/553916793.db2.gz TXDTVXIBWAPKEC-OYLFLEFRSA-N -1 1 577.634 6.215 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967304 553916805 /nfs/dbraw/zinc/91/68/05/553916805.db2.gz YTDJRYOERMVAFZ-MQNRADLISA-N -1 1 556.596 5.198 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967304 553916806 /nfs/dbraw/zinc/91/68/06/553916806.db2.gz YTDJRYOERMVAFZ-MQNRADLISA-N -1 1 556.596 5.198 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097967357 553917191 /nfs/dbraw/zinc/91/71/91/553917191.db2.gz LTYMDGVBYOXIHV-OQRWROFFSA-N -1 1 572.639 5.819 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097967357 553917194 /nfs/dbraw/zinc/91/71/94/553917194.db2.gz LTYMDGVBYOXIHV-OQRWROFFSA-N -1 1 572.639 5.819 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967337 553917204 /nfs/dbraw/zinc/91/72/04/553917204.db2.gz QVKCLDMCJOJDRQ-DHYKOVJISA-N -1 1 726.276 8.568 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967362 553917584 /nfs/dbraw/zinc/91/75/84/553917584.db2.gz RXSXRMPGJGOMKV-KWMCUTETSA-N -1 1 664.205 7.388 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967361 553917730 /nfs/dbraw/zinc/91/77/30/553917730.db2.gz RXSXRMPGJGOMKV-JMQGSBJISA-N -1 1 664.205 7.388 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097967436 553918553 /nfs/dbraw/zinc/91/85/53/553918553.db2.gz MZRQUZTYOOVBHV-PWECECGKSA-N -1 1 637.508 6.278 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967428 553918592 /nfs/dbraw/zinc/91/85/92/553918592.db2.gz XMNJAQNYXCVJIG-HHHXNRCGSA-N -1 1 554.624 6.032 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097967446 553918609 /nfs/dbraw/zinc/91/86/09/553918609.db2.gz GAAUQLCHNSTAKL-SSOJOUAXSA-N -1 1 599.690 5.723 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967487 553919363 /nfs/dbraw/zinc/91/93/63/553919363.db2.gz TWOHJPNVIDZPPN-WWOZWPLTSA-N -1 1 614.720 6.989 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000097967499 553919461 /nfs/dbraw/zinc/91/94/61/553919461.db2.gz AHTBQTNYGQAKDN-YKGWIAGDSA-N -1 1 641.815 7.670 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967531 553919751 /nfs/dbraw/zinc/91/97/51/553919751.db2.gz FHOPAFLEIUHOSK-WRGVRERRSA-N -1 1 574.658 7.503 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967535 553919784 /nfs/dbraw/zinc/91/97/84/553919784.db2.gz CTGKVTOMPLIJOC-XGCWNURASA-N -1 1 590.698 6.338 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967535 553919787 /nfs/dbraw/zinc/91/97/87/553919787.db2.gz CTGKVTOMPLIJOC-XGCWNURASA-N -1 1 590.698 6.338 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097967558 553920156 /nfs/dbraw/zinc/92/01/56/553920156.db2.gz OTNJAPKMFWJVKA-IZHWHUGBSA-N -1 1 610.544 7.244 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967600 553920521 /nfs/dbraw/zinc/92/05/21/553920521.db2.gz UBDJPFNAJVDIDI-OLILMLBXSA-N -1 1 662.233 8.015 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000097967592 553920580 /nfs/dbraw/zinc/92/05/80/553920580.db2.gz RPALZPCDFUSIQJ-SFDCACGMSA-N -1 1 571.869 7.363 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967663 553921489 /nfs/dbraw/zinc/92/14/89/553921489.db2.gz XWMIYMVNVLGIBN-WRHNGFHOSA-N -1 1 570.667 6.590 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097967692 553921717 /nfs/dbraw/zinc/92/17/17/553921717.db2.gz VYSLINBLAANUHM-KKIUXKEOSA-N -1 1 622.674 7.129 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097967692 553921720 /nfs/dbraw/zinc/92/17/20/553921720.db2.gz VYSLINBLAANUHM-KKIUXKEOSA-N -1 1 622.674 7.129 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000097967689 553921823 /nfs/dbraw/zinc/92/18/23/553921823.db2.gz DHPUARWSFKWTAH-RSUXDYMJSA-N -1 1 741.891 9.068 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000097967701 553921836 /nfs/dbraw/zinc/92/18/36/553921836.db2.gz ZQVMHQJFPSCQQG-XGCWNURASA-N -1 1 586.666 6.045 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967678 553921856 /nfs/dbraw/zinc/92/18/56/553921856.db2.gz SYYMIMMIEKLIHB-ADXZGYQBSA-N -1 1 584.694 6.817 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967676 553921969 /nfs/dbraw/zinc/92/19/69/553921969.db2.gz DYPMEWPQOCKMHI-PLTNMMHCSA-N -1 1 604.684 7.594 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097967729 553922343 /nfs/dbraw/zinc/92/23/43/553922343.db2.gz UKTBPZRMHASWBI-XRHLQHRESA-N -1 1 620.724 6.312 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097967729 553922345 /nfs/dbraw/zinc/92/23/45/553922345.db2.gz UKTBPZRMHASWBI-XRHLQHRESA-N -1 1 620.724 6.312 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967753 553922813 /nfs/dbraw/zinc/92/28/13/553922813.db2.gz SLHVHCHXIFFGPA-MMTVBGGISA-N -1 1 611.745 6.810 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967815 553923477 /nfs/dbraw/zinc/92/34/77/553923477.db2.gz XQBAFDRHSSGQHK-QJWGWKRISA-N -1 1 604.684 6.990 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097967846 553923938 /nfs/dbraw/zinc/92/39/38/553923938.db2.gz PJZQYUAPKYSNFC-OQRWROFFSA-N -1 1 574.630 6.339 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097967846 553923940 /nfs/dbraw/zinc/92/39/40/553923940.db2.gz PJZQYUAPKYSNFC-OQRWROFFSA-N -1 1 574.630 6.339 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097967829 553923966 /nfs/dbraw/zinc/92/39/66/553923966.db2.gz IDQIMHRJIATBES-OYLFLEFRSA-N -1 1 577.634 6.215 50 30 KKEAMM C[C@H]1CCC[C@H](C)N1c1nc(=NN=Cc2cccc([N+](=O)[O-])c2[O-])nc(N(c2ccccc2)c2ccccc2)[nH]1 ZINC000033353338 553924398 /nfs/dbraw/zinc/92/43/98/553924398.db2.gz WKCAIEXFIOELPP-FNIJFNAWSA-N -1 1 538.612 6.169 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967922 553925270 /nfs/dbraw/zinc/92/52/70/553925270.db2.gz DABRFPDAMTVZST-MHZLTWQESA-N -1 1 606.697 6.176 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967938 553925314 /nfs/dbraw/zinc/92/53/14/553925314.db2.gz AOBHFDSGMBLJGL-MUUNZHRXSA-N -1 1 647.750 6.949 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967990 553926084 /nfs/dbraw/zinc/92/60/84/553926084.db2.gz YFIHGCMNHFEBSH-HHHXNRCGSA-N -1 1 585.638 5.378 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968009 553926095 /nfs/dbraw/zinc/92/60/95/553926095.db2.gz GHMSCXKQVUHYJF-MUUNZHRXSA-N -1 1 678.188 7.001 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000097967996 553926261 /nfs/dbraw/zinc/92/62/61/553926261.db2.gz QLPDDCKTSIZZEL-WJOKGBTCSA-N -1 1 663.777 7.272 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968041 553926589 /nfs/dbraw/zinc/92/65/89/553926589.db2.gz AKYFCUBNBJYFRR-LJAQVGFWSA-N -1 1 657.770 6.656 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097968026 553926593 /nfs/dbraw/zinc/92/65/93/553926593.db2.gz IOYMXDUSHLXLET-QHCPKHFHSA-N -1 1 578.071 6.038 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097968063 553926941 /nfs/dbraw/zinc/92/69/41/553926941.db2.gz DDHHNZVGGLDFSV-PMERELPUSA-N -1 1 614.720 6.982 50 30 KKEAMM COc1cc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1[O-] ZINC000033353791 553927020 /nfs/dbraw/zinc/92/70/20/553927020.db2.gz VVOWUEMHDHOZEJ-RFRGJBDASA-N -1 1 553.500 7.792 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968072 553927106 /nfs/dbraw/zinc/92/71/06/553927106.db2.gz JBFUHULSNCKJHE-PLTNMMHCSA-N -1 1 740.731 9.211 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968086 553927346 /nfs/dbraw/zinc/92/73/46/553927346.db2.gz HNJNLKSKVQPLNG-JGCGQSQUSA-N -1 1 679.820 7.963 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000097968124 553927897 /nfs/dbraw/zinc/92/78/97/553927897.db2.gz OIBOWBWCADIUFP-HSZRJFAPSA-N -1 1 577.615 5.229 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968109 553927915 /nfs/dbraw/zinc/92/79/15/553927915.db2.gz WHKFJHXJUSXTKU-SSEXGKCCSA-N -1 1 651.766 7.327 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968132 553927994 /nfs/dbraw/zinc/92/79/94/553927994.db2.gz PEUOMTJWLVRVPL-AREMUKBSSA-N -1 1 599.690 5.949 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097968144 553928347 /nfs/dbraw/zinc/92/83/47/553928347.db2.gz MVXYXUFQMWNOSH-RUZDIDTESA-N -1 1 615.689 5.480 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC000097968192 553928736 /nfs/dbraw/zinc/92/87/36/553928736.db2.gz KDUXCQLNFPCQDX-XMMPIXPASA-N -1 1 592.098 6.346 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000097968179 553928830 /nfs/dbraw/zinc/92/88/30/553928830.db2.gz HIZSXTNZVKOJRJ-YTTGMZPUSA-N -1 1 728.248 8.016 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968263 553929870 /nfs/dbraw/zinc/92/98/70/553929870.db2.gz VIEDCSWBTLPXKG-MHZLTWQESA-N -1 1 700.622 7.489 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097968277 553929974 /nfs/dbraw/zinc/92/99/74/553929974.db2.gz LPIQYEURHMLBNI-XMMPIXPASA-N -1 1 564.616 5.006 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968280 553929991 /nfs/dbraw/zinc/92/99/91/553929991.db2.gz HSYXARBVPZTKGI-VWLOTQADSA-N -1 1 605.669 5.922 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097968272 553930011 /nfs/dbraw/zinc/93/00/11/553930011.db2.gz LUJQUHUGPPPRSK-PMERELPUSA-N -1 1 691.803 7.491 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968267 553930022 /nfs/dbraw/zinc/93/00/22/553930022.db2.gz ZYZCYXCKRUMVCB-MHZLTWQESA-N -1 1 615.733 6.482 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968284 553930072 /nfs/dbraw/zinc/93/00/72/553930072.db2.gz WQNJPEWXKMWWDO-PMERELPUSA-N -1 1 742.703 8.659 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097968340 553930692 /nfs/dbraw/zinc/93/06/92/553930692.db2.gz VFQMQIPRNIZNKH-DEOSSOPVSA-N -1 1 601.662 5.171 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097968349 553930736 /nfs/dbraw/zinc/93/07/36/553930736.db2.gz PODIDMXCKUYDRJ-XMMPIXPASA-N -1 1 619.652 5.310 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968373 553931141 /nfs/dbraw/zinc/93/11/41/553931141.db2.gz WJOFJUSIWLHHAV-WWOZWPLTSA-N -1 1 726.704 8.821 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000097968370 553931217 /nfs/dbraw/zinc/93/12/17/553931217.db2.gz SHNOUVCSGYFBMP-QHCPKHFHSA-N -1 1 577.615 5.229 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968389 553932002 /nfs/dbraw/zinc/93/20/02/553932002.db2.gz XAXDCPRQUDHEQE-AREMUKBSSA-N -1 1 619.696 6.312 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000097968426 553932572 /nfs/dbraw/zinc/93/25/72/553932572.db2.gz HCJOFGOAKIKZGC-SSEXGKCCSA-N -1 1 708.258 7.862 50 30 KKEAMM CCCCCCCCN1C(=O)N(c2cccc(Cl)c2)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000033355070 553932905 /nfs/dbraw/zinc/93/29/05/553932905.db2.gz NSSVDQKAXKUILJ-QHCPKHFHSA-N -1 1 521.489 7.624 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969121 553936581 /nfs/dbraw/zinc/93/65/81/553936581.db2.gz VWHFSYNIMIFKAS-UKPGIYTDSA-N -1 1 682.223 8.169 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969141 553936842 /nfs/dbraw/zinc/93/68/42/553936842.db2.gz YGFQPUVYTGIHNR-QUGAMOGWSA-N -1 1 603.697 6.475 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969130 553936938 /nfs/dbraw/zinc/93/69/38/553936938.db2.gz NRPXHEPRIBZVTO-XGCWNURASA-N -1 1 556.640 6.200 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969163 553937534 /nfs/dbraw/zinc/93/75/34/553937534.db2.gz VILAKKIEPVUFTC-MUUNZHRXSA-N -1 1 658.729 6.324 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969206 553937733 /nfs/dbraw/zinc/93/77/33/553937733.db2.gz ZWQVZTWMCZGSOH-PLTNMMHCSA-N -1 1 628.747 7.379 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969199 553937747 /nfs/dbraw/zinc/93/77/47/553937747.db2.gz WHALWRZCWJRFPQ-UGDMGKLASA-N -1 1 647.778 7.516 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000097969208 553937916 /nfs/dbraw/zinc/93/79/16/553937916.db2.gz BJFITNPNICJEEC-LFPIHBKWSA-N -1 1 607.482 6.188 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000097969208 553937921 /nfs/dbraw/zinc/93/79/21/553937921.db2.gz BJFITNPNICJEEC-LFPIHBKWSA-N -1 1 607.482 6.188 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969275 553938710 /nfs/dbraw/zinc/93/87/10/553938710.db2.gz QWXFTZGHMPHVBT-OLILMLBXSA-N -1 1 662.233 8.159 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000097969256 553938730 /nfs/dbraw/zinc/93/87/30/553938730.db2.gz MNGCOQPBUCRPPY-ULKXQASOSA-N -1 1 709.821 8.054 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969262 553938736 /nfs/dbraw/zinc/93/87/36/553938736.db2.gz FLXMOMVRKGMXGF-KCWXNJEJSA-N -1 1 627.788 7.506 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969281 553938740 /nfs/dbraw/zinc/93/87/40/553938740.db2.gz ZSFREEOKHPESSI-CLYVBNDRSA-N -1 1 632.163 7.155 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097969305 553939181 /nfs/dbraw/zinc/93/91/81/553939181.db2.gz IYRWEOCMHHKBJK-FZYZMVIOSA-N -1 1 639.129 7.644 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097969329 553939639 /nfs/dbraw/zinc/93/96/39/553939639.db2.gz CVUZUWBAMICSCG-ACSYHNTCSA-N -1 1 568.695 7.280 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097969328 553939815 /nfs/dbraw/zinc/93/98/15/553939815.db2.gz CVUZUWBAMICSCG-WRONEBCDSA-N -1 1 568.695 7.280 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097969330 553939840 /nfs/dbraw/zinc/93/98/40/553939840.db2.gz CVUZUWBAMICSCG-OLILMLBXSA-N -1 1 568.695 7.280 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969579 553942688 /nfs/dbraw/zinc/94/26/88/553942688.db2.gz VNRUWBAMHCCOSQ-GHRAFVERSA-N -1 1 626.775 7.987 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097969738 553944076 /nfs/dbraw/zinc/94/40/76/553944076.db2.gz IMYHRWMRZRXYRP-AREMUKBSSA-N -1 1 577.058 6.683 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969762 553944543 /nfs/dbraw/zinc/94/45/43/553944543.db2.gz YVYAOIAJNXIAIN-OLILMLBXSA-N -1 1 568.695 7.136 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097969751 553944568 /nfs/dbraw/zinc/94/45/68/553944568.db2.gz HWRMOMJNZOYLFC-UZTOHYMASA-N -1 1 583.735 7.060 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097969751 553944573 /nfs/dbraw/zinc/94/45/73/553944573.db2.gz HWRMOMJNZOYLFC-UZTOHYMASA-N -1 1 583.735 7.060 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969778 553944730 /nfs/dbraw/zinc/94/47/30/553944730.db2.gz DTZRQOHKMWMERM-WGDIFIGCSA-N -1 1 603.697 6.475 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969808 553944978 /nfs/dbraw/zinc/94/49/78/553944978.db2.gz XHAMUIFALSWGGX-MUUNZHRXSA-N -1 1 586.666 6.284 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969808 553944980 /nfs/dbraw/zinc/94/49/80/553944980.db2.gz XHAMUIFALSWGGX-MUUNZHRXSA-N -1 1 586.666 6.284 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097969857 553945878 /nfs/dbraw/zinc/94/58/78/553945878.db2.gz VLOZWWNIBNGGET-KEEVHDRGSA-N -1 1 692.259 8.168 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097969853 553946012 /nfs/dbraw/zinc/94/60/12/553946012.db2.gz PZDCVIWSIFGELU-QTEAWJPNSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097969853 553946016 /nfs/dbraw/zinc/94/60/16/553946016.db2.gz PZDCVIWSIFGELU-QTEAWJPNSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969894 553946286 /nfs/dbraw/zinc/94/62/86/553946286.db2.gz PXQLJGLLPHLVNG-YMGMXPECSA-N -1 1 605.112 7.244 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969885 553946326 /nfs/dbraw/zinc/94/63/26/553946326.db2.gz XUSYBQWYCABQCX-GEFUHLBYSA-N -1 1 628.747 7.235 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969885 553946330 /nfs/dbraw/zinc/94/63/30/553946330.db2.gz XUSYBQWYCABQCX-GEFUHLBYSA-N -1 1 628.747 7.235 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969872 553946431 /nfs/dbraw/zinc/94/64/31/553946431.db2.gz MNUSBSTZCQWDBJ-MHZLTWQESA-N -1 1 570.623 5.814 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969872 553946436 /nfs/dbraw/zinc/94/64/36/553946436.db2.gz MNUSBSTZCQWDBJ-MHZLTWQESA-N -1 1 570.623 5.814 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000097969891 553946552 /nfs/dbraw/zinc/94/65/52/553946552.db2.gz CQFCLHSSESUYOL-UKPGIYTDSA-N -1 1 689.831 7.899 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969922 553946783 /nfs/dbraw/zinc/94/67/83/553946783.db2.gz DVIDBKNAHDZCTD-GDJIYFAZSA-N -1 1 632.735 6.478 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969922 553946787 /nfs/dbraw/zinc/94/67/87/553946787.db2.gz DVIDBKNAHDZCTD-GDJIYFAZSA-N -1 1 632.735 6.478 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969912 553946957 /nfs/dbraw/zinc/94/69/57/553946957.db2.gz FGZQKCDTOTUZRF-JCOAXYOVSA-N -1 1 665.768 7.655 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097969938 553947330 /nfs/dbraw/zinc/94/73/30/553947330.db2.gz QPJGNPJEKWYLAM-IVCQMTBJSA-N -1 1 617.680 5.862 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969942 553947378 /nfs/dbraw/zinc/94/73/78/553947378.db2.gz GJLYXBKYSWQUFO-PPHZAIPVSA-N -1 1 599.734 6.726 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969985 553947828 /nfs/dbraw/zinc/94/78/28/553947828.db2.gz QYCCUQNGZKWEFR-XFSFLGPDSA-N -1 1 642.774 7.769 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969979 553947838 /nfs/dbraw/zinc/94/78/38/553947838.db2.gz BBOKVUNJXFWJAH-HZAQMHFWSA-N -1 1 614.720 6.989 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970012 553948212 /nfs/dbraw/zinc/94/82/12/553948212.db2.gz XCXVNGFHBWUOPR-DFXYEROKSA-N -1 1 655.798 7.209 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970065 553948922 /nfs/dbraw/zinc/94/89/22/553948922.db2.gz ODYGJAOXOGXNQP-CPJLOUKISA-N -1 1 590.654 5.308 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970065 553948925 /nfs/dbraw/zinc/94/89/25/553948925.db2.gz ODYGJAOXOGXNQP-CPJLOUKISA-N -1 1 590.654 5.308 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970057 553949037 /nfs/dbraw/zinc/94/90/37/553949037.db2.gz QTBZFWKYUGIHBY-SANMLTNESA-N -1 1 556.596 5.285 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970073 553949042 /nfs/dbraw/zinc/94/90/42/553949042.db2.gz ANSKROOFOOKZOM-SONOPUAISA-N -1 1 584.694 6.980 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C ZINC000097970101 553949465 /nfs/dbraw/zinc/94/94/65/553949465.db2.gz OFVBSQLAYFRLNR-MUUNZHRXSA-N -1 1 648.734 6.316 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097970110 553949514 /nfs/dbraw/zinc/94/95/14/553949514.db2.gz RRQDENMUZHVNLS-WEZXKFLESA-N -1 1 653.156 8.034 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097970110 553949518 /nfs/dbraw/zinc/94/95/18/553949518.db2.gz RRQDENMUZHVNLS-WEZXKFLESA-N -1 1 653.156 8.034 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970114 553949657 /nfs/dbraw/zinc/94/96/57/553949657.db2.gz XTZZZZDKMWQPDM-MYUZEXMDSA-N -1 1 617.724 6.865 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097970117 553949927 /nfs/dbraw/zinc/94/99/27/553949927.db2.gz WKGOUMMXCRKLTE-WZQKQDCOSA-N -1 1 588.638 5.437 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097970117 553949929 /nfs/dbraw/zinc/94/99/29/553949929.db2.gz WKGOUMMXCRKLTE-WZQKQDCOSA-N -1 1 588.638 5.437 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970140 553950103 /nfs/dbraw/zinc/95/01/03/553950103.db2.gz PJJNQLWZNIOHEE-MHZLTWQESA-N -1 1 570.623 5.814 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970140 553950108 /nfs/dbraw/zinc/95/01/08/553950108.db2.gz PJJNQLWZNIOHEE-MHZLTWQESA-N -1 1 570.623 5.814 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970155 553950338 /nfs/dbraw/zinc/95/03/38/553950338.db2.gz JZYLIHHAJMSMOA-SANMLTNESA-N -1 1 556.596 5.424 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970155 553950342 /nfs/dbraw/zinc/95/03/42/553950342.db2.gz JZYLIHHAJMSMOA-SANMLTNESA-N -1 1 556.596 5.424 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097970207 553950859 /nfs/dbraw/zinc/95/08/59/553950859.db2.gz TZUOXWWBQWPETP-KATKFWMUSA-N -1 1 632.738 7.689 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970187 553950882 /nfs/dbraw/zinc/95/08/82/553950882.db2.gz SYQFAILTFXIMJH-XBBWARJSSA-N -1 1 584.694 6.980 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097970184 553950912 /nfs/dbraw/zinc/95/09/12/553950912.db2.gz SYQFAILTFXIMJH-ADXZGYQBSA-N -1 1 584.694 6.980 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097970219 553951301 /nfs/dbraw/zinc/95/13/01/553951301.db2.gz XDUHDAMLSZHPOU-XBBWARJSSA-N -1 1 696.678 8.813 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097970239 553951318 /nfs/dbraw/zinc/95/13/18/553951318.db2.gz XTJQPWARTJMKPI-HZAQMHFWSA-N -1 1 609.103 7.635 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097970239 553951319 /nfs/dbraw/zinc/95/13/19/553951319.db2.gz XTJQPWARTJMKPI-HZAQMHFWSA-N -1 1 609.103 7.635 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970254 553951772 /nfs/dbraw/zinc/95/17/72/553951772.db2.gz NYVFOLBPVSZCDS-HZAQMHFWSA-N -1 1 633.166 8.024 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970254 553951774 /nfs/dbraw/zinc/95/17/74/553951774.db2.gz NYVFOLBPVSZCDS-HZAQMHFWSA-N -1 1 633.166 8.024 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970309 553952402 /nfs/dbraw/zinc/95/24/02/553952402.db2.gz YIWDSJGZLXQJHD-HFJWLAOPSA-N -1 1 590.698 6.304 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970309 553952405 /nfs/dbraw/zinc/95/24/05/553952405.db2.gz YIWDSJGZLXQJHD-HFJWLAOPSA-N -1 1 590.698 6.304 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097970326 553952470 /nfs/dbraw/zinc/95/24/70/553952470.db2.gz LTAASBYYFKPCPE-HZAQMHFWSA-N -1 1 624.715 6.738 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097970326 553952472 /nfs/dbraw/zinc/95/24/72/553952472.db2.gz LTAASBYYFKPCPE-HZAQMHFWSA-N -1 1 624.715 6.738 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000097970358 553953015 /nfs/dbraw/zinc/95/30/15/553953015.db2.gz TYPNRCBRLJCNSC-JCOAXYOVSA-N -1 1 706.286 8.414 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097970377 553953227 /nfs/dbraw/zinc/95/32/27/553953227.db2.gz WDHRFKZKIHCXDL-MYUZEXMDSA-N -1 1 618.708 6.088 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097970377 553953229 /nfs/dbraw/zinc/95/32/29/553953229.db2.gz WDHRFKZKIHCXDL-MYUZEXMDSA-N -1 1 618.708 6.088 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097970366 553953349 /nfs/dbraw/zinc/95/33/49/553953349.db2.gz QLOUPHCQQPCBHU-XMMPIXPASA-N -1 1 639.480 5.726 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000097970373 553953397 /nfs/dbraw/zinc/95/33/97/553953397.db2.gz HGPSLNGYSRVAEG-DWXRJYCRSA-N -1 1 588.682 6.080 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000097970373 553953401 /nfs/dbraw/zinc/95/34/01/553953401.db2.gz HGPSLNGYSRVAEG-DWXRJYCRSA-N -1 1 588.682 6.080 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000097970436 553954079 /nfs/dbraw/zinc/95/40/79/553954079.db2.gz PPYUXVQQZAKLRR-BZQUYTCOSA-N -1 1 621.509 6.496 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970437 553954097 /nfs/dbraw/zinc/95/40/97/553954097.db2.gz GJLGCSMHCYNFFS-MUUNZHRXSA-N -1 1 586.666 6.428 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970437 553954100 /nfs/dbraw/zinc/95/41/00/553954100.db2.gz GJLGCSMHCYNFFS-MUUNZHRXSA-N -1 1 586.666 6.428 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097970470 553954638 /nfs/dbraw/zinc/95/46/38/553954638.db2.gz IBOQZXDXKMPDEA-CLYVBNDRSA-N -1 1 618.180 7.714 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097970470 553954641 /nfs/dbraw/zinc/95/46/41/553954641.db2.gz IBOQZXDXKMPDEA-CLYVBNDRSA-N -1 1 618.180 7.714 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970502 553954947 /nfs/dbraw/zinc/95/49/47/553954947.db2.gz WICDEVOXFPZIPD-CPJLOUKISA-N -1 1 634.135 6.377 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097970489 553954965 /nfs/dbraw/zinc/95/49/65/553954965.db2.gz MCUHKIKQXSIJSQ-KATKFWMUSA-N -1 1 693.847 8.277 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000097970545 553955539 /nfs/dbraw/zinc/95/55/39/553955539.db2.gz BATUKNKMXGSKIR-NGOKVRLYSA-N -1 1 597.762 7.369 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000097970545 553955543 /nfs/dbraw/zinc/95/55/43/553955543.db2.gz BATUKNKMXGSKIR-NGOKVRLYSA-N -1 1 597.762 7.369 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970528 553955623 /nfs/dbraw/zinc/95/56/23/553955623.db2.gz QXKHCNZXMLNJDA-DWXRJYCRSA-N -1 1 585.707 6.335 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970565 553955893 /nfs/dbraw/zinc/95/58/93/553955893.db2.gz GZRSESOBCJBNCF-UKPGIYTDSA-N -1 1 706.286 8.558 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970602 553956296 /nfs/dbraw/zinc/95/62/96/553956296.db2.gz LQEAFIDGTJGIRF-QTEAWJPNSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970602 553956298 /nfs/dbraw/zinc/95/62/98/553956298.db2.gz LQEAFIDGTJGIRF-QTEAWJPNSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097970616 553956898 /nfs/dbraw/zinc/95/68/98/553956898.db2.gz QOUZDBZMIDPHES-CLYVBNDRSA-N -1 1 620.724 6.312 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097970697 553957473 /nfs/dbraw/zinc/95/74/73/553957473.db2.gz RSEGNZCTDVBTEP-CRICUBBOSA-N -1 1 571.680 5.945 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000097970718 553957799 /nfs/dbraw/zinc/95/77/99/553957799.db2.gz IETXFNQHGFZMEB-JCOAXYOVSA-N -1 1 706.286 8.414 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970706 553957832 /nfs/dbraw/zinc/95/78/32/553957832.db2.gz WZILWEGIYCJNJB-XMMPIXPASA-N -1 1 578.643 5.217 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970715 553958001 /nfs/dbraw/zinc/95/80/01/553958001.db2.gz SIVQTGCMDKITIU-PIIWDFAUSA-N -1 1 613.761 7.034 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000097970750 553958223 /nfs/dbraw/zinc/95/82/23/553958223.db2.gz PWYZTXOLDASBGL-UVDDSOTQSA-N -1 1 671.841 7.760 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970762 553958286 /nfs/dbraw/zinc/95/82/86/553958286.db2.gz BGJCALJOSRDVQH-SONOPUAISA-N -1 1 676.216 7.554 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097970930 553959468 /nfs/dbraw/zinc/95/94/68/553959468.db2.gz KHMSAIUTQMDMLV-MUUNZHRXSA-N -1 1 628.703 6.403 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000097971004 553960263 /nfs/dbraw/zinc/96/02/63/553960263.db2.gz CEBSPPRAJLXWHM-AREMUKBSSA-N -1 1 647.547 7.061 50 30 KKEAMM COc1ccc(Nc2nc(N=NCc3cc(I)cc(I)c3[O-])nc(Nc3ccccc3)n2)cc1 ZINC000098001381 554052607 /nfs/dbraw/zinc/05/26/07/554052607.db2.gz GAJKPCIHGAXAQL-LGJNPRDNSA-N -1 1 679.260 5.728 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000098045758 554133724 /nfs/dbraw/zinc/13/37/24/554133724.db2.gz RRGLLGLETJXUMJ-VWLOTQADSA-N -1 1 633.520 6.671 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc1 ZINC000098046035 554135277 /nfs/dbraw/zinc/13/52/77/554135277.db2.gz XRYUPUOZOLRYHU-MUUNZHRXSA-N -1 1 557.002 6.114 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000098046335 554137938 /nfs/dbraw/zinc/13/79/38/554137938.db2.gz ZLBZRMAGIIZCKJ-QFIPXVFZSA-N -1 1 553.036 5.938 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098046420 554138697 /nfs/dbraw/zinc/13/86/97/554138697.db2.gz JYQUKYTWDWPACZ-HHHXNRCGSA-N -1 1 647.775 6.818 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000098046447 554138989 /nfs/dbraw/zinc/13/89/89/554138989.db2.gz UWIOTSMTBNZJGQ-VWLOTQADSA-N -1 1 575.687 6.931 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046480 554139432 /nfs/dbraw/zinc/13/94/32/554139432.db2.gz MYTDSCTUSDNYFN-MUUNZHRXSA-N -1 1 617.768 8.055 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046480 554139436 /nfs/dbraw/zinc/13/94/36/554139436.db2.gz MYTDSCTUSDNYFN-MUUNZHRXSA-N -1 1 617.768 8.055 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000098046463 554139458 /nfs/dbraw/zinc/13/94/58/554139458.db2.gz AEMDFLKQVKZIHP-VWLOTQADSA-N -1 1 626.587 8.099 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098046499 554139856 /nfs/dbraw/zinc/13/98/56/554139856.db2.gz AFMBPNYWIMQLAU-NDEPHWFRSA-N -1 1 643.693 7.692 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098046498 554139939 /nfs/dbraw/zinc/13/99/39/554139939.db2.gz AFMBPNYWIMQLAU-MUUNZHRXSA-N -1 1 643.693 7.692 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Br)c2)nc1C ZINC000098046523 554140123 /nfs/dbraw/zinc/14/01/23/554140123.db2.gz KXCKSRYDNUYZTD-HXUWFJFHSA-N -1 1 537.391 5.946 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC ZINC000098046536 554140153 /nfs/dbraw/zinc/14/01/53/554140153.db2.gz MHVXCWTYQBADDU-LJAQVGFWSA-N -1 1 676.216 8.591 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000098046524 554140311 /nfs/dbraw/zinc/14/03/11/554140311.db2.gz KXCKSRYDNUYZTD-FQEVSTJZSA-N -1 1 537.391 5.946 50 30 KKEAMM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccccc1 ZINC000098046595 554141119 /nfs/dbraw/zinc/14/11/19/554141119.db2.gz NALZYYJPWYCAKE-MHZLTWQESA-N -1 1 553.039 7.312 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000098046595 554141124 /nfs/dbraw/zinc/14/11/24/554141124.db2.gz NALZYYJPWYCAKE-MHZLTWQESA-N -1 1 553.039 7.312 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(O)cc2)nc1C ZINC000098046695 554142390 /nfs/dbraw/zinc/14/23/90/554142390.db2.gz OYZOXOGNEPPRDN-RUZDIDTESA-N -1 1 570.623 5.614 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000098046713 554142720 /nfs/dbraw/zinc/14/27/20/554142720.db2.gz HESCSUOHCFFRKI-JOCHJYFZSA-N -1 1 550.061 6.275 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047254 554148370 /nfs/dbraw/zinc/14/83/70/554148370.db2.gz IMLLLAVAQCDYJE-LJAQVGFWSA-N -1 1 639.730 7.862 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098047256 554148443 /nfs/dbraw/zinc/14/84/43/554148443.db2.gz NTHRRUKXTQDSBT-PMERELPUSA-N -1 1 687.746 7.488 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Br)cc2)cc1F ZINC000098047269 554148806 /nfs/dbraw/zinc/14/88/06/554148806.db2.gz JNZQDXOVHBAGKG-AREMUKBSSA-N -1 1 662.562 7.677 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047281 554148896 /nfs/dbraw/zinc/14/88/96/554148896.db2.gz HZFCUJSVENRMJK-RUZDIDTESA-N -1 1 564.660 5.879 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(O)cc2)cc1F ZINC000098047273 554148915 /nfs/dbraw/zinc/14/89/15/554148915.db2.gz CKRAADJNCWPBMY-AREMUKBSSA-N -1 1 599.665 6.620 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccnc2)cc1 ZINC000098047352 554149511 /nfs/dbraw/zinc/14/95/11/554149511.db2.gz IJSQLJCXPXHECP-XMMPIXPASA-N -1 1 593.130 6.841 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000098047346 554149712 /nfs/dbraw/zinc/14/97/12/554149712.db2.gz VYSZOHXMZXSPCO-AREMUKBSSA-N -1 1 605.713 6.940 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047384 554150140 /nfs/dbraw/zinc/15/01/40/554150140.db2.gz XNGYQYNJDFGEEB-HSZRJFAPSA-N -1 1 537.638 5.641 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098047401 554150445 /nfs/dbraw/zinc/15/04/45/554150445.db2.gz JYFMNUMBSMNCDX-PMERELPUSA-N -1 1 678.276 9.015 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047405 554150652 /nfs/dbraw/zinc/15/06/52/554150652.db2.gz YOLIEUDFPSCCAL-LJAQVGFWSA-N -1 1 647.794 8.110 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047431 554150985 /nfs/dbraw/zinc/15/09/85/554150985.db2.gz ZLQVHAHMZLYPMJ-NDEPHWFRSA-N -1 1 633.767 7.720 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047451 554151332 /nfs/dbraw/zinc/15/13/32/554151332.db2.gz UGEMIUZOVBSZDM-LJAQVGFWSA-N -1 1 645.803 7.508 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047457 554151393 /nfs/dbraw/zinc/15/13/93/554151393.db2.gz UGNQMSBNDZAPBE-XIFFEERXSA-N -1 1 677.848 8.680 50 30 KKEAMM CCCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC ZINC000098047498 554151680 /nfs/dbraw/zinc/15/16/80/554151680.db2.gz NBSXFIGFUSKVPV-YTTGMZPUSA-N -1 1 692.875 8.584 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047557 554152712 /nfs/dbraw/zinc/15/27/12/554152712.db2.gz OXHCHAIZNQBQIK-WJOKGBTCSA-N -1 1 691.847 8.365 50 30 KKEAMM CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098047564 554152781 /nfs/dbraw/zinc/15/27/81/554152781.db2.gz DKRWGLFVJNDNCI-YTTGMZPUSA-N -1 1 687.884 8.760 50 30 KKEAMM CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098047580 554152990 /nfs/dbraw/zinc/15/29/90/554152990.db2.gz DROFBQLWWWEWAN-YTTGMZPUSA-N -1 1 705.874 8.899 50 30 KKEAMM CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098047579 554153005 /nfs/dbraw/zinc/15/30/05/554153005.db2.gz DROFBQLWWWEWAN-JGCGQSQUSA-N -1 1 705.874 8.899 50 30 KKEAMM CCCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098047578 554153036 /nfs/dbraw/zinc/15/30/36/554153036.db2.gz VYYJYGIPNDIVSW-XIFFEERXSA-N -1 1 719.901 9.289 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047581 554153147 /nfs/dbraw/zinc/15/31/47/554153147.db2.gz OOCVJAYQRSCRNV-RUZDIDTESA-N -1 1 620.684 6.840 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047604 554153620 /nfs/dbraw/zinc/15/36/20/554153620.db2.gz FZTGGSADZSMBOO-NDEPHWFRSA-N -1 1 661.802 7.126 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000098047681 554154411 /nfs/dbraw/zinc/15/44/11/554154411.db2.gz OXABTBKSVYBTEB-RUZDIDTESA-N -1 1 626.587 8.099 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047721 554154775 /nfs/dbraw/zinc/15/47/75/554154775.db2.gz CTLFIHCIURAWPV-WJOKGBTCSA-N -1 1 669.800 8.483 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047716 554154829 /nfs/dbraw/zinc/15/48/29/554154829.db2.gz DOEBYSNKOXOLEX-YTTGMZPUSA-N -1 1 699.826 8.492 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047714 554154887 /nfs/dbraw/zinc/15/48/87/554154887.db2.gz IMUACJDCDWPGHH-LJAQVGFWSA-N -1 1 639.730 7.479 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047733 554155275 /nfs/dbraw/zinc/15/52/75/554155275.db2.gz UZQUCIKCKFETDO-GDLZYMKVSA-N -1 1 641.746 7.703 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1F ZINC000098047728 554155324 /nfs/dbraw/zinc/15/53/24/554155324.db2.gz HDDUMLQWFVPTBA-NDEPHWFRSA-N -1 1 643.718 6.931 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Cl)c2)cc1F ZINC000098047828 554156602 /nfs/dbraw/zinc/15/66/02/554156602.db2.gz GGFWZYXPWXRQLR-SANMLTNESA-N -1 1 602.112 7.867 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1O ZINC000098048033 554158870 /nfs/dbraw/zinc/15/88/70/554158870.db2.gz LDIYODTUFLGRMW-DLUDVSRJSA-N -1 1 546.576 5.646 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1O ZINC000098048033 554158871 /nfs/dbraw/zinc/15/88/71/554158871.db2.gz LDIYODTUFLGRMW-DLUDVSRJSA-N -1 1 546.576 5.646 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000098048047 554159175 /nfs/dbraw/zinc/15/91/75/554159175.db2.gz XHOUYEFJMAJKSB-KWMCUTETSA-N -1 1 572.658 6.967 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000098048047 554159178 /nfs/dbraw/zinc/15/91/78/554159178.db2.gz XHOUYEFJMAJKSB-KWMCUTETSA-N -1 1 572.658 6.967 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048054 554159216 /nfs/dbraw/zinc/15/92/16/554159216.db2.gz GSRJQQLWQPBHII-BZQUYTCOSA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048054 554159218 /nfs/dbraw/zinc/15/92/18/554159218.db2.gz GSRJQQLWQPBHII-BZQUYTCOSA-N -1 1 530.577 5.940 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000098050347 554173884 /nfs/dbraw/zinc/17/38/84/554173884.db2.gz PGFWZYPIZUXBLH-NRFANRHFSA-N -1 1 539.009 5.548 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1C ZINC000098050343 554173979 /nfs/dbraw/zinc/17/39/79/554173979.db2.gz GLHYEIXFTQQNJD-NRFANRHFSA-N -1 1 539.009 5.548 50 30 KKEAMM CCCCCCCOc1ccccc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100040360 554191873 /nfs/dbraw/zinc/19/18/73/554191873.db2.gz OWYJQLGUBRFZPJ-UHFFFAOYSA-N -1 1 550.703 7.615 50 30 KKEAMM CC(C)(C)c1ccc(C(=O)Nc2cccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Br)c3[O-])c2)cc1 ZINC000100073717 554203102 /nfs/dbraw/zinc/20/31/02/554203102.db2.gz CHNGKMOOLRNSDY-ALQBTCKLSA-N -1 1 575.934 8.699 50 30 KKEAMM CC1(C)SC(=S)N(/N=C/c2c(F)cccc2Cl)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000100099260 554219549 /nfs/dbraw/zinc/21/95/49/554219549.db2.gz HQVVKJRPZUHMDY-KAOZPYIUSA-N -1 1 521.854 6.482 50 30 KKEAMM Cc1ccc(Nc2nc(=NN=Cc3cc(Br)cc(Br)c3[O-])nc(N3CCOCC3)[nH]2)cc1Cl ZINC000049808664 554326177 /nfs/dbraw/zinc/32/61/77/554326177.db2.gz GGNLKUAQURGZOJ-OPEKNORGSA-N -1 1 597.699 5.090 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053290014 554331263 /nfs/dbraw/zinc/33/12/63/554331263.db2.gz FEJVJPNJRHKFME-LJQANCHMSA-N -1 1 547.416 5.645 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053292290 554332373 /nfs/dbraw/zinc/33/23/73/554332373.db2.gz JOFGGFIZXJNGRG-XMMPIXPASA-N -1 1 535.021 6.530 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053305807 554332750 /nfs/dbraw/zinc/33/27/50/554332750.db2.gz PYEUIRYLLVTZGS-OWJWWREXSA-N -1 1 527.558 5.619 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053305844 554332822 /nfs/dbraw/zinc/33/28/22/554332822.db2.gz IPPYSMWNSXICDU-JOCHJYFZSA-N -1 1 535.965 6.040 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053306227 554333518 /nfs/dbraw/zinc/33/35/18/554333518.db2.gz VALIIMDUQMYYMM-QFIPXVFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053306227 554333521 /nfs/dbraw/zinc/33/35/21/554333521.db2.gz VALIIMDUQMYYMM-QFIPXVFZSA-N -1 1 535.419 6.159 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000053306243 554333601 /nfs/dbraw/zinc/33/36/01/554333601.db2.gz BGYKPFGTLJZUAJ-HSZRJFAPSA-N -1 1 531.546 5.395 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053306160 554333684 /nfs/dbraw/zinc/33/36/84/554333684.db2.gz LKPHAFWZNUZHDZ-HSZRJFAPSA-N -1 1 549.446 6.467 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053306666 554334331 /nfs/dbraw/zinc/33/43/31/554334331.db2.gz WZEAMWYWJGYBCA-OAQYLSRUSA-N -1 1 583.460 5.657 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306660 554334443 /nfs/dbraw/zinc/33/44/43/554334443.db2.gz KUNFFFTYTVZEEV-QHCPKHFHSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306660 554334446 /nfs/dbraw/zinc/33/44/46/554334446.db2.gz KUNFFFTYTVZEEV-QHCPKHFHSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053306954 554334847 /nfs/dbraw/zinc/33/48/47/554334847.db2.gz JANFJLQACDDVHJ-QHCPKHFHSA-N -1 1 531.546 5.395 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000053307277 554335165 /nfs/dbraw/zinc/33/51/65/554335165.db2.gz QOGBBBLDPOVOHI-HXUWFJFHSA-N -1 1 571.449 5.491 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053308202 554335762 /nfs/dbraw/zinc/33/57/62/554335762.db2.gz LONZMDPPOQOGLT-JOCHJYFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053308202 554335765 /nfs/dbraw/zinc/33/57/65/554335765.db2.gz LONZMDPPOQOGLT-JOCHJYFZSA-N -1 1 535.419 6.159 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053319123 554335868 /nfs/dbraw/zinc/33/58/68/554335868.db2.gz FENKUHQYKAQWMP-QFIPXVFZSA-N -1 1 537.410 6.598 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C ZINC000053319097 554335964 /nfs/dbraw/zinc/33/59/64/554335964.db2.gz KRQPUWMXTKLLDP-LJQANCHMSA-N -1 1 557.422 5.101 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000053319176 554336520 /nfs/dbraw/zinc/33/65/20/554336520.db2.gz LYGJLDLTAADZJH-SANMLTNESA-N -1 1 528.630 6.610 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053319207 554336560 /nfs/dbraw/zinc/33/65/60/554336560.db2.gz LAHRGAFGRSZDDW-JOCHJYFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053319207 554336562 /nfs/dbraw/zinc/33/65/62/554336562.db2.gz LAHRGAFGRSZDDW-JOCHJYFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000053319349 554337316 /nfs/dbraw/zinc/33/73/16/554337316.db2.gz IBYSMJGJRJAVLP-NRFANRHFSA-N -1 1 551.577 5.025 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053319447 554338226 /nfs/dbraw/zinc/33/82/26/554338226.db2.gz AIEXQUWTZBIGOD-NPMXOYFQSA-N -1 1 532.618 5.468 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053319451 554338234 /nfs/dbraw/zinc/33/82/34/554338234.db2.gz OLAXROQSGULNRN-NRFANRHFSA-N -1 1 573.454 6.201 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000053332833 554339048 /nfs/dbraw/zinc/33/90/48/554339048.db2.gz CLJYVZNARKAVQD-LFPIHBKWSA-N -1 1 533.005 6.065 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000053333588 554339776 /nfs/dbraw/zinc/33/97/76/554339776.db2.gz HBUNGEMVEMRKAO-DXPJPUQTSA-N -1 1 572.639 5.737 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053333867 554339850 /nfs/dbraw/zinc/33/98/50/554339850.db2.gz ZQVMHQJFPSCQQG-CRYYWNKWSA-N -1 1 586.666 6.045 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053334363 554340282 /nfs/dbraw/zinc/34/02/82/554340282.db2.gz GYCCKGAWHAJPDB-QMTYFTJSSA-N -1 1 570.623 5.588 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053334363 554340287 /nfs/dbraw/zinc/34/02/87/554340287.db2.gz GYCCKGAWHAJPDB-QMTYFTJSSA-N -1 1 570.623 5.588 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000053334752 554340323 /nfs/dbraw/zinc/34/03/23/554340323.db2.gz XYXOGNMJLCCZBV-XDBZFTIUSA-N -1 1 580.662 6.339 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000053334752 554340329 /nfs/dbraw/zinc/34/03/29/554340329.db2.gz XYXOGNMJLCCZBV-XDBZFTIUSA-N -1 1 580.662 6.339 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053335098 554340793 /nfs/dbraw/zinc/34/07/93/554340793.db2.gz QMGXVMABECFHJD-GDJIYFAZSA-N -1 1 554.668 6.890 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000053335306 554341155 /nfs/dbraw/zinc/34/11/55/554341155.db2.gz XEIZTVGACLRNCD-DEOSSOPVSA-N -1 1 549.004 5.903 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053335982 554341536 /nfs/dbraw/zinc/34/15/36/554341536.db2.gz FPIFOBFPDCFIKZ-VWLOTQADSA-N -1 1 528.586 5.476 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000053336492 554341756 /nfs/dbraw/zinc/34/17/56/554341756.db2.gz JXZXLTNFENXDMS-YRVHBCJASA-N -1 1 595.076 7.848 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000053336492 554341760 /nfs/dbraw/zinc/34/17/60/554341760.db2.gz JXZXLTNFENXDMS-YRVHBCJASA-N -1 1 595.076 7.848 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053337356 554342069 /nfs/dbraw/zinc/34/20/69/554342069.db2.gz RVFBZUUSSBOFIF-MQNRADLISA-N -1 1 591.483 6.564 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053337885 554342395 /nfs/dbraw/zinc/34/23/95/554342395.db2.gz HFVOJCAJLVCJFD-HSZRJFAPSA-N -1 1 534.977 5.512 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053337697 554342447 /nfs/dbraw/zinc/34/24/47/554342447.db2.gz FNTFVSBOFIHCPI-MHZLTWQESA-N -1 1 556.640 6.256 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053338499 554342791 /nfs/dbraw/zinc/34/27/91/554342791.db2.gz OZCGVPFPLKUTKR-DNOBIOAJSA-N -1 1 540.641 6.418 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000053338742 554342857 /nfs/dbraw/zinc/34/28/57/554342857.db2.gz KRLVJZGMFUJUKE-JOCHJYFZSA-N -1 1 549.948 5.412 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053339904 554343898 /nfs/dbraw/zinc/34/38/98/554343898.db2.gz UGGMAUWYQQHSKB-SXBQZSJRSA-N -1 1 581.477 7.108 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053340095 554343937 /nfs/dbraw/zinc/34/39/37/554343937.db2.gz SWURJMMSXFHDAF-VWLOTQADSA-N -1 1 528.586 5.558 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053340438 554344239 /nfs/dbraw/zinc/34/42/39/554344239.db2.gz KWUCMKWMFUQMTQ-OAQYLSRUSA-N -1 1 538.603 5.175 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100677748 554444614 /nfs/dbraw/zinc/44/46/14/554444614.db2.gz NOTZBEHHZQLBHN-JOCHJYFZSA-N -1 1 536.625 6.156 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100677748 554444616 /nfs/dbraw/zinc/44/46/16/554444616.db2.gz NOTZBEHHZQLBHN-JOCHJYFZSA-N -1 1 536.625 6.156 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100677322 554444725 /nfs/dbraw/zinc/44/47/25/554444725.db2.gz PZSDRSUZAMPJOF-HSZRJFAPSA-N -1 1 548.636 6.322 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100677322 554444727 /nfs/dbraw/zinc/44/47/27/554444727.db2.gz PZSDRSUZAMPJOF-HSZRJFAPSA-N -1 1 548.636 6.322 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100677774 554444903 /nfs/dbraw/zinc/44/49/03/554444903.db2.gz HPGVKSGTQRDQIH-MHZLTWQESA-N -1 1 622.740 6.778 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000100678338 554444933 /nfs/dbraw/zinc/44/49/33/554444933.db2.gz HWYCZCRKQABHDR-SANMLTNESA-N -1 1 608.713 6.243 50 30 KKEAMM CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100677761 554445075 /nfs/dbraw/zinc/44/50/75/554445075.db2.gz WDECYXKUTDQVRG-SANMLTNESA-N -1 1 610.704 6.826 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000100679427 554445285 /nfs/dbraw/zinc/44/52/85/554445285.db2.gz QXUXFTMTSIADJG-DEOSSOPVSA-N -1 1 580.659 5.607 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100679885 554445651 /nfs/dbraw/zinc/44/56/51/554445651.db2.gz JUSQYVHEPVSVML-VWLOTQADSA-N -1 1 576.671 6.155 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100679939 554445983 /nfs/dbraw/zinc/44/59/83/554445983.db2.gz GPHVIAZOOPJJOW-AREMUKBSSA-N -1 1 606.697 6.163 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000100680019 554446218 /nfs/dbraw/zinc/44/62/18/554446218.db2.gz OAKALDDLHSHELM-DEOSSOPVSA-N -1 1 546.645 6.065 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000100680019 554446220 /nfs/dbraw/zinc/44/62/20/554446220.db2.gz OAKALDDLHSHELM-DEOSSOPVSA-N -1 1 546.645 6.065 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCC)cc2)nc1C ZINC000100680388 554446670 /nfs/dbraw/zinc/44/66/70/554446670.db2.gz HJOCTBZTLYXUMC-HHHXNRCGSA-N -1 1 604.725 6.935 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000100680675 554446688 /nfs/dbraw/zinc/44/66/88/554446688.db2.gz FWEPEOVLKCMWGL-RUZDIDTESA-N -1 1 592.670 5.860 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000100681089 554447200 /nfs/dbraw/zinc/44/72/00/554447200.db2.gz JKYHNCRWTDENEE-OAQYLSRUSA-N -1 1 575.470 6.507 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000100681017 554447212 /nfs/dbraw/zinc/44/72/12/554447212.db2.gz ZHEXPEKUAAPQKE-JOCHJYFZSA-N -1 1 538.597 5.729 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000100681439 554447504 /nfs/dbraw/zinc/44/75/04/554447504.db2.gz YBGOHABOYLVKKK-FQEVSTJZSA-N -1 1 526.973 5.678 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000100681473 554447839 /nfs/dbraw/zinc/44/78/39/554447839.db2.gz KEFDCBSJFMVLBF-HXUWFJFHSA-N -1 1 571.424 5.787 50 30 KKEAMM CCOc1cc(/C=N/c2cc3c4c(c2)[C@@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1[O-] ZINC000100814944 554475855 /nfs/dbraw/zinc/47/58/55/554475855.db2.gz SYRMJTYLDCMPAS-BAUDQUINSA-N -1 1 567.527 8.182 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000101062637 554570681 /nfs/dbraw/zinc/57/06/81/554570681.db2.gz MNRZSZBJIIKHHZ-NHFXJNLRSA-N -1 1 526.343 5.269 50 30 KKEAMM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccc(Br)cc3)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000101063433 554570995 /nfs/dbraw/zinc/57/09/95/554570995.db2.gz VKJDGCXRDVGHCW-OXUBWTJQSA-N -1 1 580.243 5.604 50 30 KKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069800 554574488 /nfs/dbraw/zinc/57/44/88/554574488.db2.gz SJRVUQOZJUOZDX-HOGKFDNTSA-N -1 1 510.771 5.931 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101073001 554576551 /nfs/dbraw/zinc/57/65/51/554576551.db2.gz YERGFBURMABQGZ-ASBZNUFUSA-N -1 1 525.449 6.363 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101073001 554576554 /nfs/dbraw/zinc/57/65/54/554576554.db2.gz YERGFBURMABQGZ-ASBZNUFUSA-N -1 1 525.449 6.363 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072836 554576615 /nfs/dbraw/zinc/57/66/15/554576615.db2.gz LHWNJMXHKUMHSU-LFVOPCPISA-N -1 1 511.422 6.055 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101100208 554587116 /nfs/dbraw/zinc/58/71/16/554587116.db2.gz VJEOYVDWWSUJNM-IAMBOQNYSA-N -1 1 537.410 6.441 50 30 KKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)sc1C ZINC000101100201 554587167 /nfs/dbraw/zinc/58/71/67/554587167.db2.gz FIMYYOISEQLWDA-GHNGSUTGSA-N -1 1 503.805 5.802 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000101101540 554638760 /nfs/dbraw/zinc/63/87/60/554638760.db2.gz VNUFXSJKPBOSAL-MOBKVPTQSA-N -1 1 583.847 6.110 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000101101517 554638778 /nfs/dbraw/zinc/63/87/78/554638778.db2.gz QLTDDCIANGJKIY-JBCNATCCSA-N -1 1 505.393 5.994 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276794 554703158 /nfs/dbraw/zinc/70/31/58/554703158.db2.gz BGIIRRBXPGSAHO-ROBPHKHBSA-N -1 1 616.692 5.708 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276794 554703160 /nfs/dbraw/zinc/70/31/60/554703160.db2.gz BGIIRRBXPGSAHO-ROBPHKHBSA-N -1 1 616.692 5.708 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276812 554703349 /nfs/dbraw/zinc/70/33/49/554703349.db2.gz MMAKXGFXONHFFK-QJGFIUGVSA-N -1 1 622.699 6.323 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276812 554703352 /nfs/dbraw/zinc/70/33/52/554703352.db2.gz MMAKXGFXONHFFK-QJGFIUGVSA-N -1 1 622.699 6.323 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276833 554703550 /nfs/dbraw/zinc/70/35/50/554703550.db2.gz SPFVGAOJEUVWQT-CJJGVWJISA-N -1 1 618.664 5.155 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000101277686 554704169 /nfs/dbraw/zinc/70/41/69/554704169.db2.gz UMXBGCUBEDCIAO-SBXHHDGASA-N -1 1 560.672 6.035 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000101277827 554704223 /nfs/dbraw/zinc/70/42/23/554704223.db2.gz TWOCCGOGJKRYNA-AYWGPLOBSA-N -1 1 532.618 5.300 50 30 KKEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000101292855 554709655 /nfs/dbraw/zinc/70/96/55/554709655.db2.gz IZYXUCYAPGRWIQ-QFIPXVFZSA-N -1 1 540.516 7.186 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294231 554710908 /nfs/dbraw/zinc/71/09/08/554710908.db2.gz MPHZLDYCWXABLD-RFAFYKRUSA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294231 554710910 /nfs/dbraw/zinc/71/09/10/554710910.db2.gz MPHZLDYCWXABLD-RFAFYKRUSA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101294225 554710989 /nfs/dbraw/zinc/71/09/89/554710989.db2.gz GYDKRBGTAFHIRU-FZIYRNTBSA-N -1 1 538.625 6.119 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101294240 554710996 /nfs/dbraw/zinc/71/09/96/554710996.db2.gz MZFYKDGBAYVSFI-SSELITHESA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101294240 554710999 /nfs/dbraw/zinc/71/09/99/554710999.db2.gz MZFYKDGBAYVSFI-SSELITHESA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294274 554711166 /nfs/dbraw/zinc/71/11/66/554711166.db2.gz IYUDZHPKSBRVPZ-XKNZNLGKSA-N -1 1 568.651 6.210 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000101310243 554717212 /nfs/dbraw/zinc/71/72/12/554717212.db2.gz JOGWWNRRUDBNSK-WBMUNJTESA-N -1 1 590.654 5.151 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000101310243 554717214 /nfs/dbraw/zinc/71/72/14/554717214.db2.gz JOGWWNRRUDBNSK-WBMUNJTESA-N -1 1 590.654 5.151 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313267 554721699 /nfs/dbraw/zinc/72/16/99/554721699.db2.gz URPRUANNOLVLLZ-CZNAVJSXSA-N -1 1 526.614 6.113 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313473 554721876 /nfs/dbraw/zinc/72/18/76/554721876.db2.gz JVRMZLKKRZTCEV-NPJIAGGLSA-N -1 1 512.587 5.804 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000101313724 554722148 /nfs/dbraw/zinc/72/21/48/554722148.db2.gz YLCDUJXVEBOAGL-RFAFYKRUSA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000101313724 554722149 /nfs/dbraw/zinc/72/21/49/554722149.db2.gz YLCDUJXVEBOAGL-RFAFYKRUSA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313940 554722448 /nfs/dbraw/zinc/72/24/48/554722448.db2.gz FDPUKXFYKQCKCY-CZNAVJSXSA-N -1 1 556.596 5.267 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313940 554722451 /nfs/dbraw/zinc/72/24/51/554722451.db2.gz FDPUKXFYKQCKCY-CZNAVJSXSA-N -1 1 556.596 5.267 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313932 554722500 /nfs/dbraw/zinc/72/25/00/554722500.db2.gz VHHRRLUWPCBNDQ-CJJGVWJISA-N -1 1 540.597 5.567 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000101316895 554724146 /nfs/dbraw/zinc/72/41/46/554724146.db2.gz OXKIEFSDSZCXRX-NGAXIMOQSA-N -1 1 597.718 6.345 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000101316973 554724339 /nfs/dbraw/zinc/72/43/39/554724339.db2.gz XPIZKVVEMNGGDW-JVJOXMINSA-N -1 1 615.708 6.484 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000101338220 554734843 /nfs/dbraw/zinc/73/48/43/554734843.db2.gz JNSMYSZVJDIXKA-QHCPKHFHSA-N -1 1 610.088 6.501 50 30 KKEAMM CCCc1nnc(N2C(=O)C([O-])=C(C(=O)c3sc(-c4ccccc4)nc3C)[C@@H]2c2ccc(CC)cc2)s1 ZINC000101344547 554736795 /nfs/dbraw/zinc/73/67/95/554736795.db2.gz NZQHTEODMYBTGX-QFIPXVFZSA-N -1 1 530.675 6.268 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2F)cc1F ZINC000101344533 554736804 /nfs/dbraw/zinc/73/68/04/554736804.db2.gz BZVDZLTYPOPIMQ-AREMUKBSSA-N -1 1 585.657 7.353 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2F)cc1F ZINC000101344535 554736823 /nfs/dbraw/zinc/73/68/23/554736823.db2.gz BZVDZLTYPOPIMQ-SANMLTNESA-N -1 1 585.657 7.353 50 30 KKEAMM COc1ccc(OC)c([C@H]2c3c(=O)[n-]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101376390 554746363 /nfs/dbraw/zinc/74/63/63/554746363.db2.gz JBYLNDKWKYFFRP-JOCHJYFZSA-N -1 1 538.069 5.933 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000102076517 554874649 /nfs/dbraw/zinc/87/46/49/554874649.db2.gz OBFLSFPLBSAUBE-WZLGSTDNSA-N -1 1 504.608 5.518 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102076542 554874829 /nfs/dbraw/zinc/87/48/29/554874829.db2.gz AIHTVJDFXIHUJU-XVTRYDTASA-N -1 1 560.672 6.029 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102076568 554874833 /nfs/dbraw/zinc/87/48/33/554874833.db2.gz JMMWTGIGTHZLKX-QJGFIUGVSA-N -1 1 568.695 6.979 50 30 KKEAMM CC1(C)[C@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccccc1F ZINC000102412576 554923851 /nfs/dbraw/zinc/92/38/51/554923851.db2.gz AWRFTRMLQHGDQS-QHCPKHFHSA-N -1 1 598.519 7.376 50 30 KKEAMM CC1(C)[C@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccc(F)cc1 ZINC000102413085 554923949 /nfs/dbraw/zinc/92/39/49/554923949.db2.gz MCTLDBHTGRHQBK-QHCPKHFHSA-N -1 1 598.519 7.376 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102484087 554937675 /nfs/dbraw/zinc/93/76/75/554937675.db2.gz UPONJHGEEXOERW-HOGKFDNTSA-N -1 1 508.958 6.114 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000102484987 554938015 /nfs/dbraw/zinc/93/80/15/554938015.db2.gz LUIQCLQBUUEKDA-HOGKFDNTSA-N -1 1 541.398 5.378 50 30 KKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000102487386 554938539 /nfs/dbraw/zinc/93/85/39/554938539.db2.gz KKPWPNRCCUCTKS-IUKMQXEJSA-N -1 1 500.938 5.842 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102488937 554938820 /nfs/dbraw/zinc/93/88/20/554938820.db2.gz VIPDPBREHCPCFI-HOGKFDNTSA-N -1 1 551.418 5.702 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102491322 554939473 /nfs/dbraw/zinc/93/94/73/554939473.db2.gz HSYXSTMMMXKYOU-AYWGPLOBSA-N -1 1 504.539 5.469 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102492902 554939652 /nfs/dbraw/zinc/93/96/52/554939652.db2.gz NFGPANVWQHVKPP-MOBKVPTQSA-N -1 1 506.967 5.593 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102495577 554940331 /nfs/dbraw/zinc/94/03/31/554940331.db2.gz NQNRDWHZMWFUQA-SBXHHDGASA-N -1 1 503.023 7.008 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102495367 554940375 /nfs/dbraw/zinc/94/03/75/554940375.db2.gz GOUSCDLTFYJBLA-JBCNATCCSA-N -1 1 524.957 5.732 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102496159 554940548 /nfs/dbraw/zinc/94/05/48/554940548.db2.gz ANOHNDVBKVHJGX-AYWGPLOBSA-N -1 1 534.565 5.396 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102496159 554940551 /nfs/dbraw/zinc/94/05/51/554940551.db2.gz ANOHNDVBKVHJGX-AYWGPLOBSA-N -1 1 534.565 5.396 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102497590 554941285 /nfs/dbraw/zinc/94/12/85/554941285.db2.gz AJWILOZBGBPUAV-AYWGPLOBSA-N -1 1 565.445 6.092 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102497983 554941319 /nfs/dbraw/zinc/94/13/19/554941319.db2.gz LOIUCDARSFSYJN-SBXHHDGASA-N -1 1 500.576 5.638 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102497599 554941342 /nfs/dbraw/zinc/94/13/42/554941342.db2.gz AJWILOZBGBPUAV-ZHHPLPSFSA-N -1 1 565.445 6.092 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102501941 554943432 /nfs/dbraw/zinc/94/34/32/554943432.db2.gz JDXFZPCPWOBLIZ-JBCNATCCSA-N -1 1 511.386 6.238 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102507506 554944847 /nfs/dbraw/zinc/94/48/47/554944847.db2.gz XKWOVWVUTFEWJS-BUANBSPESA-N -1 1 533.005 5.979 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102507506 554944849 /nfs/dbraw/zinc/94/48/49/554944849.db2.gz XKWOVWVUTFEWJS-BUANBSPESA-N -1 1 533.005 5.979 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102508747 554945673 /nfs/dbraw/zinc/94/56/73/554945673.db2.gz AQEPKBAHDBFNEY-IUKMQXEJSA-N -1 1 500.507 5.098 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102513235 554947052 /nfs/dbraw/zinc/94/70/52/554947052.db2.gz DMCVBSVKLXTYOS-UVDRRRQGSA-N -1 1 502.567 6.077 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1 ZINC000102514967 554947652 /nfs/dbraw/zinc/94/76/52/554947652.db2.gz IKJUZZKYWIKVJV-MRJHHRETSA-N -1 1 524.570 5.182 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102516564 554947803 /nfs/dbraw/zinc/94/78/03/554947803.db2.gz SRRGIMJFMPGXMJ-MOBKVPTQSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102516564 554947806 /nfs/dbraw/zinc/94/78/06/554947806.db2.gz SRRGIMJFMPGXMJ-MOBKVPTQSA-N -1 1 504.539 5.387 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102517472 554948484 /nfs/dbraw/zinc/94/84/84/554948484.db2.gz JTCZLOPLZBGZBX-DFXXOVSGSA-N -1 1 628.703 6.159 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102519062 554949020 /nfs/dbraw/zinc/94/90/20/554949020.db2.gz ONOGOGKPMIJYFT-JBCNATCCSA-N -1 1 555.837 6.347 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102519146 554949358 /nfs/dbraw/zinc/94/93/58/554949358.db2.gz JBVXFGAPAAZEOO-QOJBNDRUSA-N -1 1 515.443 6.908 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102520623 554949666 /nfs/dbraw/zinc/94/96/66/554949666.db2.gz WVYJHNJDLOUMPO-MRJHHRETSA-N -1 1 539.382 5.833 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102524645 554951375 /nfs/dbraw/zinc/95/13/75/554951375.db2.gz LYDLXOLMPAULSP-NXLSWJSLSA-N -1 1 530.602 5.647 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102524636 554951380 /nfs/dbraw/zinc/95/13/80/554951380.db2.gz LYDLXOLMPAULSP-SBXHHDGASA-N -1 1 530.602 5.647 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102525531 554951958 /nfs/dbraw/zinc/95/19/58/554951958.db2.gz RVXIVDUNPJAPIQ-AYWGPLOBSA-N -1 1 504.539 5.469 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102526380 554952116 /nfs/dbraw/zinc/95/21/16/554952116.db2.gz UFEVMAQHWZNFSE-SBXHHDGASA-N -1 1 502.567 6.159 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102526380 554952119 /nfs/dbraw/zinc/95/21/19/554952119.db2.gz UFEVMAQHWZNFSE-SBXHHDGASA-N -1 1 502.567 6.159 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102529944 554953447 /nfs/dbraw/zinc/95/34/47/554953447.db2.gz SDRHGBNICKOYJR-NXLSWJSLSA-N -1 1 534.565 5.478 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102529508 554953486 /nfs/dbraw/zinc/95/34/86/554953486.db2.gz IFVPGPZEVCVFRF-NXLSWJSLSA-N -1 1 517.050 7.182 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000102532245 554954083 /nfs/dbraw/zinc/95/40/83/554954083.db2.gz GGBDHJHXLWDZII-AYWGPLOBSA-N -1 1 508.596 5.192 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102531515 554954230 /nfs/dbraw/zinc/95/42/30/554954230.db2.gz POGGZIIQASDNEN-SBXHHDGASA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102531515 554954231 /nfs/dbraw/zinc/95/42/31/554954231.db2.gz POGGZIIQASDNEN-SBXHHDGASA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102539090 554956758 /nfs/dbraw/zinc/95/67/58/554956758.db2.gz UDETZAVCIXRWOY-NXLSWJSLSA-N -1 1 500.576 5.638 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102539234 554956891 /nfs/dbraw/zinc/95/68/91/554956891.db2.gz MWFGSGPXLUIKNB-MOBKVPTQSA-N -1 1 535.419 6.002 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102539234 554956893 /nfs/dbraw/zinc/95/68/93/554956893.db2.gz MWFGSGPXLUIKNB-MOBKVPTQSA-N -1 1 535.419 6.002 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102546867 554959716 /nfs/dbraw/zinc/95/97/16/554959716.db2.gz LVOZOFLAAJFTJN-FSDXSRJSSA-N -1 1 589.670 5.928 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102547522 554959933 /nfs/dbraw/zinc/95/99/33/554959933.db2.gz RHDNGQLAVGJGME-KWBQTAPJSA-N -1 1 541.585 5.771 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102548924 554960585 /nfs/dbraw/zinc/96/05/85/554960585.db2.gz ABRLQZFVXMEBCH-FECHNCLXSA-N -1 1 565.420 6.148 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102549414 554961098 /nfs/dbraw/zinc/96/10/98/554961098.db2.gz SVNNMAXLKBVGHC-FZIYRNTBSA-N -1 1 601.725 7.043 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102549414 554961101 /nfs/dbraw/zinc/96/11/01/554961101.db2.gz SVNNMAXLKBVGHC-FZIYRNTBSA-N -1 1 601.725 7.043 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102552984 554962805 /nfs/dbraw/zinc/96/28/05/554962805.db2.gz SRMCSQULUMKDJZ-MOBKVPTQSA-N -1 1 551.349 5.160 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102552792 554962832 /nfs/dbraw/zinc/96/28/32/554962832.db2.gz WONYJSPSLHICTQ-MWCANZRFSA-N -1 1 599.690 5.567 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102555508 554964058 /nfs/dbraw/zinc/96/40/58/554964058.db2.gz RWQQUWIIFFJOOS-LLAWDOGUSA-N -1 1 590.698 6.181 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102555508 554964060 /nfs/dbraw/zinc/96/40/60/554964060.db2.gz RWQQUWIIFFJOOS-LLAWDOGUSA-N -1 1 590.698 6.181 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102556378 554964724 /nfs/dbraw/zinc/96/47/24/554964724.db2.gz UPIQRAGMWFYBMF-NPAJZZOTSA-N -1 1 570.667 6.490 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102558233 554965589 /nfs/dbraw/zinc/96/55/89/554965589.db2.gz HAHPEXHKRBPKDI-YSJQHINGSA-N -1 1 628.747 7.222 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102558877 554966325 /nfs/dbraw/zinc/96/63/25/554966325.db2.gz DOBNJMBPYNCHIW-RFAFYKRUSA-N -1 1 561.059 6.688 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102558877 554966326 /nfs/dbraw/zinc/96/63/26/554966326.db2.gz DOBNJMBPYNCHIW-RFAFYKRUSA-N -1 1 561.059 6.688 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102559399 554966917 /nfs/dbraw/zinc/96/69/17/554966917.db2.gz KYCFAHFYMJWKMC-CZNAVJSXSA-N -1 1 510.615 6.219 50 30 KKEAMM CC1(C)[C@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000102560207 554967502 /nfs/dbraw/zinc/96/75/02/554967502.db2.gz MQTLFDWDQUGBMS-QFIPXVFZSA-N -1 1 584.492 7.334 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102559994 554967560 /nfs/dbraw/zinc/96/75/60/554967560.db2.gz IHLZJUIYRSSNBV-XTUFCYCQSA-N -1 1 570.667 6.434 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102560251 554967630 /nfs/dbraw/zinc/96/76/30/554967630.db2.gz MVMSKDYEQDGIJJ-YSJQHINGSA-N -1 1 604.684 7.437 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102562462 554968652 /nfs/dbraw/zinc/96/86/52/554968652.db2.gz DPIIJOYCKVMVNF-NPJIAGGLSA-N -1 1 563.031 6.136 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102563412 554968899 /nfs/dbraw/zinc/96/88/99/554968899.db2.gz BLYHBIIIFSMMKQ-FSISNWKMSA-N -1 1 577.456 6.017 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102564590 554969582 /nfs/dbraw/zinc/96/95/82/554969582.db2.gz PJNJRJMWNLPGHS-FLJNSMSWSA-N -1 1 619.139 7.333 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102564590 554969584 /nfs/dbraw/zinc/96/95/84/554969584.db2.gz PJNJRJMWNLPGHS-FLJNSMSWSA-N -1 1 619.139 7.333 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102580244 554972189 /nfs/dbraw/zinc/97/21/89/554972189.db2.gz BUHRNTXPCZGUPO-ZHHPLPSFSA-N -1 1 612.516 6.535 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102581880 554972667 /nfs/dbraw/zinc/97/26/67/554972667.db2.gz VPNFQZKSJMTAAS-SBXHHDGASA-N -1 1 608.097 5.890 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102586732 554973251 /nfs/dbraw/zinc/97/32/51/554973251.db2.gz UEVPYOSUSDJRQZ-NPJIAGGLSA-N -1 1 512.587 5.565 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102586143 554973294 /nfs/dbraw/zinc/97/32/94/554973294.db2.gz JVEIDLADPWFWMF-IKZPYDRGSA-N -1 1 558.631 6.564 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102586143 554973298 /nfs/dbraw/zinc/97/32/98/554973298.db2.gz JVEIDLADPWFWMF-IKZPYDRGSA-N -1 1 558.631 6.564 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000102589003 554973866 /nfs/dbraw/zinc/97/38/66/554973866.db2.gz MJECKADPLYITDS-VAGBDARLSA-N -1 1 504.608 5.662 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000102591476 554974216 /nfs/dbraw/zinc/97/42/16/554974216.db2.gz LREPNWJIZRERQB-IUKMQXEJSA-N -1 1 622.124 6.280 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102597757 554977097 /nfs/dbraw/zinc/97/70/97/554977097.db2.gz RWDZHHAUIVRIPK-NXLSWJSLSA-N -1 1 619.652 5.154 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000102600269 554977609 /nfs/dbraw/zinc/97/76/09/554977609.db2.gz KIQHEXZFZPIQGH-AYWGPLOBSA-N -1 1 577.615 5.073 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000102602614 554977954 /nfs/dbraw/zinc/97/79/54/554977954.db2.gz UPSVQCFJHVINHM-UUALVTFQSA-N -1 1 538.669 6.954 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102603945 554978212 /nfs/dbraw/zinc/97/82/12/554978212.db2.gz JSPULEZSPRKWOB-XTUFCYCQSA-N -1 1 572.658 6.954 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102603945 554978215 /nfs/dbraw/zinc/97/82/15/554978215.db2.gz JSPULEZSPRKWOB-XTUFCYCQSA-N -1 1 572.658 6.954 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000102606086 554978877 /nfs/dbraw/zinc/97/88/77/554978877.db2.gz MDOXMGKFDWYYDC-MYYSRTQBSA-N -1 1 535.622 5.140 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102607177 554979888 /nfs/dbraw/zinc/97/98/88/554979888.db2.gz QLZAZYCRLSAQCF-CJJGVWJISA-N -1 1 585.707 6.351 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102608802 554980527 /nfs/dbraw/zinc/98/05/27/554980527.db2.gz QXAIZQWVOSSERS-WRPQUVRJSA-N -1 1 594.089 6.573 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102615855 554984362 /nfs/dbraw/zinc/98/43/62/554984362.db2.gz DWBZJNOTACKMTQ-ONQGDUAMSA-N -1 1 582.634 5.631 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102621265 554987144 /nfs/dbraw/zinc/98/71/44/554987144.db2.gz RRJRXYUKRBHSHM-TXTDGAROSA-N -1 1 629.760 6.715 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102651403 554995994 /nfs/dbraw/zinc/99/59/94/554995994.db2.gz BRTFTJCTAMQURM-WRMLLFLMSA-N -1 1 568.695 7.042 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102652703 554996844 /nfs/dbraw/zinc/99/68/44/554996844.db2.gz NDLPCZAVICQZPR-CZNAVJSXSA-N -1 1 604.681 5.761 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102652483 554996919 /nfs/dbraw/zinc/99/69/19/554996919.db2.gz SVNNMAXLKBVGHC-ROBPHKHBSA-N -1 1 601.725 7.043 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102652483 554996923 /nfs/dbraw/zinc/99/69/23/554996923.db2.gz SVNNMAXLKBVGHC-ROBPHKHBSA-N -1 1 601.725 7.043 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102653362 554997220 /nfs/dbraw/zinc/99/72/20/554997220.db2.gz JJQBQLNPHNFHHE-KNZGKXHUSA-N -1 1 516.550 5.394 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102654276 554997631 /nfs/dbraw/zinc/99/76/31/554997631.db2.gz DOBNJMBPYNCHIW-SSELITHESA-N -1 1 561.059 6.688 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102654276 554997633 /nfs/dbraw/zinc/99/76/33/554997633.db2.gz DOBNJMBPYNCHIW-SSELITHESA-N -1 1 561.059 6.688 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102655728 554998674 /nfs/dbraw/zinc/99/86/74/554998674.db2.gz JDKJQRWSMZONRS-VDGASQMCSA-N -1 1 633.166 7.723 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102655728 554998676 /nfs/dbraw/zinc/99/86/76/554998676.db2.gz JDKJQRWSMZONRS-VDGASQMCSA-N -1 1 633.166 7.723 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102657819 554999630 /nfs/dbraw/zinc/99/96/30/554999630.db2.gz GYPXYUOVEMRLPW-WGQAXHKASA-N -1 1 516.550 5.394 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102657819 554999631 /nfs/dbraw/zinc/99/96/31/554999631.db2.gz GYPXYUOVEMRLPW-WGQAXHKASA-N -1 1 516.550 5.394 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102660271 555000206 /nfs/dbraw/zinc/00/02/06/555000206.db2.gz RKHMZLNNNWTEFP-BBHOXHGRSA-N -1 1 594.089 6.573 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102671882 555002701 /nfs/dbraw/zinc/00/27/01/555002701.db2.gz FQDRLVDWJCSRNM-CZNAVJSXSA-N -1 1 542.613 5.826 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102673382 555003079 /nfs/dbraw/zinc/00/30/79/555003079.db2.gz IHAFYXDHGXPMTC-HALAOQOWSA-N -1 1 592.098 6.139 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)cc1C ZINC000102692146 555008640 /nfs/dbraw/zinc/00/86/40/555008640.db2.gz HLGXNAGMLZAFIS-QKJBWNOYSA-N -1 1 544.629 5.874 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102691726 555008654 /nfs/dbraw/zinc/00/86/54/555008654.db2.gz RAGBEVMELIGGAJ-IUKMQXEJSA-N -1 1 530.602 5.511 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102698485 555012198 /nfs/dbraw/zinc/01/21/98/555012198.db2.gz CLJCKWKZFDTLNH-HOGKFDNTSA-N -1 1 536.631 5.572 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102698485 555012200 /nfs/dbraw/zinc/01/22/00/555012200.db2.gz CLJCKWKZFDTLNH-HOGKFDNTSA-N -1 1 536.631 5.572 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102699286 555012410 /nfs/dbraw/zinc/01/24/10/555012410.db2.gz MCRPZUYMIDHYMF-ZHHPLPSFSA-N -1 1 534.590 5.412 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000102701993 555013152 /nfs/dbraw/zinc/01/31/52/555013152.db2.gz VEAIFWKVYVICDD-AYWGPLOBSA-N -1 1 504.995 6.201 50 30 KKEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000102704957 555013933 /nfs/dbraw/zinc/01/39/33/555013933.db2.gz QXWZMJUCTOQPQB-HOGKFDNTSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000102704957 555013934 /nfs/dbraw/zinc/01/39/34/555013934.db2.gz QXWZMJUCTOQPQB-HOGKFDNTSA-N -1 1 501.520 5.148 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102708286 555015947 /nfs/dbraw/zinc/01/59/47/555015947.db2.gz ZDIAUAGSYICEOT-NXLSWJSLSA-N -1 1 529.574 5.792 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102708286 555015950 /nfs/dbraw/zinc/01/59/50/555015950.db2.gz ZDIAUAGSYICEOT-NXLSWJSLSA-N -1 1 529.574 5.792 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102709569 555016042 /nfs/dbraw/zinc/01/60/42/555016042.db2.gz LVCUJKMETFGRLY-UUALVTFQSA-N -1 1 542.657 6.671 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102711314 555016747 /nfs/dbraw/zinc/01/67/47/555016747.db2.gz PYUVVAGUTZDGQO-IUKMQXEJSA-N -1 1 517.050 7.262 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)c1 ZINC000102713436 555017681 /nfs/dbraw/zinc/01/76/81/555017681.db2.gz ZMHKGWCBWVDRGA-AYWGPLOBSA-N -1 1 516.575 5.257 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)c1 ZINC000102713434 555017716 /nfs/dbraw/zinc/01/77/16/555017716.db2.gz ZMHKGWCBWVDRGA-ZHHPLPSFSA-N -1 1 516.575 5.257 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000102714408 555017876 /nfs/dbraw/zinc/01/78/76/555017876.db2.gz BZYYSEGETWHQPL-SBXHHDGASA-N -1 1 516.575 5.257 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102714682 555018233 /nfs/dbraw/zinc/01/82/33/555018233.db2.gz BJWHODQGDKLQJI-ONQGDUAMSA-N -1 1 542.657 6.673 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102717103 555018902 /nfs/dbraw/zinc/01/89/02/555018902.db2.gz UCPJGJNKFWNIKT-NXLSWJSLSA-N -1 1 500.620 6.684 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102722578 555020700 /nfs/dbraw/zinc/02/07/00/555020700.db2.gz SWGCEHWJSRNVME-MOBKVPTQSA-N -1 1 537.410 6.387 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102723962 555021002 /nfs/dbraw/zinc/02/10/02/555021002.db2.gz KQCPJNDNCJMZBX-HOGKFDNTSA-N -1 1 509.414 6.792 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102727312 555022365 /nfs/dbraw/zinc/02/23/65/555022365.db2.gz KDIYTGADGKAZIX-HOGKFDNTSA-N -1 1 506.605 5.564 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102727312 555022366 /nfs/dbraw/zinc/02/23/66/555022366.db2.gz KDIYTGADGKAZIX-HOGKFDNTSA-N -1 1 506.605 5.564 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102727687 555022567 /nfs/dbraw/zinc/02/25/67/555022567.db2.gz JCTBQMDBVHJQSJ-ZHHPLPSFSA-N -1 1 533.447 6.556 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC(C)C)cc2)c1 ZINC000102729942 555023224 /nfs/dbraw/zinc/02/32/24/555023224.db2.gz YTCOMQHNSHOFEQ-NPJIAGGLSA-N -1 1 514.603 6.027 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102735478 555025445 /nfs/dbraw/zinc/02/54/45/555025445.db2.gz KBNHGJJMAILFAX-JNYBUSFRSA-N -1 1 588.685 7.133 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102735615 555025781 /nfs/dbraw/zinc/02/57/81/555025781.db2.gz AQEXSDXEEVLINK-XLNMUAQOSA-N -1 1 504.514 5.524 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000102735596 555025789 /nfs/dbraw/zinc/02/57/89/555025789.db2.gz WOTDXPVZNGCLAU-ZTLVYLBESA-N -1 1 514.578 6.002 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735550 555025864 /nfs/dbraw/zinc/02/58/64/555025864.db2.gz AOMFXNQLRZDOAH-NXLSVDECSA-N -1 1 609.103 7.478 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735550 555025865 /nfs/dbraw/zinc/02/58/65/555025865.db2.gz AOMFXNQLRZDOAH-NXLSVDECSA-N -1 1 609.103 7.478 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735567 555025903 /nfs/dbraw/zinc/02/59/03/555025903.db2.gz MVXYYBMZRJUPNX-IZSGBISHSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735567 555025905 /nfs/dbraw/zinc/02/59/05/555025905.db2.gz MVXYYBMZRJUPNX-IZSGBISHSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000102736987 555026389 /nfs/dbraw/zinc/02/63/89/555026389.db2.gz GODSRMBHFPUGCQ-KYWXLPDZSA-N -1 1 518.978 5.605 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000102736987 555026391 /nfs/dbraw/zinc/02/63/91/555026391.db2.gz GODSRMBHFPUGCQ-KYWXLPDZSA-N -1 1 518.978 5.605 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736985 555026449 /nfs/dbraw/zinc/02/64/49/555026449.db2.gz UXLVVDZMFOWANP-JRPVAJNPSA-N -1 1 557.584 5.553 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736966 555026485 /nfs/dbraw/zinc/02/64/85/555026485.db2.gz TWAIIZIRKRLBJO-GMBUILNLSA-N -1 1 543.557 5.163 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736928 555026535 /nfs/dbraw/zinc/02/65/35/555026535.db2.gz FGDSXLUFVPIPLJ-KYWXLPDZSA-N -1 1 547.976 5.808 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102770934 555058654 /nfs/dbraw/zinc/05/86/54/555058654.db2.gz RLIBNWNQZBNIAR-UJWLLDLUSA-N -1 1 545.060 7.023 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102770958 555058952 /nfs/dbraw/zinc/05/89/52/555058952.db2.gz FWFREGLYWZXMRU-FZIYRNTBSA-N -1 1 618.180 7.557 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102770958 555058955 /nfs/dbraw/zinc/05/89/55/555058955.db2.gz FWFREGLYWZXMRU-FZIYRNTBSA-N -1 1 618.180 7.557 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771065 555059405 /nfs/dbraw/zinc/05/94/05/555059405.db2.gz PVQYELIFUBRXEV-KYWXLPDZSA-N -1 1 520.969 6.039 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102771021 555059450 /nfs/dbraw/zinc/05/94/50/555059450.db2.gz IPRDAECSNPLPKC-AIKCTZLLSA-N -1 1 500.551 5.694 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102771141 555059692 /nfs/dbraw/zinc/05/96/92/555059692.db2.gz PHGPWOXZHLYLPG-BBHOXHGRSA-N -1 1 527.558 5.463 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000102771188 555059722 /nfs/dbraw/zinc/05/97/22/555059722.db2.gz ZOZYALPVZXONLJ-NIOKHIIOSA-N -1 1 512.587 5.568 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC000102771300 555060044 /nfs/dbraw/zinc/06/00/44/555060044.db2.gz BQXRHKGOCCDQNE-NEMSTITPSA-N -1 1 590.126 6.742 50 30 KKEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000102789051 555068522 /nfs/dbraw/zinc/06/85/22/555068522.db2.gz KFQCOHMBQRMZEO-HXUWFJFHSA-N -1 1 606.421 5.567 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102799695 555072424 /nfs/dbraw/zinc/07/24/24/555072424.db2.gz DMIPASDLBXREJG-NHFXJNLRSA-N -1 1 525.026 5.815 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102799695 555072425 /nfs/dbraw/zinc/07/24/25/555072425.db2.gz DMIPASDLBXREJG-NHFXJNLRSA-N -1 1 525.026 5.815 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102856392 555088103 /nfs/dbraw/zinc/08/81/03/555088103.db2.gz LXOLRMXEMUCSML-HOGKFDNTSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102856392 555088105 /nfs/dbraw/zinc/08/81/05/555088105.db2.gz LXOLRMXEMUCSML-HOGKFDNTSA-N -1 1 504.539 5.387 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102860786 555091297 /nfs/dbraw/zinc/09/12/97/555091297.db2.gz UHPSVPVHAUESMW-AYWGPLOBSA-N -1 1 531.546 5.238 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102862383 555092535 /nfs/dbraw/zinc/09/25/35/555092535.db2.gz NUUWVHORENNYLX-CJJGVWJISA-N -1 1 542.657 6.627 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102866235 555095504 /nfs/dbraw/zinc/09/55/04/555095504.db2.gz SWYPGKNOVBZZIN-NPJIAGGLSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102866235 555095506 /nfs/dbraw/zinc/09/55/06/555095506.db2.gz SWYPGKNOVBZZIN-NPJIAGGLSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102866907 555096356 /nfs/dbraw/zinc/09/63/56/555096356.db2.gz FQSUBMYJJXMJJN-CJJGVWJISA-N -1 1 574.611 5.197 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102866907 555096358 /nfs/dbraw/zinc/09/63/58/555096358.db2.gz FQSUBMYJJXMJJN-CJJGVWJISA-N -1 1 574.611 5.197 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102867177 555096658 /nfs/dbraw/zinc/09/66/58/555096658.db2.gz RIBVZVGGOFRWOL-XXASTYAFSA-N -1 1 556.640 6.099 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000102868128 555097589 /nfs/dbraw/zinc/09/75/89/555097589.db2.gz BQFJQTSJPSOERR-YDJIHCHBSA-N -1 1 547.630 6.491 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102868805 555098137 /nfs/dbraw/zinc/09/81/37/555098137.db2.gz WDAKSWYEFBFCQM-ZZIWUOEGSA-N -1 1 533.005 5.964 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102868805 555098140 /nfs/dbraw/zinc/09/81/40/555098140.db2.gz WDAKSWYEFBFCQM-ZZIWUOEGSA-N -1 1 533.005 5.964 50 30 KKEAMM Cc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102869226 555098517 /nfs/dbraw/zinc/09/85/17/555098517.db2.gz GAUIZDOODRXRBD-ZHHPLPSFSA-N -1 1 518.978 5.656 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102869226 555098519 /nfs/dbraw/zinc/09/85/19/555098519.db2.gz GAUIZDOODRXRBD-ZHHPLPSFSA-N -1 1 518.978 5.656 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102869509 555098825 /nfs/dbraw/zinc/09/88/25/555098825.db2.gz VJHROUKXINXEAE-YFVVEFNMSA-N -1 1 613.761 6.959 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102869640 555099158 /nfs/dbraw/zinc/09/91/58/555099158.db2.gz WTTCCECBSHTVAU-PDZZUNKHSA-N -1 1 588.657 6.573 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102869640 555099159 /nfs/dbraw/zinc/09/91/59/555099159.db2.gz WTTCCECBSHTVAU-PDZZUNKHSA-N -1 1 588.657 6.573 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000102869852 555099429 /nfs/dbraw/zinc/09/94/29/555099429.db2.gz KJLZSQLRWLCGBZ-NYFCFKJUSA-N -1 1 600.693 6.442 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102869914 555099647 /nfs/dbraw/zinc/09/96/47/555099647.db2.gz FALOVJUBMUJRHH-JBODOUGHSA-N -1 1 546.576 5.402 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102869914 555099648 /nfs/dbraw/zinc/09/96/48/555099648.db2.gz FALOVJUBMUJRHH-JBODOUGHSA-N -1 1 546.576 5.402 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102869918 555099708 /nfs/dbraw/zinc/09/97/08/555099708.db2.gz FALOVJUBMUJRHH-ANCNPBKRSA-N -1 1 546.576 5.402 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102869918 555099711 /nfs/dbraw/zinc/09/97/11/555099711.db2.gz FALOVJUBMUJRHH-ANCNPBKRSA-N -1 1 546.576 5.402 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102870105 555100075 /nfs/dbraw/zinc/10/00/75/555100075.db2.gz VXXGKWCJZVJXKV-NPAJZZOTSA-N -1 1 586.666 6.108 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870699 555100949 /nfs/dbraw/zinc/10/09/49/555100949.db2.gz YEOGAGWOQUCRTC-VXJPNWOUSA-N -1 1 568.695 7.123 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102872954 555103544 /nfs/dbraw/zinc/10/35/44/555103544.db2.gz KGDINQBMIOGYCN-NXLSWJSLSA-N -1 1 544.585 5.117 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102873705 555104023 /nfs/dbraw/zinc/10/40/23/555104023.db2.gz 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/nfs/dbraw/zinc/10/72/38/555107238.db2.gz XOJOXGDJFTUDKS-SBXHHDGASA-N -1 1 518.566 5.859 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000102878226 555107545 /nfs/dbraw/zinc/10/75/45/555107545.db2.gz AEFZQGTZMQGCDN-UUALVTFQSA-N -1 1 526.545 5.206 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000102878226 555107547 /nfs/dbraw/zinc/10/75/47/555107547.db2.gz AEFZQGTZMQGCDN-UUALVTFQSA-N -1 1 526.545 5.206 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102878603 555107787 /nfs/dbraw/zinc/10/77/87/555107787.db2.gz GZWKYSXLJNKSGY-HVESIFNPSA-N -1 1 503.363 5.171 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102879143 555108420 /nfs/dbraw/zinc/10/84/20/555108420.db2.gz POTPGKDNMWKDKM-ZHHPLPSFSA-N -1 1 516.575 5.257 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102881721 555110090 /nfs/dbraw/zinc/11/00/90/555110090.db2.gz KWPHZHPCHZAQDX-CJJGVWJISA-N -1 1 530.964 5.850 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102881723 555110262 /nfs/dbraw/zinc/11/02/62/555110262.db2.gz KWPHZHPCHZAQDX-CZNAVJSXSA-N -1 1 530.964 5.850 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102882538 555110708 /nfs/dbraw/zinc/11/07/08/555110708.db2.gz QNCYMUULJLIJQO-BUANBSPESA-N -1 1 534.590 5.467 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102882538 555110711 /nfs/dbraw/zinc/11/07/11/555110711.db2.gz QNCYMUULJLIJQO-BUANBSPESA-N -1 1 534.590 5.467 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102882782 555111165 /nfs/dbraw/zinc/11/11/65/555111165.db2.gz PTZNZLBNZAIQDZ-ZHHPLPSFSA-N -1 1 504.539 5.469 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102882871 555111373 /nfs/dbraw/zinc/11/13/73/555111373.db2.gz NXAULRNGZPRPIC-SBXHHDGASA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102882871 555111376 /nfs/dbraw/zinc/11/13/76/555111376.db2.gz NXAULRNGZPRPIC-SBXHHDGASA-N -1 1 546.601 5.347 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102882927 555111427 /nfs/dbraw/zinc/11/14/27/555111427.db2.gz FXILAMULQCHRTG-IDTYTIONSA-N -1 1 509.392 5.233 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102883455 555111710 /nfs/dbraw/zinc/11/17/10/555111710.db2.gz GJIJGJVOECYPCV-ZHHPLPSFSA-N -1 1 534.977 5.356 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102883793 555112296 /nfs/dbraw/zinc/11/22/96/555112296.db2.gz ILTCQIDYJRRCQM-AYWGPLOBSA-N -1 1 520.994 5.902 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102883793 555112298 /nfs/dbraw/zinc/11/22/98/555112298.db2.gz ILTCQIDYJRRCQM-AYWGPLOBSA-N -1 1 520.994 5.902 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102884352 555113232 /nfs/dbraw/zinc/11/32/32/555113232.db2.gz LJGAGEOLJCPNAX-CZNAVJSXSA-N -1 1 574.655 5.910 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102884531 555113555 /nfs/dbraw/zinc/11/35/55/555113555.db2.gz WZDSJZYFPBNZRD-IWUDECAASA-N -1 1 539.009 5.231 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102884661 555114148 /nfs/dbraw/zinc/11/41/48/555114148.db2.gz SBUCTQDPQWJYEJ-XXAHXYPMSA-N -1 1 604.684 6.834 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102884665 555114279 /nfs/dbraw/zinc/11/42/79/555114279.db2.gz XVHXNBYDRSZXMT-IUKMQXEJSA-N -1 1 560.628 5.574 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102886093 555116264 /nfs/dbraw/zinc/11/62/64/555116264.db2.gz LDMFZYRTXJWMSN-ONQGDUAMSA-N -1 1 570.623 5.518 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102886300 555116674 /nfs/dbraw/zinc/11/66/74/555116674.db2.gz QFWIUGHNMRRFKI-ZHHPLPSFSA-N -1 1 502.523 5.141 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102886300 555116675 /nfs/dbraw/zinc/11/66/75/555116675.db2.gz QFWIUGHNMRRFKI-ZHHPLPSFSA-N -1 1 502.523 5.141 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102886351 555116957 /nfs/dbraw/zinc/11/69/57/555116957.db2.gz PZDCWPVYYXHEBH-JRPVAJNPSA-N -1 1 528.586 5.263 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102886921 555117803 /nfs/dbraw/zinc/11/78/03/555117803.db2.gz LYZBYQMEQCPQPC-NXLSWJSLSA-N -1 1 517.006 6.310 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102887061 555117806 /nfs/dbraw/zinc/11/78/06/555117806.db2.gz JZJGRYSKRWGPNW-VDGASQMCSA-N -1 1 590.657 7.047 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102887247 555118476 /nfs/dbraw/zinc/11/84/76/555118476.db2.gz RTHQXQUYQWGYDB-JRWYTTBRSA-N -1 1 598.721 7.050 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102887242 555118684 /nfs/dbraw/zinc/11/86/84/555118684.db2.gz AHBQYMOHVRJNBR-DFXXOVSGSA-N -1 1 586.666 6.127 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102887242 555118686 /nfs/dbraw/zinc/11/86/86/555118686.db2.gz AHBQYMOHVRJNBR-DFXXOVSGSA-N -1 1 586.666 6.127 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102887305 555118837 /nfs/dbraw/zinc/11/88/37/555118837.db2.gz BBQMRYCDWAPUOX-ROBPHKHBSA-N -1 1 617.724 6.708 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(O)cc2)o1 ZINC000102887496 555119177 /nfs/dbraw/zinc/11/91/77/555119177.db2.gz WXFYOHQSEAPWGK-NHFXJNLRSA-N -1 1 505.577 5.064 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000102887389 555119235 /nfs/dbraw/zinc/11/92/35/555119235.db2.gz OZTDYJQKQYADMJ-CGKJMNDRSA-N -1 1 528.586 5.350 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102888261 555121148 /nfs/dbraw/zinc/12/11/48/555121148.db2.gz FWTOIUXJIIMMQG-PLWHFILJSA-N -1 1 613.717 5.875 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102888740 555122140 /nfs/dbraw/zinc/12/21/40/555122140.db2.gz YRQQHAVJLJHLBP-OGHRCCBNSA-N -1 1 546.645 5.783 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102888791 555122238 /nfs/dbraw/zinc/12/22/38/555122238.db2.gz HUUQWLZHHRYXKK-QBTYMPIYSA-N -1 1 575.086 7.078 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102888791 555122242 /nfs/dbraw/zinc/12/22/42/555122242.db2.gz HUUQWLZHHRYXKK-QBTYMPIYSA-N -1 1 575.086 7.078 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102888874 555122485 /nfs/dbraw/zinc/12/24/85/555122485.db2.gz DFIQWXFXKAMDTH-ZLYDLHQSSA-N -1 1 599.734 6.487 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102888875 555122558 /nfs/dbraw/zinc/12/25/58/555122558.db2.gz DFIQWXFXKAMDTH-NGAXIMOQSA-N -1 1 599.734 6.487 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888828 555122562 /nfs/dbraw/zinc/12/25/62/555122562.db2.gz ZJTAPFRWBWCSOF-TXTDGAROSA-N -1 1 586.666 6.271 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888828 555122564 /nfs/dbraw/zinc/12/25/64/555122564.db2.gz ZJTAPFRWBWCSOF-TXTDGAROSA-N -1 1 586.666 6.271 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102888926 555122773 /nfs/dbraw/zinc/12/27/73/555122773.db2.gz FYJDJTKGBZYCRM-RFRSNRLQSA-N -1 1 614.720 6.888 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccncc2)o1 ZINC000102888969 555122983 /nfs/dbraw/zinc/12/29/83/555122983.db2.gz FICRXUJVGOLQHQ-YDJIHCHBSA-N -1 1 504.593 5.062 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102889175 555123139 /nfs/dbraw/zinc/12/31/39/555123139.db2.gz FZEBWGZORDTNHW-NPJIAGGLSA-N -1 1 592.670 5.595 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102889309 555123477 /nfs/dbraw/zinc/12/34/77/555123477.db2.gz RCMYYDQKANRILW-JBODOUGHSA-N -1 1 576.602 5.411 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102889329 555123581 /nfs/dbraw/zinc/12/35/81/555123581.db2.gz ARFBWYBMMUICAY-NPJIAGGLSA-N -1 1 592.670 5.451 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000102889563 555123813 /nfs/dbraw/zinc/12/38/13/555123813.db2.gz MOEWHYVMYSZBCK-FSDXSRJSSA-N -1 1 592.670 5.375 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102889901 555124501 /nfs/dbraw/zinc/12/45/01/555124501.db2.gz JDKNVKNBCXBXAQ-WGGXKBPPSA-N -1 1 616.692 6.280 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102889901 555124504 /nfs/dbraw/zinc/12/45/04/555124504.db2.gz JDKNVKNBCXBXAQ-WGGXKBPPSA-N -1 1 616.692 6.280 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102890080 555124946 /nfs/dbraw/zinc/12/49/46/555124946.db2.gz UPPQUOIYUXXAIC-AMKIGSDESA-N -1 1 606.697 5.765 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102890080 555124949 /nfs/dbraw/zinc/12/49/49/555124949.db2.gz UPPQUOIYUXXAIC-AMKIGSDESA-N -1 1 606.697 5.765 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102890078 555125069 /nfs/dbraw/zinc/12/50/69/555125069.db2.gz UPPQUOIYUXXAIC-TVXPFAQOSA-N -1 1 606.697 5.765 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102890078 555125071 /nfs/dbraw/zinc/12/50/71/555125071.db2.gz UPPQUOIYUXXAIC-TVXPFAQOSA-N -1 1 606.697 5.765 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(Br)cc3s2)cc1 ZINC000102890280 555125340 /nfs/dbraw/zinc/12/53/40/555125340.db2.gz XNSCGMOJARMWEI-JBCNATCCSA-N -1 1 521.392 5.694 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(Br)cc3s2)cc1 ZINC000102890280 555125343 /nfs/dbraw/zinc/12/53/43/555125343.db2.gz XNSCGMOJARMWEI-JBCNATCCSA-N -1 1 521.392 5.694 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102890427 555125653 /nfs/dbraw/zinc/12/56/53/555125653.db2.gz AYNPCPBFCQURER-APJFQNNPSA-N -1 1 626.775 7.686 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102890803 555126148 /nfs/dbraw/zinc/12/61/48/555126148.db2.gz USCHGNKNXKGUAN-NXLSVDECSA-N -1 1 616.711 7.353 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102890803 555126150 /nfs/dbraw/zinc/12/61/50/555126150.db2.gz USCHGNKNXKGUAN-NXLSVDECSA-N -1 1 616.711 7.353 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102891480 555127163 /nfs/dbraw/zinc/12/71/63/555127163.db2.gz FYKAOPJNFUYTGC-CIKQMSCWSA-N -1 1 546.645 5.701 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102892319 555128501 /nfs/dbraw/zinc/12/85/01/555128501.db2.gz SHGLAKCPWIJNIY-SBXHHDGASA-N -1 1 559.556 5.001 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102892713 555128984 /nfs/dbraw/zinc/12/89/84/555128984.db2.gz YXHABXSFOQDFLG-FSISNWKMSA-N -1 1 544.560 5.172 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102892820 555129318 /nfs/dbraw/zinc/12/93/18/555129318.db2.gz OSVYJVDUWANVJZ-QDMOOSCLSA-N -1 1 567.450 6.561 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102892818 555129333 /nfs/dbraw/zinc/12/93/33/555129333.db2.gz OSVYJVDUWANVJZ-KGDZIIOTSA-N -1 1 567.450 6.561 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102893105 555129925 /nfs/dbraw/zinc/12/99/25/555129925.db2.gz QPJQNKNTCAZHCV-OGHRCCBNSA-N -1 1 617.680 5.706 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893203 555130126 /nfs/dbraw/zinc/13/01/26/555130126.db2.gz HJVCROFSPPPJOS-UVBGKEGMSA-N -1 1 582.722 7.432 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102893408 555130771 /nfs/dbraw/zinc/13/07/71/555130771.db2.gz CZCLGMGOHAQFNX-VEZPTTSMSA-N -1 1 630.719 6.670 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102894276 555132299 /nfs/dbraw/zinc/13/22/99/555132299.db2.gz ZAAPLIVPEWJEMQ-LLAWDOGUSA-N -1 1 540.641 6.378 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102894565 555132559 /nfs/dbraw/zinc/13/25/59/555132559.db2.gz OJGCSHQZMQWPKO-IOUQRVAPSA-N -1 1 585.707 6.179 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102894709 555132921 /nfs/dbraw/zinc/13/29/21/555132921.db2.gz HNJMTSZRYIGONN-MWCANZRFSA-N -1 1 576.671 5.613 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102894709 555132923 /nfs/dbraw/zinc/13/29/23/555132923.db2.gz HNJMTSZRYIGONN-MWCANZRFSA-N -1 1 576.671 5.613 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102894706 555132957 /nfs/dbraw/zinc/13/29/57/555132957.db2.gz HNJMTSZRYIGONN-OTQMSCLFSA-N -1 1 576.671 5.613 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102894706 555132959 /nfs/dbraw/zinc/13/29/59/555132959.db2.gz HNJMTSZRYIGONN-OTQMSCLFSA-N -1 1 576.671 5.613 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102895306 555134020 /nfs/dbraw/zinc/13/40/20/555134020.db2.gz LXDGEFHFEZQFJQ-IUKMQXEJSA-N -1 1 530.602 5.511 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895298 555134056 /nfs/dbraw/zinc/13/40/56/555134056.db2.gz PIZAIKGBJNXDET-WGQAXHKASA-N -1 1 533.005 5.908 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895298 555134057 /nfs/dbraw/zinc/13/40/57/555134057.db2.gz PIZAIKGBJNXDET-WGQAXHKASA-N -1 1 533.005 5.908 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102895725 555134844 /nfs/dbraw/zinc/13/48/44/555134844.db2.gz ICFCGXWZFNCMMB-GRBPGWBESA-N -1 1 619.139 7.477 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102895730 555134957 /nfs/dbraw/zinc/13/49/57/555134957.db2.gz ICFCGXWZFNCMMB-GBIFRDBCSA-N -1 1 619.139 7.477 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102898097 555138151 /nfs/dbraw/zinc/13/81/51/555138151.db2.gz RYSHPFHGJJEEDV-VMFRQMAUSA-N -1 1 568.651 6.071 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102898097 555138152 /nfs/dbraw/zinc/13/81/52/555138152.db2.gz RYSHPFHGJJEEDV-VMFRQMAUSA-N -1 1 568.651 6.071 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102898090 555138263 /nfs/dbraw/zinc/13/82/63/555138263.db2.gz RYSHPFHGJJEEDV-WYNCGZBVSA-N -1 1 568.651 6.071 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102898090 555138264 /nfs/dbraw/zinc/13/82/64/555138264.db2.gz RYSHPFHGJJEEDV-WYNCGZBVSA-N -1 1 568.651 6.071 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1OC ZINC000102925070 555149450 /nfs/dbraw/zinc/14/94/50/555149450.db2.gz PLXCAGJPOADPOF-HOGKFDNTSA-N -1 1 541.398 5.378 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102927997 555152835 /nfs/dbraw/zinc/15/28/35/555152835.db2.gz FBQRBFIIAVDATA-LFVOPCPISA-N -1 1 527.421 5.755 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102929682 555155477 /nfs/dbraw/zinc/15/54/77/555155477.db2.gz DZHBHQLEOBIKCH-UVDRRRQGSA-N -1 1 529.574 5.846 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102929559 555155528 /nfs/dbraw/zinc/15/55/28/555155528.db2.gz RFGCWRKWZAGKMH-JBCNATCCSA-N -1 1 504.608 5.552 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102931133 555158328 /nfs/dbraw/zinc/15/83/28/555158328.db2.gz MJVDZLKUQQTOSR-MOBKVPTQSA-N -1 1 506.967 5.593 50 30 KKEAMM COc1ccc([N-]S(=O)(=O)c2ccc(N=NC(Cc3ccccc3)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000102985400 555190517 /nfs/dbraw/zinc/19/05/17/555190517.db2.gz OIARTIKHFIMGHG-UHFFFAOYSA-N -1 1 530.606 5.658 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000103854535 571365878 /nfs/dbraw/zinc/36/58/78/571365878.db2.gz BZGQLUAWTHTLPD-AYWGPLOBSA-N -1 1 536.378 5.261 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000103854535 571365879 /nfs/dbraw/zinc/36/58/79/571365879.db2.gz BZGQLUAWTHTLPD-AYWGPLOBSA-N -1 1 536.378 5.261 50 30 KKEAMM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(Oc2ccc(/N=C/c3cc(Br)cc(Br)c3O)cc2)cc1 ZINC000150398520 571477207 /nfs/dbraw/zinc/47/72/07/571477207.db2.gz DUKADOPRWIQVPZ-GCFMLEDASA-N -1 1 724.041 9.441 50 30 biogenic KKEAMM C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000150409883 571482262 /nfs/dbraw/zinc/48/22/62/571482262.db2.gz LEUGNMNNQDGLGD-UHFFFAOYSA-N -1 1 697.235 5.620 50 30 KKEAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000150413173 571484684 /nfs/dbraw/zinc/48/46/84/571484684.db2.gz LTADMUNPSAKPHW-JOCHJYFZSA-N -1 1 634.499 8.213 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150417259 571486134 /nfs/dbraw/zinc/48/61/34/571486134.db2.gz QXIKCNIHSRXFPB-TXTDGAROSA-N -1 1 645.759 6.334 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000150422263 571488207 /nfs/dbraw/zinc/48/82/07/571488207.db2.gz LLZXFOFHTIFZMK-ZRUWLVFBSA-N -1 1 642.774 7.468 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000150422214 571488251 /nfs/dbraw/zinc/48/82/51/571488251.db2.gz VVFUEDKKESHPCC-RIEKNRFYSA-N -1 1 689.831 7.743 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000150422333 571488376 /nfs/dbraw/zinc/48/83/76/571488376.db2.gz BVDHMYYHSNTMIR-AHPONGEQSA-N -1 1 644.746 6.916 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000150422333 571488379 /nfs/dbraw/zinc/48/83/79/571488379.db2.gz BVDHMYYHSNTMIR-AHPONGEQSA-N -1 1 644.746 6.916 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000150424939 571489583 /nfs/dbraw/zinc/48/95/83/571489583.db2.gz DLLDVSBPYIPKPC-UWUYKNAISA-N -1 1 721.901 8.757 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000150432519 571494370 /nfs/dbraw/zinc/49/43/70/571494370.db2.gz OHEMJFYLQYJWQJ-QHCPKHFHSA-N -1 1 628.040 5.035 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000150435479 571495453 /nfs/dbraw/zinc/49/54/53/571495453.db2.gz WCLVVDIDEIZFQI-UTNKIGIFSA-N -1 1 705.858 8.066 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150441793 571498651 /nfs/dbraw/zinc/49/86/51/571498651.db2.gz HIQIBUARVMFXSE-RIEKNRFYSA-N -1 1 682.223 8.013 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150445084 571500124 /nfs/dbraw/zinc/50/01/24/571500124.db2.gz YYWQOSSROGXSSI-ZSTRNPGISA-N -1 1 639.129 7.487 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445575 571500591 /nfs/dbraw/zinc/50/05/91/571500591.db2.gz LAAMMYNYDCEMFW-DNNDWWBDSA-N -1 1 662.233 8.003 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445788 571500594 /nfs/dbraw/zinc/50/05/94/571500594.db2.gz JETAQCNSEVDWLS-QJGFIUGVSA-N -1 1 662.233 7.858 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150446813 571501142 /nfs/dbraw/zinc/50/11/42/571501142.db2.gz KHBYPCXXTNRGHC-VMFRQMAUSA-N -1 1 648.206 7.612 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150451022 571502751 /nfs/dbraw/zinc/50/27/51/571502751.db2.gz ZCRUSCGXIHJYEY-ZORLYMSLSA-N -1 1 646.721 7.544 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150453773 571503799 /nfs/dbraw/zinc/50/37/99/571503799.db2.gz PFKKDRXKPJAABF-ANCNPBKRSA-N -1 1 637.508 6.121 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453793 571503827 /nfs/dbraw/zinc/50/38/27/571503827.db2.gz OFSFZJIZXPIFLN-XSYNSRRPSA-N -1 1 648.737 7.232 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453793 571503828 /nfs/dbraw/zinc/50/38/28/571503828.db2.gz OFSFZJIZXPIFLN-XSYNSRRPSA-N -1 1 648.737 7.232 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150455057 571504332 /nfs/dbraw/zinc/50/43/32/571504332.db2.gz YFJTYLYNZIFHPX-ZORLYMSLSA-N -1 1 636.682 6.290 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150457449 571504889 /nfs/dbraw/zinc/50/48/89/571504889.db2.gz VNVYFURFWXKENR-ANBMCXBTSA-N -1 1 677.848 8.358 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457540 571505019 /nfs/dbraw/zinc/50/50/19/571505019.db2.gz ZXSIOKUULPFQPW-UZGIXAGNSA-N -1 1 675.804 7.497 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150458722 571505503 /nfs/dbraw/zinc/50/55/03/571505503.db2.gz CSMVLPGZCSFUOR-RWMNMRIUSA-N -1 1 655.798 7.052 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150459267 571505697 /nfs/dbraw/zinc/50/56/97/571505697.db2.gz YBMJJZDVKGQPTH-ZHHPLPSFSA-N -1 1 625.453 5.179 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150460569 571506229 /nfs/dbraw/zinc/50/62/29/571506229.db2.gz OGZWQOFRWNQHLP-RIEKNRFYSA-N -1 1 689.831 7.887 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150461038 571506384 /nfs/dbraw/zinc/50/63/84/571506384.db2.gz DYYSCCKMEOSIMP-NBXYUPGTSA-N -1 1 649.794 7.722 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150462808 571506759 /nfs/dbraw/zinc/50/67/59/571506759.db2.gz MVXUFUWGMRNRTA-GYBOJBDRSA-N -1 1 671.841 7.748 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000150463204 571506901 /nfs/dbraw/zinc/50/69/01/571506901.db2.gz RFPIPEUKSBZXFL-FCLPXNLHSA-N -1 1 641.815 7.658 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150463102 571507031 /nfs/dbraw/zinc/50/70/31/571507031.db2.gz VNPUIRGWYUCACF-MIOXIQPJSA-N -1 1 670.740 6.334 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463645 571507187 /nfs/dbraw/zinc/50/71/87/571507187.db2.gz JURGPKJLMVEWAT-FZIYRNTBSA-N -1 1 634.179 7.222 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150463518 571507192 /nfs/dbraw/zinc/50/71/92/571507192.db2.gz KLHFHAIGLXADFB-QJGFIUGVSA-N -1 1 645.778 7.344 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150463407 571507230 /nfs/dbraw/zinc/50/72/30/571507230.db2.gz NAZIKHTWASDAMV-VIDUVWHZSA-N -1 1 685.868 8.056 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463360 571507295 /nfs/dbraw/zinc/50/72/95/571507295.db2.gz ZZKHMJFNQCFEHC-NBXYUPGTSA-N -1 1 647.778 7.498 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150468002 571508279 /nfs/dbraw/zinc/50/82/79/571508279.db2.gz XAOSUQCKQWYDON-SZYGQJGOSA-N -1 1 679.820 7.950 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150469627 571508737 /nfs/dbraw/zinc/50/87/37/571508737.db2.gz YZGVDIIXQZDQFR-LHKMDIPOSA-N -1 1 676.216 7.397 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150474505 571510541 /nfs/dbraw/zinc/51/05/41/571510541.db2.gz RIFRTGGQCDRODE-QMMFTLRZSA-N -1 1 691.803 7.335 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150475680 571510700 /nfs/dbraw/zinc/51/07/00/571510700.db2.gz WCWFRLJDUFKFJF-TXTDGAROSA-N -1 1 663.749 6.555 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150480491 571512095 /nfs/dbraw/zinc/51/20/95/571512095.db2.gz MEKQRJRHOSKDAK-UUALVTFQSA-N -1 1 684.623 7.714 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150481370 571512609 /nfs/dbraw/zinc/51/26/09/571512609.db2.gz IKCPSXMSZSRKNV-OFNYXUPYSA-N -1 1 668.624 7.876 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000150482760 571513464 /nfs/dbraw/zinc/51/34/64/571513464.db2.gz KUBGYVYEIYHQKD-NDEPHWFRSA-N -1 1 644.149 8.507 50 30 KKEAMM Cc1nc(-c2ccccc2)sc1C(=O)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000150485477 571515920 /nfs/dbraw/zinc/51/59/20/571515920.db2.gz OGWJJCRSRVDVRV-UMSFTDKQSA-N -1 1 738.916 9.777 50 30 KKEAMM C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(occ(-c4ccc(OC)c(OC)c4)c3=O)c21 ZINC000263584786 572115290 /nfs/dbraw/zinc/11/52/90/572115290.db2.gz ARKJFANJPSRHKI-IBGZPJMESA-N -1 1 514.530 5.579 50 30 KKEAMM C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(OC)c(OC)c4)coc-3c21 ZINC000263584786 572115292 /nfs/dbraw/zinc/11/52/92/572115292.db2.gz ARKJFANJPSRHKI-IBGZPJMESA-N -1 1 514.530 5.579 50 30 KKEAMM COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000252589181 572266564 /nfs/dbraw/zinc/26/65/64/572266564.db2.gz AHZJRNIDVPQIAP-CCDSKFFISA-N -1 1 588.321 7.351 50 30 KKEAMM [O-]c1c(I)cc(I)cc1C=Nc1ccc(Cc2ccc(N=Cc3cc(I)cc(I)c3O)cc2)cc1 ZINC000252591669 572266650 /nfs/dbraw/zinc/26/66/50/572266650.db2.gz BBUFBQQGIQABGP-UHFFFAOYSA-N -1 1 910.069 8.608 50 30 KKEAMM COc1cc(/C=C2/SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1[O-] ZINC000252602928 572267553 /nfs/dbraw/zinc/26/75/53/572267553.db2.gz FMKMFQSKZHKJJS-PNVFXWMWSA-N -1 1 616.375 7.968 50 30 KKEAMM CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@](=O)([O-])OC[C@@H](O)CO ZINC000102191090 1069701309 /nfs/dbraw/zinc/70/13/09/1069701309.db2.gz CATKZNHUBTWOSQ-URLMMPGGSA-N -1 1 624.793 7.160 50 30 KKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)cc2)cc1 ZINC000102970288 1071054972 /nfs/dbraw/zinc/05/49/72/1071054972.db2.gz UGOFOCXHUOAZLS-HKWRFOASSA-N -1 1 559.647 7.291 50 30 KKEAMM CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3ccc(-c4coc5cc([O-])ccc5c4=O)cc3)C1=O)O2 ZINC000828922571 1071340375 /nfs/dbraw/zinc/34/03/75/1071340375.db2.gz HSYUHFBWDAAZKB-PNDZNIPJSA-N -1 1 579.561 5.160 50 30 KKEAMM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(N=NCc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000254589076 1072865391 /nfs/dbraw/zinc/86/53/91/1072865391.db2.gz BUKIAZFRYGFMKK-UHFFFAOYSA-N -1 1 546.561 5.119 50 30 KKEAMM COc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3ccc(OC(=O)c4cccs4)c(OC)c3)c([N+](=O)[O-])c2)cc1 ZINC000254631835 1072868725 /nfs/dbraw/zinc/86/87/25/1072868725.db2.gz LWLGVTDGATVHMI-UHFFFAOYSA-N -1 1 582.616 5.140 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000000631116 551505118 /nfs/dbraw/zinc/50/51/18/551505118.db2.gz JNJDDYHUCHZFGS-NRFANRHFSA-N -1 1 524.570 5.257 50 30 KKEAMM COc1cccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000000702471 551529612 /nfs/dbraw/zinc/52/96/12/551529612.db2.gz NQHBUWDPEZZDEQ-NRFANRHFSA-N -1 1 521.614 5.419 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000958609 551589855 /nfs/dbraw/zinc/58/98/55/551589855.db2.gz FLCQKZJZVKSDED-NRFANRHFSA-N -1 1 508.043 5.925 50 30 KKEAMM COc1ccc(OC)c([C@@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000959780 551590020 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CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451427 551675978 /nfs/dbraw/zinc/67/59/78/551675978.db2.gz FLPKYQQEWGMLNH-XMMPIXPASA-N -1 1 530.602 5.667 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001451412 551676042 /nfs/dbraw/zinc/67/60/42/551676042.db2.gz MRYWHYXUMWLBHH-SANMLTNESA-N -1 1 544.629 6.058 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001451687 551676436 /nfs/dbraw/zinc/67/64/36/551676436.db2.gz XADQUDKOVRVWSH-XMMPIXPASA-N -1 1 564.591 5.643 50 30 KKEAMM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccccc3Cl)C2)cc1 ZINC000001456617 551676651 /nfs/dbraw/zinc/67/66/51/551676651.db2.gz CSVQAFGOAYSLOG-QTEAWJPNSA-N -1 1 531.008 6.114 50 30 KKEAMM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccccc3Cl)C2)cc1 ZINC000001456616 551676697 /nfs/dbraw/zinc/67/66/97/551676697.db2.gz CSVQAFGOAYSLOG-WWOZWPLTSA-N -1 1 531.008 6.114 50 30 KKEAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccs2)cc1 ZINC000001457557 551677045 /nfs/dbraw/zinc/67/70/45/551677045.db2.gz MLQHAYFWNWAGKS-SLQAJWMNSA-N -1 1 516.619 5.831 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001457449 551677070 /nfs/dbraw/zinc/67/70/70/551677070.db2.gz NAJLOJRYHLGAOI-SLGOVJDISA-N -1 1 538.600 5.547 50 30 KKEAMM COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457452 551677099 /nfs/dbraw/zinc/67/70/99/551677099.db2.gz ZXKSBUMYDADIME-OHWKKVTOSA-N -1 1 582.697 6.767 50 30 KKEAMM COc1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457454 551677110 /nfs/dbraw/zinc/67/71/10/551677110.db2.gz ZXKSBUMYDADIME-HUBRWUETSA-N -1 1 582.697 6.767 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001480645 551681492 /nfs/dbraw/zinc/68/14/92/551681492.db2.gz SIJJJBUKUMOQFL-VWLOTQADSA-N -1 1 560.628 5.730 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000001480015 551681578 /nfs/dbraw/zinc/68/15/78/551681578.db2.gz AIYJTABEGJEOSG-OAQYLSRUSA-N -1 1 524.570 5.257 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001480143 551681606 /nfs/dbraw/zinc/68/16/06/551681606.db2.gz ACKKMNPYNWPJAL-XMMPIXPASA-N -1 1 532.574 5.114 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001480143 551681608 /nfs/dbraw/zinc/68/16/08/551681608.db2.gz ACKKMNPYNWPJAL-XMMPIXPASA-N -1 1 532.574 5.114 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480820 551681908 /nfs/dbraw/zinc/68/19/08/551681908.db2.gz ASWQAJODNHYRLG-QHCPKHFHSA-N -1 1 550.589 5.405 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000001480888 551682200 /nfs/dbraw/zinc/68/22/00/551682200.db2.gz AGQTUPPSZHSHEG-FQEVSTJZSA-N -1 1 541.448 6.302 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480869 551682316 /nfs/dbraw/zinc/68/23/16/551682316.db2.gz UJXHWGZSQQIENN-XMMPIXPASA-N -1 1 534.565 5.634 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001482269 551682604 /nfs/dbraw/zinc/68/26/04/551682604.db2.gz MKOOTMCTRVMNFY-VWLOTQADSA-N -1 1 530.602 5.804 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001482336 551682963 /nfs/dbraw/zinc/68/29/63/551682963.db2.gz KWUBBVTZCHKSIQ-HSZRJFAPSA-N -1 1 534.565 5.553 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001482336 551682966 /nfs/dbraw/zinc/68/29/66/551682966.db2.gz KWUBBVTZCHKSIQ-HSZRJFAPSA-N -1 1 534.565 5.553 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001482335 551682991 /nfs/dbraw/zinc/68/29/91/551682991.db2.gz KWUBBVTZCHKSIQ-QHCPKHFHSA-N -1 1 534.565 5.553 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001482335 551682994 /nfs/dbraw/zinc/68/29/94/551682994.db2.gz KWUBBVTZCHKSIQ-QHCPKHFHSA-N -1 1 534.565 5.553 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000001760618 551694339 /nfs/dbraw/zinc/69/43/39/551694339.db2.gz ZVUHCOKFHBCPEZ-FQEVSTJZSA-N -1 1 526.343 5.426 50 30 KKEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000002719440 552163720 /nfs/dbraw/zinc/16/37/20/552163720.db2.gz OLYBRPCFZJEFCC-JOCHJYFZSA-N -1 1 578.647 5.609 50 30 KKEAMM O=S(=O)(N=C([O-])Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000003624363 552395098 /nfs/dbraw/zinc/39/50/98/552395098.db2.gz YEJYXOZQOMNQEX-UHFFFAOYSA-N -1 1 512.318 5.730 50 30 KKEAMM O=C([N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000003624363 552395102 /nfs/dbraw/zinc/39/51/02/552395102.db2.gz YEJYXOZQOMNQEX-UHFFFAOYSA-N -1 1 512.318 5.730 50 30 KKEAMM CCCC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)Nc2cccc(C#N)c2)c([O-])c1 ZINC000004016062 552426958 /nfs/dbraw/zinc/42/69/58/552426958.db2.gz WFZMHTNXSRJPOE-YTTGMZPUSA-N -1 1 598.788 8.859 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1 ZINC000004641154 552470008 /nfs/dbraw/zinc/47/00/08/552470008.db2.gz KQALCLSTZOMBTH-HSZRJFAPSA-N -1 1 503.023 7.030 50 30 KKEAMM Cc1ccc([C@@H]2c3c(=O)[n-]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004793597 552485203 /nfs/dbraw/zinc/48/52/03/552485203.db2.gz SIDDUDNDRAEIJT-NRFANRHFSA-N -1 1 502.596 5.892 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(Cl)cc3)[n-]c(=O)c1[C@@H]2c1ccc(Br)cc1 ZINC000004793566 552485238 /nfs/dbraw/zinc/48/52/38/552485238.db2.gz 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C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)cc3C)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000005919107 552512428 /nfs/dbraw/zinc/51/24/28/552512428.db2.gz SEYWPCVNTXMGIB-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)cc3C)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000005919107 552512433 /nfs/dbraw/zinc/51/24/33/552512433.db2.gz SEYWPCVNTXMGIB-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM O=C1C(=S)N(c2nccs2)[C@@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000006143483 552545214 /nfs/dbraw/zinc/54/52/14/552545214.db2.gz HTFUFGUBOIOHNZ-INIZCTEOSA-N -1 1 526.264 6.796 50 30 KKEAMM O=C(C1=C([O-])C(=S)N(c2nccs2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000006143483 552545215 /nfs/dbraw/zinc/54/52/15/552545215.db2.gz HTFUFGUBOIOHNZ-INIZCTEOSA-N -1 1 526.264 6.796 50 30 KKEAMM CCOC(=O)c1ccc(N=C([N-]S(=O)(=O)c2cc(Br)ccc2OCC)c2ccccc2)cc1 ZINC000006250988 552575540 /nfs/dbraw/zinc/57/55/40/552575540.db2.gz SWECPPREPUBNLI-UHFFFAOYSA-N -1 1 531.428 5.081 50 30 KKEAMM 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CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000008816709 553152023 /nfs/dbraw/zinc/15/20/23/553152023.db2.gz PVJZOHDHXORRNY-SFHVURJKSA-N -1 1 500.935 5.204 50 30 KKEAMM CCCCCCOc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(=O)OC)cc2)c1 ZINC000008846523 553166238 /nfs/dbraw/zinc/16/62/38/553166238.db2.gz ZTPYXHMSKICKHL-MHZLTWQESA-N -1 1 513.590 6.215 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000008894058 553177508 /nfs/dbraw/zinc/17/75/08/553177508.db2.gz UBEWZONMWZKHEN-HSZRJFAPSA-N -1 1 515.547 5.613 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000008894164 553177576 /nfs/dbraw/zinc/17/75/76/553177576.db2.gz XFMSGMNWDGLOQM-VWLOTQADSA-N -1 1 517.050 7.418 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000008902583 553182820 /nfs/dbraw/zinc/18/28/20/553182820.db2.gz MNBUAVHSQDJVGP-QFIPXVFZSA-N -1 1 520.994 6.058 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000008902583 553182822 /nfs/dbraw/zinc/18/28/22/553182822.db2.gz MNBUAVHSQDJVGP-QFIPXVFZSA-N -1 1 520.994 6.058 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008973241 553195210 /nfs/dbraw/zinc/19/52/10/553195210.db2.gz IQYYAVCCXWOSFN-QFIPXVFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008973241 553195213 /nfs/dbraw/zinc/19/52/13/553195213.db2.gz IQYYAVCCXWOSFN-QFIPXVFZSA-N -1 1 501.520 5.304 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008974032 553195735 /nfs/dbraw/zinc/19/57/35/553195735.db2.gz IVFVURYYCMLERU-XMMPIXPASA-N -1 1 519.022 6.748 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008980496 553195972 /nfs/dbraw/zinc/19/59/72/553195972.db2.gz 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/nfs/dbraw/zinc/19/91/07/553199107.db2.gz XKNIAFOCWAIRQH-DEOSSOPVSA-N -1 1 502.592 6.503 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009041934 553202417 /nfs/dbraw/zinc/20/24/17/553202417.db2.gz AQEGTNHDCMRSMR-XMMPIXPASA-N -1 1 500.576 5.877 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009042302 553202633 /nfs/dbraw/zinc/20/26/33/553202633.db2.gz TZDHCVAYGOJTMK-HXUWFJFHSA-N -1 1 509.356 5.981 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009043567 553202896 /nfs/dbraw/zinc/20/28/96/553202896.db2.gz GRLWEANXIXANGQ-XMMPIXPASA-N -1 1 500.576 5.795 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009043112 553202930 /nfs/dbraw/zinc/20/29/30/553202930.db2.gz ODGQKVIPKJACDS-QFIPXVFZSA-N -1 1 506.967 5.750 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000009065015 553205799 /nfs/dbraw/zinc/20/57/99/553205799.db2.gz PXVNFMVAGFCRMK-OAQYLSRUSA-N -1 1 506.536 5.006 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)o1 ZINC000009069284 553206817 /nfs/dbraw/zinc/20/68/17/553206817.db2.gz SGHNRUDXDLERKT-LJQANCHMSA-N -1 1 513.344 5.882 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009072906 553207079 /nfs/dbraw/zinc/20/70/79/553207079.db2.gz XFOZMXCEGDDLCH-NRFANRHFSA-N -1 1 506.580 5.118 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009072906 553207081 /nfs/dbraw/zinc/20/70/81/553207081.db2.gz XFOZMXCEGDDLCH-NRFANRHFSA-N -1 1 506.580 5.118 50 30 KKEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009110857 553210065 /nfs/dbraw/zinc/21/00/65/553210065.db2.gz HDOFHGKQMCCXGV-NRFANRHFSA-N -1 1 509.312 5.149 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009123726 553212572 /nfs/dbraw/zinc/21/25/72/553212572.db2.gz GNSNIWHKHPFHOB-QHCPKHFHSA-N -1 1 514.559 5.183 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(O)c2)s1 ZINC000009123825 553212581 /nfs/dbraw/zinc/21/25/81/553212581.db2.gz JEKRKRORVXBNSB-DEOSSOPVSA-N -1 1 513.575 5.222 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009123717 553212594 /nfs/dbraw/zinc/21/25/94/553212594.db2.gz OXQMLXXWPYDWRM-XMMPIXPASA-N -1 1 517.050 7.339 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000009124463 553212916 /nfs/dbraw/zinc/21/29/16/553212916.db2.gz CQGJLYZALSCQQT-LMKMVOKYSA-N -1 1 512.587 5.725 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009176687 553216288 /nfs/dbraw/zinc/21/62/88/553216288.db2.gz DBRLPKHVHGDHKT-QHCPKHFHSA-N -1 1 504.995 6.440 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009176687 553216290 /nfs/dbraw/zinc/21/62/90/553216290.db2.gz DBRLPKHVHGDHKT-QHCPKHFHSA-N -1 1 504.995 6.440 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000009177363 553216359 /nfs/dbraw/zinc/21/63/59/553216359.db2.gz MSOXDUTYDXVVOT-SFHVURJKSA-N -1 1 500.935 5.204 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000009185741 553217381 /nfs/dbraw/zinc/21/73/81/553217381.db2.gz NLCVIKLSWYQEMI-DEOSSOPVSA-N -1 1 519.022 6.694 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000009185741 553217383 /nfs/dbraw/zinc/21/73/83/553217383.db2.gz NLCVIKLSWYQEMI-DEOSSOPVSA-N -1 1 519.022 6.694 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000009186692 553217600 /nfs/dbraw/zinc/21/76/00/553217600.db2.gz LPBRTDXWVWMSDL-OAQYLSRUSA-N -1 1 508.502 5.375 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009235614 553225333 /nfs/dbraw/zinc/22/53/33/553225333.db2.gz NXTFVVMIBYMOJC-QFIPXVFZSA-N -1 1 501.520 5.386 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009237514 553225816 /nfs/dbraw/zinc/22/58/16/553225816.db2.gz SVBVLOGRBYENKX-XMMPIXPASA-N -1 1 500.551 6.092 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009237514 553225818 /nfs/dbraw/zinc/22/58/18/553225818.db2.gz SVBVLOGRBYENKX-XMMPIXPASA-N -1 1 500.551 6.092 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000009236869 553225857 /nfs/dbraw/zinc/22/58/57/553225857.db2.gz NTKGWCQYRFSESJ-JOCHJYFZSA-N -1 1 506.967 5.750 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000009240241 553226113 /nfs/dbraw/zinc/22/61/13/553226113.db2.gz JOONHZJWNDBXBR-HSZRJFAPSA-N -1 1 504.539 5.626 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccccc2F)cc1 ZINC000009242426 553226258 /nfs/dbraw/zinc/22/62/58/553226258.db2.gz PKCOIICXXGNWAD-DEOSSOPVSA-N -1 1 502.567 6.179 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccccc2F)cc1 ZINC000009242426 553226260 /nfs/dbraw/zinc/22/62/60/553226260.db2.gz PKCOIICXXGNWAD-DEOSSOPVSA-N -1 1 502.567 6.179 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3)sc2c1 ZINC000009242398 553226319 /nfs/dbraw/zinc/22/63/19/553226319.db2.gz DPMNCOOJGPQREK-XMMPIXPASA-N -1 1 514.559 5.249 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3)sc2c1 ZINC000009242398 553226321 /nfs/dbraw/zinc/22/63/21/553226321.db2.gz DPMNCOOJGPQREK-XMMPIXPASA-N -1 1 514.559 5.249 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000009243838 553227067 /nfs/dbraw/zinc/22/70/67/553227067.db2.gz LBRFWYAWVAFTCV-SANMLTNESA-N -1 1 514.509 5.493 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009271048 553230390 /nfs/dbraw/zinc/23/03/90/553230390.db2.gz UGFLKIPJLLOYOF-DEOSSOPVSA-N -1 1 500.595 6.824 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009271605 553231002 /nfs/dbraw/zinc/23/10/02/553231002.db2.gz WXKSVKWPYOLADP-XMMPIXPASA-N -1 1 500.576 5.795 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000009271431 553231047 /nfs/dbraw/zinc/23/10/47/553231047.db2.gz OAFLIYGXGYAEJQ-DEOSSOPVSA-N -1 1 516.575 5.495 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000009272019 553231545 /nfs/dbraw/zinc/23/15/45/553231545.db2.gz YGPPWDWWGHTLNP-NRFANRHFSA-N -1 1 511.372 5.526 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000009272019 553231548 /nfs/dbraw/zinc/23/15/48/553231548.db2.gz YGPPWDWWGHTLNP-NRFANRHFSA-N -1 1 511.372 5.526 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000009274772 553232641 /nfs/dbraw/zinc/23/26/41/553232641.db2.gz HYCCZEJCHMLZRF-HSZRJFAPSA-N -1 1 520.994 6.140 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009280185 553233070 /nfs/dbraw/zinc/23/30/70/553233070.db2.gz MXFVZHLNHMYNNS-NRFANRHFSA-N -1 1 505.483 5.135 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009301999 553236152 /nfs/dbraw/zinc/23/61/52/553236152.db2.gz APMGVAISEQQVLA-XMMPIXPASA-N -1 1 516.575 5.495 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009320607 553241558 /nfs/dbraw/zinc/24/15/58/553241558.db2.gz QUWMGZQZBWJWNL-LFPIHBKWSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009320607 553241561 /nfs/dbraw/zinc/24/15/61/553241561.db2.gz QUWMGZQZBWJWNL-LFPIHBKWSA-N -1 1 516.550 5.550 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009328538 553242042 /nfs/dbraw/zinc/24/20/42/553242042.db2.gz XIULONGUYYJSNQ-SGANQWHYSA-N -1 1 514.578 6.104 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009328940 553242052 /nfs/dbraw/zinc/24/20/52/553242052.db2.gz JZNUDIFDXWEWKV-DEOSSOPVSA-N -1 1 502.567 6.179 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009328940 553242053 /nfs/dbraw/zinc/24/20/53/553242053.db2.gz JZNUDIFDXWEWKV-DEOSSOPVSA-N -1 1 502.567 6.179 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009333864 553242889 /nfs/dbraw/zinc/24/28/89/553242889.db2.gz ZWEJXLHRCSCSDE-QHCPKHFHSA-N -1 1 506.530 6.146 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009358010 553247218 /nfs/dbraw/zinc/24/72/18/553247218.db2.gz ZLMADZVKLURLTD-MYYSRTQBSA-N -1 1 500.551 5.850 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009357815 553247236 /nfs/dbraw/zinc/24/72/36/553247236.db2.gz PIQUVSOCKJPPCR-HSZRJFAPSA-N -1 1 513.468 5.514 50 30 KKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccc(O)cc1 ZINC000009358076 553247253 /nfs/dbraw/zinc/24/72/53/553247253.db2.gz YHIDIAMJVYLXOV-LJQANCHMSA-N -1 1 507.618 5.380 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009358897 553247767 /nfs/dbraw/zinc/24/77/67/553247767.db2.gz HXNHKWPZMVCTRT-IZHWHUGBSA-N -1 1 500.551 5.850 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000009359575 553248263 /nfs/dbraw/zinc/24/82/63/553248263.db2.gz IBMJPWDUXCRDFQ-FQEVSTJZSA-N -1 1 502.832 6.050 50 30 KKEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccc(O)cc1 ZINC000009360628 553248683 /nfs/dbraw/zinc/24/86/83/553248683.db2.gz KBNISJHISPYFMC-LJQANCHMSA-N -1 1 509.540 5.051 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccs3)ccc2O1 ZINC000009403673 553255430 /nfs/dbraw/zinc/25/54/30/553255430.db2.gz LIGUEBHFSASPQI-QKVFXAPYSA-N -1 1 509.008 6.118 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000009412446 553257638 /nfs/dbraw/zinc/25/76/38/553257638.db2.gz GBNOKNXWHVKBOG-MYYSRTQBSA-N -1 1 517.006 6.364 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009424972 553259006 /nfs/dbraw/zinc/25/90/06/553259006.db2.gz GXMFFIMINLHFOU-JOCHJYFZSA-N -1 1 504.951 5.504 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009461219 553267317 /nfs/dbraw/zinc/26/73/17/553267317.db2.gz FIBHYGYQBXVJSQ-XMMPIXPASA-N -1 1 519.022 6.694 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009461219 553267320 /nfs/dbraw/zinc/26/73/20/553267320.db2.gz FIBHYGYQBXVJSQ-XMMPIXPASA-N -1 1 519.022 6.694 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2OC)cc1C ZINC000009477415 553272509 /nfs/dbraw/zinc/27/25/09/553272509.db2.gz SMNCKCJOJDFMFB-XMMPIXPASA-N -1 1 500.576 5.713 50 30 KKEAMM COc1cccc([C@@H]2c3c(=O)[n-]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000009608778 553287714 /nfs/dbraw/zinc/28/77/14/553287714.db2.gz OURFVIPGLFXGRB-QFIPXVFZSA-N -1 1 517.651 5.588 50 30 KKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc(C)cc4C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009608852 553287756 /nfs/dbraw/zinc/28/77/56/553287756.db2.gz OWWPQBFKBXNUOQ-XMMPIXPASA-N -1 1 531.678 5.897 50 30 KKEAMM COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nc(C)c(C(C)=O)s4)[C@H]3c3ccc(F)cc3)oc21 ZINC000012533333 553387396 /nfs/dbraw/zinc/38/73/96/553387396.db2.gz SMIIICNCQCBFIY-FQEVSTJZSA-N -1 1 506.511 5.331 50 30 KKEAMM COc1ccc([N-]S(=O)(=O)c2ccc(N=NC3c4ccccc4-c4ccccc43)c([N+](=O)[O-])c2)cc1 ZINC000012572906 553398421 /nfs/dbraw/zinc/39/84/21/553398421.db2.gz NBONWGIZXUBWED-UHFFFAOYSA-N -1 1 500.536 5.249 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000013570958 553473886 /nfs/dbraw/zinc/47/38/86/553473886.db2.gz MSTMRYHENJCBKP-QHCPKHFHSA-N -1 1 515.547 5.558 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000013570958 553473887 /nfs/dbraw/zinc/47/38/87/553473887.db2.gz MSTMRYHENJCBKP-QHCPKHFHSA-N -1 1 515.547 5.558 50 30 KKEAMM COc1cccc2cc(C([O-])=C3C(=O)C(=O)N(c4nc(C)c(C(C)=O)s4)[C@H]3c3ccc(C)cc3)oc21 ZINC000016742176 553580168 /nfs/dbraw/zinc/58/01/68/553580168.db2.gz GEIGJCKABBLXKG-NRFANRHFSA-N -1 1 502.548 5.500 50 30 KKEAMM COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nc(C)c(C(C)=O)s4)[C@H]3c3ccc(C)cc3)oc21 ZINC000016742176 553580170 /nfs/dbraw/zinc/58/01/70/553580170.db2.gz GEIGJCKABBLXKG-NRFANRHFSA-N -1 1 502.548 5.500 50 30 KKEAMM CC(C)c1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000017113627 553588187 /nfs/dbraw/zinc/58/81/87/553588187.db2.gz RQEJXHCOOKBMRW-QFIPXVFZSA-N -1 1 502.596 6.071 50 30 KKEAMM COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000017862670 553600369 /nfs/dbraw/zinc/60/03/69/553600369.db2.gz NAJLOJRYHLGAOI-IPBJYNAHSA-N -1 1 538.600 5.547 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000018045470 553602187 /nfs/dbraw/zinc/60/21/87/553602187.db2.gz UKWMYKCAUUUUCA-QHCPKHFHSA-N -1 1 596.042 5.629 50 30 KKEAMM CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000070673735 553603966 /nfs/dbraw/zinc/60/39/66/553603966.db2.gz XCWQBYPGBWDIQW-LUQMGZBRSA-N -1 1 598.696 6.647 50 30 KKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000020181740 553604289 /nfs/dbraw/zinc/60/42/89/553604289.db2.gz KSUPKFPOBBOXNL-HSZRJFAPSA-N -1 1 517.651 5.588 50 30 KKEAMM C=C(C)COc1ccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1OC ZINC000096115503 553726025 /nfs/dbraw/zinc/72/60/25/553726025.db2.gz LHTCPEJCLLVXFB-GOSISDBHSA-N -1 1 500.503 5.276 50 30 biogenic KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000097951443 553809040 /nfs/dbraw/zinc/80/90/40/553809040.db2.gz CYHJYAVYJJWLPE-JOCHJYFZSA-N -1 1 528.439 5.414 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000097951443 553809042 /nfs/dbraw/zinc/80/90/42/553809042.db2.gz CYHJYAVYJJWLPE-JOCHJYFZSA-N -1 1 528.439 5.414 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000097951601 553810230 /nfs/dbraw/zinc/81/02/30/553810230.db2.gz SLNZZIDQNVAUEE-LJQANCHMSA-N -1 1 514.173 5.390 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097951768 553811161 /nfs/dbraw/zinc/81/11/61/553811161.db2.gz FNTXSCXTKVOGOV-QHCPKHFHSA-N -1 1 533.005 6.136 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097951768 553811164 /nfs/dbraw/zinc/81/11/64/553811164.db2.gz FNTXSCXTKVOGOV-QHCPKHFHSA-N -1 1 533.005 6.136 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000097952171 553813405 /nfs/dbraw/zinc/81/34/05/553813405.db2.gz YIRMKWVPBHOQNA-XMMPIXPASA-N -1 1 546.601 5.422 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000097952207 553813795 /nfs/dbraw/zinc/81/37/95/553813795.db2.gz SZWFLTWEDIAWDR-HSZRJFAPSA-N -1 1 549.446 6.467 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952250 553814073 /nfs/dbraw/zinc/81/40/73/553814073.db2.gz XXUJPEIJDDMEMV-HHHXNRCGSA-N -1 1 542.657 6.829 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000097952269 553814418 /nfs/dbraw/zinc/81/44/18/553814418.db2.gz MDSGGGUCBMILEJ-XMMPIXPASA-N -1 1 535.021 6.312 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000097952269 553814422 /nfs/dbraw/zinc/81/44/22/553814422.db2.gz MDSGGGUCBMILEJ-XMMPIXPASA-N -1 1 535.021 6.312 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952439 553815725 /nfs/dbraw/zinc/81/57/25/553815725.db2.gz MMDZDWBKJUYCEM-HSZRJFAPSA-N -1 1 533.447 6.713 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)nc1C ZINC000097952573 553816673 /nfs/dbraw/zinc/81/66/73/553816673.db2.gz CBLPFCZBWJSPQG-VWLOTQADSA-N -1 1 539.613 5.719 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC(C)C)cc2)cc1C ZINC000097952540 553816687 /nfs/dbraw/zinc/81/66/87/553816687.db2.gz ZTQPLFQBUGFORM-AREMUKBSSA-N -1 1 528.630 6.492 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097953012 553818463 /nfs/dbraw/zinc/81/84/63/553818463.db2.gz IJDHPCWMOZATDR-RUZDIDTESA-N -1 1 544.585 5.258 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097953012 553818465 /nfs/dbraw/zinc/81/84/65/553818465.db2.gz IJDHPCWMOZATDR-RUZDIDTESA-N -1 1 544.585 5.258 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097953923 553820045 /nfs/dbraw/zinc/82/00/45/553820045.db2.gz FYMFLEJAWRQLQU-SANMLTNESA-N -1 1 540.597 5.724 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097953969 553820429 /nfs/dbraw/zinc/82/04/29/553820429.db2.gz IMIRPVRYKFBPFC-RUZDIDTESA-N -1 1 544.585 5.258 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097953969 553820434 /nfs/dbraw/zinc/82/04/34/553820434.db2.gz IMIRPVRYKFBPFC-RUZDIDTESA-N -1 1 544.585 5.258 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097954027 553820502 /nfs/dbraw/zinc/82/05/02/553820502.db2.gz LJAAGQWKYKXPHW-QHCPKHFHSA-N -1 1 534.977 5.512 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097954052 553821013 /nfs/dbraw/zinc/82/10/13/553821013.db2.gz CGHAIYPQEJDVSX-DEOSSOPVSA-N -1 1 548.617 5.387 50 30 KKEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000027021098 553824017 /nfs/dbraw/zinc/82/40/17/553824017.db2.gz CNLNPITZQNDMFE-HSZRJFAPSA-N -1 1 513.644 6.230 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000027021098 553824020 /nfs/dbraw/zinc/82/40/20/553824020.db2.gz CNLNPITZQNDMFE-HSZRJFAPSA-N -1 1 513.644 6.230 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097955112 553828697 /nfs/dbraw/zinc/82/86/97/553828697.db2.gz IZJZSYDKKSZKQN-AKJBCIBTSA-N -1 1 542.632 6.839 50 30 KKEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097955150 553829201 /nfs/dbraw/zinc/82/92/01/553829201.db2.gz CQFYQYZEIRGOQV-BZQUYTCOSA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097955150 553829205 /nfs/dbraw/zinc/82/92/05/553829205.db2.gz CQFYQYZEIRGOQV-BZQUYTCOSA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000097955182 553829359 /nfs/dbraw/zinc/82/93/59/553829359.db2.gz RKSIPBQZWQNQKA-BZQUYTCOSA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000097955182 553829362 /nfs/dbraw/zinc/82/93/62/553829362.db2.gz RKSIPBQZWQNQKA-BZQUYTCOSA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955178 553829472 /nfs/dbraw/zinc/82/94/72/553829472.db2.gz HPVCZNGJTYIQHD-DLUDVSRJSA-N -1 1 563.031 6.160 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955178 553829474 /nfs/dbraw/zinc/82/94/74/553829474.db2.gz HPVCZNGJTYIQHD-DLUDVSRJSA-N -1 1 563.031 6.160 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097955174 553829530 /nfs/dbraw/zinc/82/95/30/553829530.db2.gz KQPYGYLAGMSVCU-GYCJOSAFSA-N -1 1 560.628 5.299 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097955174 553829533 /nfs/dbraw/zinc/82/95/33/553829533.db2.gz KQPYGYLAGMSVCU-GYCJOSAFSA-N -1 1 560.628 5.299 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097955199 553829824 /nfs/dbraw/zinc/82/98/24/553829824.db2.gz HLWCUSDINRGWJD-VOIUYBSRSA-N -1 1 546.645 5.858 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000097955219 553829862 /nfs/dbraw/zinc/82/98/62/553829862.db2.gz VHGSHLRJPVXKPD-QUGAMOGWSA-N -1 1 526.614 6.110 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097955231 553830343 /nfs/dbraw/zinc/83/03/43/553830343.db2.gz REEXOHVOGRQKHE-VTLMBFNKSA-N -1 1 648.737 7.389 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000097955288 553830607 /nfs/dbraw/zinc/83/06/07/553830607.db2.gz ZZCXLASIVRQLDJ-BZQUYTCOSA-N -1 1 530.577 5.940 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000097955290 553830671 /nfs/dbraw/zinc/83/06/71/553830671.db2.gz HZXOHJQHQPGFTD-DEOSSOPVSA-N -1 1 623.481 5.944 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097955263 553830680 /nfs/dbraw/zinc/83/06/80/553830680.db2.gz UPODBMJPAIOXNH-ZLOXQWCVSA-N -1 1 547.976 5.964 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097955598 553831539 /nfs/dbraw/zinc/83/15/39/553831539.db2.gz YHQCXNUCMDSAAQ-MYYSRTQBSA-N -1 1 527.558 5.619 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000097955602 553831733 /nfs/dbraw/zinc/83/17/33/553831733.db2.gz HHSAHDPRDVBNNE-CMJOXMDJSA-N -1 1 548.617 5.133 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000097955602 553831735 /nfs/dbraw/zinc/83/17/35/553831735.db2.gz HHSAHDPRDVBNNE-CMJOXMDJSA-N -1 1 548.617 5.133 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955618 553831975 /nfs/dbraw/zinc/83/19/75/553831975.db2.gz WMGDDBWGNABGNP-MQNRADLISA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097955605 553832014 /nfs/dbraw/zinc/83/20/14/553832014.db2.gz HINZALNEPYMKJS-AKJBCIBTSA-N -1 1 542.613 5.810 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955643 553832448 /nfs/dbraw/zinc/83/24/48/553832448.db2.gz XLCWGWZAAIEWAZ-BSEYFRJRSA-N -1 1 533.005 6.065 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000097955655 553832466 /nfs/dbraw/zinc/83/24/66/553832466.db2.gz NHZNUWPSSODBAE-CPJLOUKISA-N -1 1 541.585 5.928 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000097955640 553832498 /nfs/dbraw/zinc/83/24/98/553832498.db2.gz MFISSRQSOXHHDR-NPMABZOXSA-N -1 1 520.969 6.195 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955675 553832755 /nfs/dbraw/zinc/83/27/55/553832755.db2.gz OIFLNOFYRNDDCH-UULLZXFKSA-N -1 1 588.657 6.729 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955675 553832758 /nfs/dbraw/zinc/83/27/58/553832758.db2.gz OIFLNOFYRNDDCH-UULLZXFKSA-N -1 1 588.657 6.729 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955674 553832916 /nfs/dbraw/zinc/83/29/16/553832916.db2.gz OIFLNOFYRNDDCH-JYRCXFKTSA-N -1 1 588.657 6.729 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955674 553832919 /nfs/dbraw/zinc/83/29/19/553832919.db2.gz OIFLNOFYRNDDCH-JYRCXFKTSA-N -1 1 588.657 6.729 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955711 553833257 /nfs/dbraw/zinc/83/32/57/553833257.db2.gz VZHSGBIUCMPMSO-DXPJPUQTSA-N -1 1 542.613 5.815 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(CC)cc3)sc2c1 ZINC000097955760 553833581 /nfs/dbraw/zinc/83/35/81/553833581.db2.gz BJMZJEDYOKHQIT-CBZJRKILSA-N -1 1 540.641 6.364 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097955755 553833635 /nfs/dbraw/zinc/83/36/35/553833635.db2.gz LCJYVBRZRSVTIK-QMTYFTJSSA-N -1 1 528.605 6.665 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097955754 553833641 /nfs/dbraw/zinc/83/36/41/553833641.db2.gz LCJYVBRZRSVTIK-YHAMSUFESA-N -1 1 528.605 6.665 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955806 553834132 /nfs/dbraw/zinc/83/41/32/553834132.db2.gz KFPMLYTVLDONCL-LBEKAKSKSA-N -1 1 602.684 7.119 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955806 553834134 /nfs/dbraw/zinc/83/41/34/553834134.db2.gz KFPMLYTVLDONCL-LBEKAKSKSA-N -1 1 602.684 7.119 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000097955813 553834251 /nfs/dbraw/zinc/83/42/51/553834251.db2.gz FXYQDBRJQREDIP-NPMABZOXSA-N -1 1 547.976 5.964 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955852 553834590 /nfs/dbraw/zinc/83/45/90/553834590.db2.gz BSHIIZCSTUITQC-MQNRADLISA-N -1 1 528.586 5.420 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955874 553834849 /nfs/dbraw/zinc/83/48/49/553834849.db2.gz HFXHBJCRGQIUGD-QMTYFTJSSA-N -1 1 542.613 5.810 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097956211 553836935 /nfs/dbraw/zinc/83/69/35/553836935.db2.gz XRHXACZBACVSFO-QYBDOPJKSA-N -1 1 524.598 5.828 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097956211 553836939 /nfs/dbraw/zinc/83/69/39/553836939.db2.gz XRHXACZBACVSFO-QYBDOPJKSA-N -1 1 524.598 5.828 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097956213 553837012 /nfs/dbraw/zinc/83/70/12/553837012.db2.gz BMOHUNAANDOMDA-QLXKLKPCSA-N -1 1 539.613 5.532 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000097956213 553837014 /nfs/dbraw/zinc/83/70/14/553837014.db2.gz BMOHUNAANDOMDA-QLXKLKPCSA-N -1 1 539.613 5.532 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097956226 553837041 /nfs/dbraw/zinc/83/70/41/553837041.db2.gz LQCARSUPQNCQIE-JCQPUDPBSA-N -1 1 531.521 5.450 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000097956273 553837352 /nfs/dbraw/zinc/83/73/52/553837352.db2.gz OKSDWNLDRDSHEN-DEOSSOPVSA-N -1 1 532.021 6.170 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097956801 553841796 /nfs/dbraw/zinc/84/17/96/553841796.db2.gz IJTJQAQMUAZECX-JOCHJYFZSA-N -1 1 534.634 5.636 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000097956784 553841943 /nfs/dbraw/zinc/84/19/43/553841943.db2.gz YXIRIQHEFPVOIJ-HXUWFJFHSA-N -1 1 561.443 6.035 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956809 553842143 /nfs/dbraw/zinc/84/21/43/553842143.db2.gz XJRUSCSYCSGSDH-HHHXNRCGSA-N -1 1 596.661 6.687 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956810 553842243 /nfs/dbraw/zinc/84/22/43/553842243.db2.gz XJRUSCSYCSGSDH-MHZLTWQESA-N -1 1 596.661 6.687 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097956847 553842614 /nfs/dbraw/zinc/84/26/14/553842614.db2.gz SPAOKHAKLBCRAE-QHCPKHFHSA-N -1 1 548.661 6.026 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccccc2OCC)nc1C ZINC000097956860 553842649 /nfs/dbraw/zinc/84/26/49/553842649.db2.gz LQHWZFXDQMQUTG-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccccc2OCC)nc1C ZINC000097956860 553842651 /nfs/dbraw/zinc/84/26/51/553842651.db2.gz LQHWZFXDQMQUTG-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097966972 553912692 /nfs/dbraw/zinc/91/26/92/553912692.db2.gz GPPBZDNWKZOYSY-WJOKGBTCSA-N -1 1 646.721 7.701 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967236 553915760 /nfs/dbraw/zinc/91/57/60/553915760.db2.gz ZEWSBWXRXLWYKX-AUSOSSAASA-N -1 1 648.737 7.389 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967236 553915762 /nfs/dbraw/zinc/91/57/62/553915762.db2.gz ZEWSBWXRXLWYKX-AUSOSSAASA-N -1 1 648.737 7.389 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967282 553916144 /nfs/dbraw/zinc/91/61/44/553916144.db2.gz VTOLIRNNZYXPDB-RBSBEOHCSA-N -1 1 598.677 6.375 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967287 553916337 /nfs/dbraw/zinc/91/63/37/553916337.db2.gz QWQAZSRKYZLJHN-NDEPHWFRSA-N -1 1 600.649 5.823 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967287 553916343 /nfs/dbraw/zinc/91/63/43/553916343.db2.gz QWQAZSRKYZLJHN-NDEPHWFRSA-N -1 1 600.649 5.823 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097967320 553916734 /nfs/dbraw/zinc/91/67/34/553916734.db2.gz XPRNTVKAFJGEPL-PMERELPUSA-N -1 1 614.720 6.901 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967314 553916810 /nfs/dbraw/zinc/91/68/10/553916810.db2.gz CHMVSBHKVCKRGA-JCOAXYOVSA-N -1 1 612.748 7.597 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097967327 553916842 /nfs/dbraw/zinc/91/68/42/553916842.db2.gz TXDTVXIBWAPKEC-OWJWWREXSA-N -1 1 577.634 6.215 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097967343 553917183 /nfs/dbraw/zinc/91/71/83/553917183.db2.gz NILAEUQPCJKQOY-LJAQVGFWSA-N -1 1 656.713 6.160 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967377 553917507 /nfs/dbraw/zinc/91/75/07/553917507.db2.gz GTHXRJOCSSNRFL-JCOAXYOVSA-N -1 1 665.768 7.655 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097967369 553917592 /nfs/dbraw/zinc/91/75/92/553917592.db2.gz QFHNBBZYPQCLJL-RUZDIDTESA-N -1 1 576.627 5.431 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967367 553917653 /nfs/dbraw/zinc/91/76/53/553917653.db2.gz OLYIFRFKODBTJX-LBEKAKSKSA-N -1 1 600.693 6.599 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097967381 553917672 /nfs/dbraw/zinc/91/76/72/553917672.db2.gz WLCAPYHJBBGDRB-NHRFMIRVSA-N -1 1 677.848 8.659 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967375 553917739 /nfs/dbraw/zinc/91/77/39/553917739.db2.gz GTHXRJOCSSNRFL-BGOLNKOXSA-N -1 1 665.768 7.655 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967373 553917769 /nfs/dbraw/zinc/91/77/69/553917769.db2.gz QZGMFLBIMAGHDE-UULLZXFKSA-N -1 1 586.666 6.209 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097967395 553918037 /nfs/dbraw/zinc/91/80/37/553918037.db2.gz KHWWPQWROSHUGV-QUGAMOGWSA-N -1 1 560.672 6.185 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097967394 553918112 /nfs/dbraw/zinc/91/81/12/553918112.db2.gz KHWWPQWROSHUGV-WGDIFIGCSA-N -1 1 560.672 6.185 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097967424 553918120 /nfs/dbraw/zinc/91/81/20/553918120.db2.gz PPBWOGYIFHYKLO-WJOKGBTCSA-N -1 1 620.683 6.828 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097967424 553918124 /nfs/dbraw/zinc/91/81/24/553918124.db2.gz PPBWOGYIFHYKLO-WJOKGBTCSA-N -1 1 620.683 6.828 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967429 553918537 /nfs/dbraw/zinc/91/85/37/553918537.db2.gz XMNJAQNYXCVJIG-MHZLTWQESA-N -1 1 554.624 6.032 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967503 553919317 /nfs/dbraw/zinc/91/93/17/553919317.db2.gz NBCMWMRHEFYBPT-OHWKKVTOSA-N -1 1 707.874 8.668 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000097967500 553919439 /nfs/dbraw/zinc/91/94/39/553919439.db2.gz AHTBQTNYGQAKDN-RCRUUEGKSA-N -1 1 641.815 7.670 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097967576 553920100 /nfs/dbraw/zinc/92/01/00/553920100.db2.gz DZIAGLHPKDBBAD-LJAQVGFWSA-N -1 1 670.740 6.490 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097967585 553920560 /nfs/dbraw/zinc/92/05/60/553920560.db2.gz JLXAYMFFMKXVDE-SSOJOUAXSA-N -1 1 576.671 5.913 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097967585 553920562 /nfs/dbraw/zinc/92/05/62/553920562.db2.gz JLXAYMFFMKXVDE-SSOJOUAXSA-N -1 1 576.671 5.913 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000097967591 553920672 /nfs/dbraw/zinc/92/06/72/553920672.db2.gz RPALZPCDFUSIQJ-MYODQAERSA-N -1 1 571.869 7.363 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097967637 553920926 /nfs/dbraw/zinc/92/09/26/553920926.db2.gz AHOVLGZZTSJJKF-YTTGMZPUSA-N -1 1 650.709 6.837 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097967637 553920929 /nfs/dbraw/zinc/92/09/29/553920929.db2.gz AHOVLGZZTSJJKF-YTTGMZPUSA-N -1 1 650.709 6.837 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097967634 553921022 /nfs/dbraw/zinc/92/10/22/553921022.db2.gz XFXBPYNQAKCALO-WJOKGBTCSA-N -1 1 628.747 7.291 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097967636 553921068 /nfs/dbraw/zinc/92/10/68/553921068.db2.gz AHOVLGZZTSJJKF-JGCGQSQUSA-N -1 1 650.709 6.837 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097967636 553921073 /nfs/dbraw/zinc/92/10/73/553921073.db2.gz AHOVLGZZTSJJKF-JGCGQSQUSA-N -1 1 650.709 6.837 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097967650 553921338 /nfs/dbraw/zinc/92/13/38/553921338.db2.gz JPNQZRSZEZYKBF-MYUZEXMDSA-N -1 1 554.624 5.837 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097967650 553921341 /nfs/dbraw/zinc/92/13/41/553921341.db2.gz JPNQZRSZEZYKBF-MYUZEXMDSA-N -1 1 554.624 5.837 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967675 553921740 /nfs/dbraw/zinc/92/17/40/553921740.db2.gz DYPMEWPQOCKMHI-GEFUHLBYSA-N -1 1 604.684 7.594 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097967694 553921936 /nfs/dbraw/zinc/92/19/36/553921936.db2.gz VYSLINBLAANUHM-FZYZMVIOSA-N -1 1 622.674 7.129 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097967694 553921939 /nfs/dbraw/zinc/92/19/39/553921939.db2.gz VYSLINBLAANUHM-FZYZMVIOSA-N -1 1 622.674 7.129 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967677 553921974 /nfs/dbraw/zinc/92/19/74/553921974.db2.gz DYPMEWPQOCKMHI-QJWGWKRISA-N -1 1 604.684 7.594 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097967730 553922293 /nfs/dbraw/zinc/92/22/93/553922293.db2.gz UKTBPZRMHASWBI-MYUZEXMDSA-N -1 1 620.724 6.312 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097967730 553922295 /nfs/dbraw/zinc/92/22/95/553922295.db2.gz UKTBPZRMHASWBI-MYUZEXMDSA-N -1 1 620.724 6.312 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967733 553922363 /nfs/dbraw/zinc/92/23/63/553922363.db2.gz DSYRIIJYHPDRLC-AUSOSSAASA-N -1 1 760.721 9.221 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097967746 553922692 /nfs/dbraw/zinc/92/26/92/553922692.db2.gz CUMUMGYDMBJQRI-VKGTZQKMSA-N -1 1 554.668 6.890 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967772 553923098 /nfs/dbraw/zinc/92/30/98/553923098.db2.gz QWEFSURMYXRSCP-SOKVYYICSA-N -1 1 575.086 7.235 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967772 553923102 /nfs/dbraw/zinc/92/31/02/553923102.db2.gz QWEFSURMYXRSCP-SOKVYYICSA-N -1 1 575.086 7.235 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967777 553923225 /nfs/dbraw/zinc/92/32/25/553923225.db2.gz BSGKPVVDFAYZMA-GDLZYMKVSA-N -1 1 614.676 6.213 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967777 553923228 /nfs/dbraw/zinc/92/32/28/553923228.db2.gz BSGKPVVDFAYZMA-GDLZYMKVSA-N -1 1 614.676 6.213 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967812 553923497 /nfs/dbraw/zinc/92/34/97/553923497.db2.gz NJEQMFHQUVQSEO-LDLUVENISA-N -1 1 619.139 7.490 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967802 553923664 /nfs/dbraw/zinc/92/36/64/553923664.db2.gz XKXGISCDPXUTEV-CGKQSPDFSA-N -1 1 634.710 6.999 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967802 553923668 /nfs/dbraw/zinc/92/36/68/553923668.db2.gz XKXGISCDPXUTEV-CGKQSPDFSA-N -1 1 634.710 6.999 50 30 KKEAMM C[C@@H]1CCC[C@@H](C)N1c1nc(=NN=Cc2cccc([N+](=O)[O-])c2[O-])nc(N(c2ccccc2)c2ccccc2)[nH]1 ZINC000033353333 553924486 /nfs/dbraw/zinc/92/44/86/553924486.db2.gz WKCAIEXFIOELPP-OUNKDNHMSA-N -1 1 538.612 6.169 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097967907 553924875 /nfs/dbraw/zinc/92/48/75/553924875.db2.gz WCSDKMVKTIVPAP-QWXGXRTQSA-N -1 1 558.612 5.516 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097967907 553924876 /nfs/dbraw/zinc/92/48/76/553924876.db2.gz WCSDKMVKTIVPAP-QWXGXRTQSA-N -1 1 558.612 5.516 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097967908 553924904 /nfs/dbraw/zinc/92/49/04/553924904.db2.gz WCSDKMVKTIVPAP-HAWMADMCSA-N -1 1 558.612 5.516 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097967908 553924905 /nfs/dbraw/zinc/92/49/05/553924905.db2.gz WCSDKMVKTIVPAP-HAWMADMCSA-N -1 1 558.612 5.516 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097967994 553926081 /nfs/dbraw/zinc/92/60/81/553926081.db2.gz DBRZIJQTLFVCMZ-AREMUKBSSA-N -1 1 619.696 6.312 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000097968007 553926134 /nfs/dbraw/zinc/92/61/34/553926134.db2.gz ZSLBLIASEMFZGN-PSXMRANNSA-N -1 1 743.863 8.515 50 30 KKEAMM O=[N+]([O-])c1ccc([N-]c2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000033353670 553926493 /nfs/dbraw/zinc/92/64/93/553926493.db2.gz GDNWKQSBEFRYIG-UHFFFAOYSA-N -1 1 549.228 5.267 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968039 553926550 /nfs/dbraw/zinc/92/65/50/553926550.db2.gz RAHJEOYXSZVSFP-LJAQVGFWSA-N -1 1 637.739 6.936 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000097968028 553926623 /nfs/dbraw/zinc/92/66/23/553926623.db2.gz AOFGDZORZSMUFP-HKBQPEDESA-N -1 1 687.840 7.517 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)s2)cc1 ZINC000097968030 553926635 /nfs/dbraw/zinc/92/66/35/553926635.db2.gz DQTFQRBYERFOAM-DEOSSOPVSA-N -1 1 575.643 5.832 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968020 553926695 /nfs/dbraw/zinc/92/66/95/553926695.db2.gz WPYOQNRXECATOT-VWLOTQADSA-N -1 1 622.124 6.437 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968046 553926921 /nfs/dbraw/zinc/92/69/21/553926921.db2.gz AQAXVAHUTIQKJC-GDLZYMKVSA-N -1 1 694.231 7.616 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968073 553927001 /nfs/dbraw/zinc/92/70/01/553927001.db2.gz JBFUHULSNCKJHE-QJWGWKRISA-N -1 1 740.731 9.211 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968056 553927133 /nfs/dbraw/zinc/92/71/33/553927133.db2.gz BZVAKFLIKXDIKU-SSEXGKCCSA-N -1 1 691.803 7.491 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968105 553927887 /nfs/dbraw/zinc/92/78/87/553927887.db2.gz AULUGEMZVSFNTB-MYYSRTQBSA-N -1 1 594.089 6.729 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968128 553928018 /nfs/dbraw/zinc/92/80/18/553928018.db2.gz PBHQDNYFMDEVKP-MUUNZHRXSA-N -1 1 629.760 6.954 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097968111 553928022 /nfs/dbraw/zinc/92/80/22/553928022.db2.gz ZDDHKJGHTFTGIT-RUZDIDTESA-N -1 1 587.679 5.702 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097968135 553928369 /nfs/dbraw/zinc/92/83/69/553928369.db2.gz CWWWWTYROUCXLF-LJAQVGFWSA-N -1 1 626.687 6.186 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097968134 553928412 /nfs/dbraw/zinc/92/84/12/553928412.db2.gz CWWWWTYROUCXLF-GDLZYMKVSA-N -1 1 626.687 6.186 50 30 KKEAMM O=[N+]([O-])c1ccc(Nc2nc(N=NCc3cc(I)cc(I)c3[O-])nc(Nc3ccccc3)n2)cc1 ZINC000033354078 553928532 /nfs/dbraw/zinc/92/85/32/553928532.db2.gz SXIYPAVJLCEZCR-BRJLIKDPSA-N -1 1 694.231 5.628 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097968278 553930055 /nfs/dbraw/zinc/93/00/55/553930055.db2.gz LPIQYEURHMLBNI-DEOSSOPVSA-N -1 1 564.616 5.006 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097968264 553930116 /nfs/dbraw/zinc/93/01/16/553930116.db2.gz JGABDXVDFVQRKG-XMMPIXPASA-N -1 1 573.652 5.393 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000097968353 553930744 /nfs/dbraw/zinc/93/07/44/553930744.db2.gz PCNKJAZIVDQLJD-OYLFLEFRSA-N -1 1 575.643 5.781 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097968339 553930882 /nfs/dbraw/zinc/93/08/82/553930882.db2.gz VFQMQIPRNIZNKH-XMMPIXPASA-N -1 1 601.662 5.171 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097968371 553931488 /nfs/dbraw/zinc/93/14/88/553931488.db2.gz MQEBWPUPNLLRBK-HHHXNRCGSA-N -1 1 611.676 6.677 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968407 553932015 /nfs/dbraw/zinc/93/20/15/553932015.db2.gz ZFNCNKOWNWQFCI-PMERELPUSA-N -1 1 673.813 7.352 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097968386 553932023 /nfs/dbraw/zinc/93/20/23/553932023.db2.gz KICWYYPJCWGRMX-QHCPKHFHSA-N -1 1 612.516 6.691 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968388 553932046 /nfs/dbraw/zinc/93/20/46/553932046.db2.gz DNGNDUUIHCQRJL-SANMLTNESA-N -1 1 636.151 6.827 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000097968418 553932401 /nfs/dbraw/zinc/93/24/01/553932401.db2.gz KOIGESPLGCVLLV-SPSFWMDKSA-N -1 1 611.445 6.018 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968432 553932535 /nfs/dbraw/zinc/93/25/35/553932535.db2.gz GINNWSRVJHVZAN-HHHXNRCGSA-N -1 1 613.717 6.258 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000033355499 553934996 /nfs/dbraw/zinc/93/49/96/553934996.db2.gz ALMHBFVIOBNKKR-JOCHJYFZSA-N -1 1 600.005 5.460 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969144 553936874 /nfs/dbraw/zinc/93/68/74/553936874.db2.gz YTHUMWWYMOGPCI-CBZJRKILSA-N -1 1 556.640 6.200 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969145 553937052 /nfs/dbraw/zinc/93/70/52/553937052.db2.gz YTHUMWWYMOGPCI-SOKVYYICSA-N -1 1 556.640 6.200 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097969157 553937523 /nfs/dbraw/zinc/93/75/23/553937523.db2.gz VHZWXNNUDXQQAB-LFPIHBKWSA-N -1 1 551.451 7.018 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969191 553937703 /nfs/dbraw/zinc/93/77/03/553937703.db2.gz NUSWFWKZBZNRLE-AFJIDDCJSA-N -1 1 662.233 8.159 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969192 553937896 /nfs/dbraw/zinc/93/78/96/553937896.db2.gz NUSWFWKZBZNRLE-WRONEBCDSA-N -1 1 662.233 8.159 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969216 553938184 /nfs/dbraw/zinc/93/81/84/553938184.db2.gz PCPYJZJBKHZVQZ-GFJKYASSSA-N -1 1 618.711 7.380 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969298 553939283 /nfs/dbraw/zinc/93/92/83/553939283.db2.gz KRRUGKLDGCKFSV-NDEPHWFRSA-N -1 1 602.665 6.047 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097969304 553939387 /nfs/dbraw/zinc/93/93/87/553939387.db2.gz IYRWEOCMHHKBJK-RQZFFVEVSA-N -1 1 639.129 7.644 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969283 553939435 /nfs/dbraw/zinc/93/94/35/553939435.db2.gz ZSFREEOKHPESSI-DNOBIOAJSA-N -1 1 632.163 7.155 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969336 553939669 /nfs/dbraw/zinc/93/96/69/553939669.db2.gz WHQXNSFCKMKFMA-WINIVTDRSA-N -1 1 597.718 6.502 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969364 553940185 /nfs/dbraw/zinc/94/01/85/553940185.db2.gz ZCAPDYOJLPDYGN-WENCNXQZSA-N -1 1 635.767 7.489 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969364 553940189 /nfs/dbraw/zinc/94/01/89/553940189.db2.gz ZCAPDYOJLPDYGN-WENCNXQZSA-N -1 1 635.767 7.489 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC=C)c2)nc1C ZINC000097969595 553942610 /nfs/dbraw/zinc/94/26/10/553942610.db2.gz GOOTUXARKNMTAR-GKVSMKOHSA-N -1 1 572.639 5.465 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC=C)c2)nc1C ZINC000097969595 553942613 /nfs/dbraw/zinc/94/26/13/553942613.db2.gz GOOTUXARKNMTAR-GKVSMKOHSA-N -1 1 572.639 5.465 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097969621 553942972 /nfs/dbraw/zinc/94/29/72/553942972.db2.gz FWCXPYNGIJJICV-XDBZFTIUSA-N -1 1 604.725 6.728 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097969621 553942974 /nfs/dbraw/zinc/94/29/74/553942974.db2.gz FWCXPYNGIJJICV-XDBZFTIUSA-N -1 1 604.725 6.728 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969651 553943381 /nfs/dbraw/zinc/94/33/81/553943381.db2.gz VLCALTNROZAOOJ-PUAOIOHZSA-N -1 1 606.125 6.599 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097969663 553943526 /nfs/dbraw/zinc/94/35/26/553943526.db2.gz SDXDZPKDVSRHBZ-SANMLTNESA-N -1 1 556.640 6.157 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969716 553944107 /nfs/dbraw/zinc/94/41/07/553944107.db2.gz WVYNXMUDLDOHLB-GDLZYMKVSA-N -1 1 600.693 6.818 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969716 553944108 /nfs/dbraw/zinc/94/41/08/553944108.db2.gz WVYNXMUDLDOHLB-GDLZYMKVSA-N -1 1 600.693 6.818 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097969726 553944173 /nfs/dbraw/zinc/94/41/73/553944173.db2.gz UWMVUGWZDZLXJR-JGCGQSQUSA-N -1 1 634.710 7.137 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969761 553944669 /nfs/dbraw/zinc/94/46/69/553944669.db2.gz YVYAOIAJNXIAIN-ACSYHNTCSA-N -1 1 568.695 7.136 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969789 553944897 /nfs/dbraw/zinc/94/48/97/553944897.db2.gz FHRFIGQRYJQXFE-OQRWROFFSA-N -1 1 602.665 5.827 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097969789 553944900 /nfs/dbraw/zinc/94/49/00/553944900.db2.gz FHRFIGQRYJQXFE-OQRWROFFSA-N -1 1 602.665 5.827 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097969810 553945518 /nfs/dbraw/zinc/94/55/18/553945518.db2.gz JONNWPWVOCBTFL-ODCWNRFASA-N -1 1 591.483 6.564 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969858 553945934 /nfs/dbraw/zinc/94/59/34/553945934.db2.gz HMFOROSSGMGAEQ-HMILPKGGSA-N -1 1 629.760 6.734 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097969913 553946902 /nfs/dbraw/zinc/94/69/02/553946902.db2.gz YTFPWTVVRGOFTG-UZTOHYMASA-N -1 1 602.709 6.470 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097969913 553946905 /nfs/dbraw/zinc/94/69/05/553946905.db2.gz YTFPWTVVRGOFTG-UZTOHYMASA-N -1 1 602.709 6.470 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097969951 553947363 /nfs/dbraw/zinc/94/73/63/553947363.db2.gz WAMPXBLPDXESLM-LJAQVGFWSA-N -1 1 592.629 6.651 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969980 553947714 /nfs/dbraw/zinc/94/77/14/553947714.db2.gz BBOKVUNJXFWJAH-QTEAWJPNSA-N -1 1 614.720 6.989 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969987 553947777 /nfs/dbraw/zinc/94/77/77/553947777.db2.gz WKRXHEUEUFIBGL-QTEAWJPNSA-N -1 1 614.720 6.845 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969987 553947780 /nfs/dbraw/zinc/94/77/80/553947780.db2.gz WKRXHEUEUFIBGL-QTEAWJPNSA-N -1 1 614.720 6.845 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097969961 553947873 /nfs/dbraw/zinc/94/78/73/553947873.db2.gz XYXOGNMJLCCZBV-JMQGSBJISA-N -1 1 580.662 6.339 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097969961 553947876 /nfs/dbraw/zinc/94/78/76/553947876.db2.gz XYXOGNMJLCCZBV-JMQGSBJISA-N -1 1 580.662 6.339 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000097970000 553948139 /nfs/dbraw/zinc/94/81/39/553948139.db2.gz PBSJQHLTLPOXDS-ICACTRECSA-N -1 1 602.712 7.598 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097969993 553948179 /nfs/dbraw/zinc/94/81/79/553948179.db2.gz ARUVKLHDGYVQME-GFJKYASSSA-N -1 1 642.774 7.625 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970020 553948278 /nfs/dbraw/zinc/94/82/78/553948278.db2.gz LIORHOOMLOGPNK-JMQGSBJISA-N -1 1 589.113 7.625 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970020 553948279 /nfs/dbraw/zinc/94/82/79/553948279.db2.gz LIORHOOMLOGPNK-JMQGSBJISA-N -1 1 589.113 7.625 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970037 553948644 /nfs/dbraw/zinc/94/86/44/553948644.db2.gz WMQTYBYLZGXGMK-QMTYFTJSSA-N -1 1 574.655 5.724 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970037 553948646 /nfs/dbraw/zinc/94/86/46/553948646.db2.gz WMQTYBYLZGXGMK-QMTYFTJSSA-N -1 1 574.655 5.724 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970035 553948714 /nfs/dbraw/zinc/94/87/14/553948714.db2.gz CQFNRBHTFXLVBR-ADXZGYQBSA-N -1 1 621.740 7.099 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970072 553948955 /nfs/dbraw/zinc/94/89/55/553948955.db2.gz ANSKROOFOOKZOM-SLQAJWMNSA-N -1 1 584.694 6.980 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970062 553948966 /nfs/dbraw/zinc/94/89/66/553948966.db2.gz ODYGJAOXOGXNQP-IVCQMTBJSA-N -1 1 590.654 5.308 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970062 553948967 /nfs/dbraw/zinc/94/89/67/553948967.db2.gz ODYGJAOXOGXNQP-IVCQMTBJSA-N -1 1 590.654 5.308 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970067 553949023 /nfs/dbraw/zinc/94/90/23/553949023.db2.gz AUIKROCVVBFSSI-AREMUKBSSA-N -1 1 604.681 5.773 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970115 553949606 /nfs/dbraw/zinc/94/96/06/553949606.db2.gz XTZZZZDKMWQPDM-DNOBIOAJSA-N -1 1 617.724 6.865 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970137 553949971 /nfs/dbraw/zinc/94/99/71/553949971.db2.gz HSCWZHWQCOIECU-CRYYWNKWSA-N -1 1 575.086 7.235 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970137 553949975 /nfs/dbraw/zinc/94/99/75/553949975.db2.gz HSCWZHWQCOIECU-CRYYWNKWSA-N -1 1 575.086 7.235 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097970132 553950032 /nfs/dbraw/zinc/95/00/32/553950032.db2.gz HPSYUKJYSZXWJD-HSZRJFAPSA-N -1 1 625.453 5.336 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097970128 553950124 /nfs/dbraw/zinc/95/01/24/553950124.db2.gz LJJBLXGONNSSAK-NDEPHWFRSA-N -1 1 626.687 6.179 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970153 553950454 /nfs/dbraw/zinc/95/04/54/553950454.db2.gz MTKXQTKARLKASV-WRHNGFHOSA-N -1 1 647.750 6.873 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000097970201 553950786 /nfs/dbraw/zinc/95/07/86/553950786.db2.gz BEQZGUPZGZIKEH-KATKFWMUSA-N -1 1 709.821 8.054 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970204 553950812 /nfs/dbraw/zinc/95/08/12/553950812.db2.gz CEHGKECVOYNMOI-AREMUKBSSA-N -1 1 556.596 5.424 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970204 553950813 /nfs/dbraw/zinc/95/08/13/553950813.db2.gz CEHGKECVOYNMOI-AREMUKBSSA-N -1 1 556.596 5.424 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970205 553950817 /nfs/dbraw/zinc/95/08/17/553950817.db2.gz CEHGKECVOYNMOI-SANMLTNESA-N -1 1 556.596 5.424 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970205 553950819 /nfs/dbraw/zinc/95/08/19/553950819.db2.gz CEHGKECVOYNMOI-SANMLTNESA-N -1 1 556.596 5.424 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970221 553951090 /nfs/dbraw/zinc/95/10/90/553951090.db2.gz BYRZQMYNSNSTJW-SLQAJWMNSA-N -1 1 584.694 6.836 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970233 553951323 /nfs/dbraw/zinc/95/13/23/553951323.db2.gz DONRJXXMKFYYOL-BGOLNKOXSA-N -1 1 633.795 8.213 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970247 553951643 /nfs/dbraw/zinc/95/16/43/553951643.db2.gz QJODPTZUVUUFST-UKPGIYTDSA-N -1 1 649.794 7.879 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970245 553951767 /nfs/dbraw/zinc/95/17/67/553951767.db2.gz QJODPTZUVUUFST-BGOLNKOXSA-N -1 1 649.794 7.879 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970294 553952023 /nfs/dbraw/zinc/95/20/23/553952023.db2.gz CBWHGNCIVAOMEX-KEEVHDRGSA-N -1 1 654.741 6.712 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970272 553952092 /nfs/dbraw/zinc/95/20/92/553952092.db2.gz FXEUSOROWBRCKS-GYCJOSAFSA-N -1 1 562.644 5.523 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970272 553952093 /nfs/dbraw/zinc/95/20/93/553952093.db2.gz FXEUSOROWBRCKS-GYCJOSAFSA-N -1 1 562.644 5.523 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970306 553952623 /nfs/dbraw/zinc/95/26/23/553952623.db2.gz OHNPKJGVLJIHBL-IVCQMTBJSA-N -1 1 617.680 5.862 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097970338 553952986 /nfs/dbraw/zinc/95/29/86/553952986.db2.gz QZVFJGIRBUQFFQ-WRHNGFHOSA-N -1 1 554.668 6.925 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000097970370 553953312 /nfs/dbraw/zinc/95/33/12/553953312.db2.gz HGPSLNGYSRVAEG-HFJWLAOPSA-N -1 1 588.682 6.080 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000097970370 553953315 /nfs/dbraw/zinc/95/33/15/553953315.db2.gz HGPSLNGYSRVAEG-HFJWLAOPSA-N -1 1 588.682 6.080 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970412 553953712 /nfs/dbraw/zinc/95/37/12/553953712.db2.gz PMBWGHQBHSZRTE-HHHXNRCGSA-N -1 1 612.660 5.761 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097970481 553954565 /nfs/dbraw/zinc/95/45/65/553954565.db2.gz KCNAMNPYIMCHCP-XIFFEERXSA-N -1 1 664.736 7.227 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097970481 553954571 /nfs/dbraw/zinc/95/45/71/553954571.db2.gz KCNAMNPYIMCHCP-XIFFEERXSA-N -1 1 664.736 7.227 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970474 553954679 /nfs/dbraw/zinc/95/46/79/553954679.db2.gz BZLPTEFJJCHWLY-HMILPKGGSA-N -1 1 648.206 7.769 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970479 553954694 /nfs/dbraw/zinc/95/46/94/553954694.db2.gz MHZMSKWSIRTPJG-PMERELPUSA-N -1 1 606.656 6.438 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970479 553954697 /nfs/dbraw/zinc/95/46/97/553954697.db2.gz MHZMSKWSIRTPJG-PMERELPUSA-N -1 1 606.656 6.438 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970509 553955153 /nfs/dbraw/zinc/95/51/53/553955153.db2.gz IDCTYBZKGWSICG-QMTYFTJSSA-N -1 1 561.059 6.845 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970509 553955158 /nfs/dbraw/zinc/95/51/58/553955158.db2.gz IDCTYBZKGWSICG-QMTYFTJSSA-N -1 1 561.059 6.845 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970548 553955925 /nfs/dbraw/zinc/95/59/25/553955925.db2.gz PLFISMGMIUOJHY-SANMLTNESA-N -1 1 574.611 5.266 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970592 553956236 /nfs/dbraw/zinc/95/62/36/553956236.db2.gz LKRAGZFDSDNDEA-JCOAXYOVSA-N -1 1 612.748 7.597 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970595 553956240 /nfs/dbraw/zinc/95/62/40/553956240.db2.gz LKRAGZFDSDNDEA-UKPGIYTDSA-N -1 1 612.748 7.597 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097970672 553957044 /nfs/dbraw/zinc/95/70/44/553957044.db2.gz VKINNUVWUPTWEM-DHYKOVJISA-N -1 1 632.738 7.607 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000097970651 553957179 /nfs/dbraw/zinc/95/71/79/553957179.db2.gz QAXDMWSCTJDGAS-QFIPXVFZSA-N -1 1 583.847 6.266 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970704 553957535 /nfs/dbraw/zinc/95/75/35/553957535.db2.gz UJSDQAAKPRUHAN-MQNRADLISA-N -1 1 562.644 5.558 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970704 553957537 /nfs/dbraw/zinc/95/75/37/553957537.db2.gz UJSDQAAKPRUHAN-MQNRADLISA-N -1 1 562.644 5.558 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097970691 553957621 /nfs/dbraw/zinc/95/76/21/553957621.db2.gz FEXZMXFDWHMTQM-XDBZFTIUSA-N -1 1 604.725 6.584 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097970691 553957625 /nfs/dbraw/zinc/95/76/25/553957625.db2.gz FEXZMXFDWHMTQM-XDBZFTIUSA-N -1 1 604.725 6.584 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970728 553958016 /nfs/dbraw/zinc/95/80/16/553958016.db2.gz QVRWSTINTZPUET-PLTNMMHCSA-N -1 1 628.747 7.235 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970761 553958217 /nfs/dbraw/zinc/95/82/17/553958217.db2.gz BGJCALJOSRDVQH-SLQAJWMNSA-N -1 1 676.216 7.554 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097970741 553958228 /nfs/dbraw/zinc/95/82/28/553958228.db2.gz NFVATYSAUKUBCP-HSZRJFAPSA-N -1 1 579.428 5.622 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000097970748 553958241 /nfs/dbraw/zinc/95/82/41/553958241.db2.gz PWYZTXOLDASBGL-UGDMGKLASA-N -1 1 671.841 7.760 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000097970749 553958254 /nfs/dbraw/zinc/95/82/54/553958254.db2.gz PWYZTXOLDASBGL-JPZYQRIQSA-N -1 1 671.841 7.760 50 30 KKEAMM Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)cc2[N+](=O)[O-])cc1 ZINC000097981456 553994095 /nfs/dbraw/zinc/99/40/95/553994095.db2.gz GABVIRQCRAFVGR-REZTVBANSA-N -1 1 544.654 7.060 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(F)cc2)nc1C ZINC000098045752 554133535 /nfs/dbraw/zinc/13/35/35/554133535.db2.gz PYHXBXJDNGJBOX-FPTDNZKUSA-N -1 1 534.565 5.040 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1C ZINC000098046336 554137932 /nfs/dbraw/zinc/13/79/32/554137932.db2.gz FBPLRWIQULXJFN-HXUWFJFHSA-N -1 1 526.998 5.382 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000098046350 554137959 /nfs/dbraw/zinc/13/79/59/554137959.db2.gz ORGHLBVVKYEQGC-QHCPKHFHSA-N -1 1 565.047 6.104 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098046373 554138306 /nfs/dbraw/zinc/13/83/06/554138306.db2.gz BBBLJAZAPVRFCV-SANMLTNESA-N -1 1 554.624 6.025 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098046373 554138310 /nfs/dbraw/zinc/13/83/10/554138310.db2.gz BBBLJAZAPVRFCV-SANMLTNESA-N -1 1 554.624 6.025 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1F ZINC000098046510 554139732 /nfs/dbraw/zinc/13/97/32/554139732.db2.gz HFQVYDGFSMIGAH-AREMUKBSSA-N -1 1 708.587 7.391 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046508 554139778 /nfs/dbraw/zinc/13/97/78/554139778.db2.gz ANMMKYXBHXLOOS-RUZDIDTESA-N -1 1 626.131 7.203 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046505 554139820 /nfs/dbraw/zinc/13/98/20/554139820.db2.gz HZFSFDZQUCUYMY-PMERELPUSA-N -1 1 704.201 8.002 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046532 554140334 /nfs/dbraw/zinc/14/03/34/554140334.db2.gz MZXSUSFPRGBNBG-SANMLTNESA-N -1 1 602.137 8.136 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000098046605 554141507 /nfs/dbraw/zinc/14/15/07/554141507.db2.gz MNWANIXQDNYJRV-SANMLTNESA-N -1 1 670.596 7.480 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000098046637 554142045 /nfs/dbraw/zinc/14/20/45/554142045.db2.gz KSCFUIGABHQALK-HXUWFJFHSA-N -1 1 568.677 5.834 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098046666 554142334 /nfs/dbraw/zinc/14/23/34/554142334.db2.gz GYPCVEUZHSBXPE-QFIPXVFZSA-N -1 1 565.604 5.498 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(Br)cc2)s1 ZINC000098046687 554142441 /nfs/dbraw/zinc/14/24/41/554142441.db2.gz VBTAZKLZFPNRGT-XMMPIXPASA-N -1 1 576.472 6.279 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000098046714 554142861 /nfs/dbraw/zinc/14/28/61/554142861.db2.gz HESCSUOHCFFRKI-QFIPXVFZSA-N -1 1 550.061 6.275 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047257 554148319 /nfs/dbraw/zinc/14/83/19/554148319.db2.gz GJEWFBCFACPSOQ-GDLZYMKVSA-N -1 1 657.745 7.322 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccncc2)cc1F ZINC000098047261 554148389 /nfs/dbraw/zinc/14/83/89/554148389.db2.gz XFBWYUFAZAGBDD-RUZDIDTESA-N -1 1 584.654 6.309 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047404 554150398 /nfs/dbraw/zinc/15/03/98/554150398.db2.gz YOLIEUDFPSCCAL-GDLZYMKVSA-N -1 1 647.794 8.110 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000098047423 554150860 /nfs/dbraw/zinc/15/08/60/554150860.db2.gz PBMXAJSUUXQDBA-PMERELPUSA-N -1 1 661.821 8.500 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047433 554150916 /nfs/dbraw/zinc/15/09/16/554150916.db2.gz DZGRNIGFWOHFPH-NDEPHWFRSA-N -1 1 650.222 8.234 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000098047442 554151023 /nfs/dbraw/zinc/15/10/23/554151023.db2.gz SCVQCIRACJXZAH-HSZRJFAPSA-N -1 1 567.063 6.328 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047461 554151371 /nfs/dbraw/zinc/15/13/71/554151371.db2.gz MGUPLUGMFXZFDC-SANMLTNESA-N -1 1 633.723 6.718 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047464 554151464 /nfs/dbraw/zinc/15/14/64/554151464.db2.gz MVBFEUCFTAAZFD-AREMUKBSSA-N -1 1 650.178 7.232 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC ZINC000098047500 554151744 /nfs/dbraw/zinc/15/17/44/554151744.db2.gz XHJKVJKVUISHKB-NDEPHWFRSA-N -1 1 634.751 6.800 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000098047523 554152294 /nfs/dbraw/zinc/15/22/94/554152294.db2.gz YDSPLYPBZBJGJR-NDEPHWFRSA-N -1 1 636.767 7.168 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047530 554152321 /nfs/dbraw/zinc/15/23/21/554152321.db2.gz OJPYWIPEXOFVHF-SSEXGKCCSA-N -1 1 664.821 7.660 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000098047560 554152611 /nfs/dbraw/zinc/15/26/11/554152611.db2.gz JAWOLFPVCYJWOW-XIFFEERXSA-N -1 1 701.911 9.068 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047562 554152617 /nfs/dbraw/zinc/15/26/17/554152617.db2.gz DJRTVLGHENFYLA-DEOSSOPVSA-N -1 1 593.658 6.134 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047548 554152677 /nfs/dbraw/zinc/15/26/77/554152677.db2.gz OBFBNFKSZXOQDR-HKBQPEDESA-N -1 1 673.857 8.370 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OCC ZINC000098047556 554152693 /nfs/dbraw/zinc/15/26/93/554152693.db2.gz BGBCRJQSCLMQOD-HKBQPEDESA-N -1 1 678.848 8.194 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047575 554153021 /nfs/dbraw/zinc/15/30/21/554153021.db2.gz ZOLNMYZSHRPYJT-WJOKGBTCSA-N -1 1 691.847 8.509 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccccc2F)cc1 ZINC000098047597 554153043 /nfs/dbraw/zinc/15/30/43/554153043.db2.gz LUIFKGVYLKJAEU-AREMUKBSSA-N -1 1 589.714 7.240 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047626 554153365 /nfs/dbraw/zinc/15/33/65/554153365.db2.gz OASKTQSFNBINBR-MHZLTWQESA-N -1 1 635.739 6.949 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047609 554153584 /nfs/dbraw/zinc/15/35/84/554153584.db2.gz OAEUFPLORWPBJC-AREMUKBSSA-N -1 1 616.721 7.009 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047648 554153893 /nfs/dbraw/zinc/15/38/93/554153893.db2.gz XJPWRNLEOMYDTM-VWLOTQADSA-N -1 1 620.684 6.840 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047715 554155025 /nfs/dbraw/zinc/15/50/25/554155025.db2.gz DOEBYSNKOXOLEX-JGCGQSQUSA-N -1 1 699.826 8.492 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047704 554155035 /nfs/dbraw/zinc/15/50/35/554155035.db2.gz YHBRZJQSXFARJF-NDEPHWFRSA-N -1 1 627.719 7.313 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(N(C)C)cc2)cc1F ZINC000098047720 554155056 /nfs/dbraw/zinc/15/50/56/554155056.db2.gz HCPMZPNPQLYOHC-NDEPHWFRSA-N -1 1 626.735 6.980 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047744 554155291 /nfs/dbraw/zinc/15/52/91/554155291.db2.gz DFWIALPNXZDINP-NDEPHWFRSA-N -1 1 611.720 7.477 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2F)cc1F ZINC000098047746 554155340 /nfs/dbraw/zinc/15/53/40/554155340.db2.gz MESZTILEZWORPK-SANMLTNESA-N -1 1 601.656 7.053 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047752 554155361 /nfs/dbraw/zinc/15/53/61/554155361.db2.gz LDCNYZBTKXQTRM-NDEPHWFRSA-N -1 1 595.721 7.776 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000098047770 554155811 /nfs/dbraw/zinc/15/58/11/554155811.db2.gz IMHXQFBGSPJKRP-MHZLTWQESA-N -1 1 720.623 7.260 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047759 554155818 /nfs/dbraw/zinc/15/58/18/554155818.db2.gz ZFIYFIDOAUZUTP-JGCGQSQUSA-N -1 1 697.835 7.971 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1OC ZINC000098047808 554156178 /nfs/dbraw/zinc/15/61/78/554156178.db2.gz FMPLMMDLHAIDCC-XIFFEERXSA-N -1 1 687.799 8.576 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000098047798 554156196 /nfs/dbraw/zinc/15/61/96/554156196.db2.gz OYZKKNHAWQMVHG-DHUJRADRSA-N -1 1 731.852 8.371 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000098047797 554156255 /nfs/dbraw/zinc/15/62/55/554156255.db2.gz OYZKKNHAWQMVHG-PGUFJCEWSA-N -1 1 731.852 8.371 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)C)cc2)cc1F ZINC000098047844 554156643 /nfs/dbraw/zinc/15/66/43/554156643.db2.gz CSJQJBHMBQWVPP-LJAQVGFWSA-N -1 1 609.748 8.337 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047830 554156663 /nfs/dbraw/zinc/15/66/63/554156663.db2.gz JSKJPLZOMCIPSO-YTTGMZPUSA-N -1 1 683.827 8.792 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc(Br)c1O ZINC000098047837 554156767 /nfs/dbraw/zinc/15/67/67/554156767.db2.gz IQFHAXNJYHUZDO-AREMUKBSSA-N -1 1 692.588 7.691 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2)cc1F ZINC000098047835 554156784 /nfs/dbraw/zinc/15/67/84/554156784.db2.gz MZYLPVZNQIAZGJ-AREMUKBSSA-N -1 1 567.667 7.214 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000098047988 554158333 /nfs/dbraw/zinc/15/83/33/554158333.db2.gz WJVDFKQPGOFNKY-OYLFLEFRSA-N -1 1 530.602 5.325 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cc4c(c(C)c3)O[C@@H](C)C4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000098048019 554158919 /nfs/dbraw/zinc/15/89/19/554158919.db2.gz PZIYUYFIQCJPPT-ICACTRECSA-N -1 1 632.738 7.607 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048051 554159148 /nfs/dbraw/zinc/15/91/48/554159148.db2.gz GSRJQQLWQPBHII-ODCWNRFASA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048051 554159150 /nfs/dbraw/zinc/15/91/50/554159150.db2.gz GSRJQQLWQPBHII-ODCWNRFASA-N -1 1 530.577 5.940 50 30 KKEAMM O=S(=O)([N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000100007993 554179328 /nfs/dbraw/zinc/17/93/28/554179328.db2.gz DUOFAQPHVVETAB-UHFFFAOYSA-N -1 1 516.179 6.306 50 30 KKEAMM O=[P@]([O-])(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100043302 554192883 /nfs/dbraw/zinc/19/28/83/554192883.db2.gz CETXMCMQEXPPLV-UHFFFAOYSA-N -1 1 528.095 5.564 50 30 KKEAMM Cc1ccc2nc(-c3cc(/N=C\c4cc(Br)c(O)c(Br)c4[O-])ccc3Cl)oc2c1 ZINC000100046749 554193866 /nfs/dbraw/zinc/19/38/66/554193866.db2.gz KYFLDTFTFWSBLK-MWYAZZEHSA-N -1 1 536.607 7.143 50 30 KKEAMM Cc1ccccc1C(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])c1 ZINC000100103729 554220305 /nfs/dbraw/zinc/22/03/05/554220305.db2.gz FVJXNJBDXYAGKR-KBVAKVRCSA-N -1 1 533.853 7.710 50 30 KKEAMM CC(C)=CC[C@@H]1C[C@]23C[C@H](CC=C(C)C)C(C)(C)OC2=C(C(=O)c2ccc([O-])c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000044361207 554301820 /nfs/dbraw/zinc/30/18/20/554301820.db2.gz KXTNVBQRLRYVCO-LPSZMIQCSA-N -1 1 602.812 8.589 50 30 endogenous,in-man KKEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000053276039 554330521 /nfs/dbraw/zinc/33/05/21/554330521.db2.gz JIMPHZVSIVMXET-GHRAFVERSA-N -1 1 584.625 5.256 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000053290498 554331173 /nfs/dbraw/zinc/33/11/73/554331173.db2.gz WUUYWHBJBCXJEU-HXUWFJFHSA-N -1 1 560.242 6.280 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053290120 554331273 /nfs/dbraw/zinc/33/12/73/554331273.db2.gz VHKCEKPJQVWBGW-QHCPKHFHSA-N -1 1 549.446 6.467 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053292009 554332342 /nfs/dbraw/zinc/33/23/42/554332342.db2.gz JWWFPGWIWROWTQ-AREMUKBSSA-N -1 1 542.657 6.784 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000053292118 554332359 /nfs/dbraw/zinc/33/23/59/554332359.db2.gz XUWNUVHMNCPFGH-MHZLTWQESA-N -1 1 572.639 5.875 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053292185 554332392 /nfs/dbraw/zinc/33/23/92/554332392.db2.gz YTAGSVRILBNVHR-QFIPXVFZSA-N -1 1 519.420 6.459 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000053305944 554333180 /nfs/dbraw/zinc/33/31/80/554333180.db2.gz UWIPQGCYRGWLSD-QHCPKHFHSA-N -1 1 534.565 5.634 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000053306636 554334201 /nfs/dbraw/zinc/33/42/01/554334201.db2.gz ZKBUUTKCEJIAQT-HXUWFJFHSA-N -1 1 525.449 6.520 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000053306636 554334208 /nfs/dbraw/zinc/33/42/08/554334208.db2.gz ZKBUUTKCEJIAQT-HXUWFJFHSA-N -1 1 525.449 6.520 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000053306731 554334315 /nfs/dbraw/zinc/33/43/15/554334315.db2.gz IIRDJWGAAQSTPX-LJQANCHMSA-N -1 1 593.069 6.152 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053306656 554334396 /nfs/dbraw/zinc/33/43/96/554334396.db2.gz JENQNAUBTOCBKY-QFIPXVFZSA-N -1 1 553.409 6.380 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306917 554334803 /nfs/dbraw/zinc/33/48/03/554334803.db2.gz DICJVILJXIRMTE-JOCHJYFZSA-N -1 1 535.419 6.240 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000053307021 554334825 /nfs/dbraw/zinc/33/48/25/554334825.db2.gz ZWCUKDWTKZHKFP-SANMLTNESA-N -1 1 558.612 5.566 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000053319107 554335791 /nfs/dbraw/zinc/33/57/91/554335791.db2.gz UVVKOCZHHIHNEV-ZLOXQWCVSA-N -1 1 520.969 6.195 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000053319263 554336975 /nfs/dbraw/zinc/33/69/75/554336975.db2.gz GTMLXPDRDOIMPR-OAQYLSRUSA-N -1 1 539.009 5.548 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000053333097 554339410 /nfs/dbraw/zinc/33/94/10/554339410.db2.gz OLPMHUOXIYCYMM-ADSBAMQRSA-N -1 1 590.657 7.204 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053332845 554339574 /nfs/dbraw/zinc/33/95/74/554339574.db2.gz CTNKZZABOCLISV-KRWDZBQOSA-N -1 1 547.814 5.437 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000053333659 554339882 /nfs/dbraw/zinc/33/98/82/554339882.db2.gz GEMYNIOBWZXKIL-AREMUKBSSA-N -1 1 544.629 6.030 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053333763 554339934 /nfs/dbraw/zinc/33/99/34/554339934.db2.gz VLSDSOWSMUFISA-ACSYHNTCSA-N -1 1 568.695 7.198 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000053335326 554340931 /nfs/dbraw/zinc/34/09/31/554340931.db2.gz LCJYVBRZRSVTIK-DXPJPUQTSA-N -1 1 528.605 6.665 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053335449 554340965 /nfs/dbraw/zinc/34/09/65/554340965.db2.gz FRIAQUHPVYHLTD-QFIPXVFZSA-N -1 1 551.349 5.317 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000053335744 554341016 /nfs/dbraw/zinc/34/10/16/554341016.db2.gz GHNZOHDWWXPRBM-XMMPIXPASA-N -1 1 549.004 5.903 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053335539 554341166 /nfs/dbraw/zinc/34/11/66/554341166.db2.gz DLVMAFDXCCXOJM-MHZLTWQESA-N -1 1 572.639 6.038 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053335539 554341163 /nfs/dbraw/zinc/34/11/63/554341163.db2.gz DLVMAFDXCCXOJM-MHZLTWQESA-N -1 1 572.639 6.038 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000053338199 554342677 /nfs/dbraw/zinc/34/26/77/554342677.db2.gz QNSTYPFZIKYSGC-XMMPIXPASA-N -1 1 527.558 5.722 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053339614 554343570 /nfs/dbraw/zinc/34/35/70/554343570.db2.gz VOHFASKICQLUMV-VWLOTQADSA-N -1 1 528.586 5.558 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053340157 554343906 /nfs/dbraw/zinc/34/39/06/554343906.db2.gz PXYVXUHYEVJBPG-SSOJOUAXSA-N -1 1 558.656 6.024 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053339751 554343974 /nfs/dbraw/zinc/34/39/74/554343974.db2.gz XNIGJGAWZCGMHS-OAQYLSRUSA-N -1 1 539.382 5.989 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053340581 554344133 /nfs/dbraw/zinc/34/41/33/554344133.db2.gz KUFJBIDMYSJUHU-QHCPKHFHSA-N -1 1 531.546 5.395 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053340240 554344322 /nfs/dbraw/zinc/34/43/22/554344322.db2.gz DPGRUJSHXFNNGL-GDLZYMKVSA-N -1 1 584.694 7.036 50 30 KKEAMM CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCCC ZINC000058649696 554364967 /nfs/dbraw/zinc/36/49/67/554364967.db2.gz LRIPXDCMGANCAE-PKTZIBPZSA-N -1 1 567.657 5.268 50 30 in-vitro KKEAMM [O-]c1c(I)cccc1/C=N/c1ccc2nc(-c3cccc(I)c3)oc2c1 ZINC000059523176 554404565 /nfs/dbraw/zinc/40/45/65/554404565.db2.gz QJIDEGKEPWMNCY-FOKLQQMPSA-N -1 1 566.136 6.160 50 30 KKEAMM [O-]c1c(I)cccc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000059525688 554406491 /nfs/dbraw/zinc/40/64/91/554406491.db2.gz YQADGVZALKNDBB-FOKLQQMPSA-N -1 1 566.136 6.160 50 30 KKEAMM CCCCCCCCCCCCCCCc1ccc(O[C@@H](CC)C(=O)NCCCNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000100663489 554439349 /nfs/dbraw/zinc/43/93/49/554439349.db2.gz VQNWYLUDSNPONB-BHVANESWSA-N -1 1 616.887 9.273 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000100675288 554443211 /nfs/dbraw/zinc/44/32/11/554443211.db2.gz ARMMIXVDHHHZHX-DEOSSOPVSA-N -1 1 583.106 6.880 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000100675291 554443221 /nfs/dbraw/zinc/44/32/21/554443221.db2.gz PYGAFUIUNISNHN-MHZLTWQESA-N -1 1 604.769 7.524 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000100674869 554443232 /nfs/dbraw/zinc/44/32/32/554443232.db2.gz LBRVAJWPIMGXTK-XMMPIXPASA-N -1 1 566.651 6.365 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100674845 554443267 /nfs/dbraw/zinc/44/32/67/554443267.db2.gz WKQREQVNUGDQQH-XMMPIXPASA-N -1 1 583.106 6.880 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100675296 554443696 /nfs/dbraw/zinc/44/36/96/554443696.db2.gz MDWLEDUBHLDRBT-HHHXNRCGSA-N -1 1 590.742 7.350 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000100677239 554444219 /nfs/dbraw/zinc/44/42/19/554444219.db2.gz MVAGHKDWIGXSRX-RUZDIDTESA-N -1 1 572.614 6.651 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100677703 554444700 /nfs/dbraw/zinc/44/47/00/554444700.db2.gz LAPDXXYUJNBTIY-JOCHJYFZSA-N -1 1 538.597 5.647 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000100679413 554445315 /nfs/dbraw/zinc/44/53/15/554445315.db2.gz SCNWSOPEVJMPKU-DEOSSOPVSA-N -1 1 610.685 5.616 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000100679379 554445356 /nfs/dbraw/zinc/44/53/56/554445356.db2.gz FJUVDQTVLAARHY-QFIPXVFZSA-N -1 1 599.503 6.353 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000100679858 554445699 /nfs/dbraw/zinc/44/56/99/554445699.db2.gz ZFBGRWMOAONXFM-HSZRJFAPSA-N -1 1 550.633 5.599 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000100679858 554445700 /nfs/dbraw/zinc/44/57/00/554445700.db2.gz ZFBGRWMOAONXFM-HSZRJFAPSA-N -1 1 550.633 5.599 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000100679599 554445705 /nfs/dbraw/zinc/44/57/05/554445705.db2.gz JXDUTKNCZVBARK-QFIPXVFZSA-N -1 1 538.597 5.729 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1 ZINC000100679876 554445717 /nfs/dbraw/zinc/44/57/17/554445717.db2.gz YAVDWDCUYVERTJ-QFIPXVFZSA-N -1 1 538.597 5.729 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000100680060 554445948 /nfs/dbraw/zinc/44/59/48/554445948.db2.gz VFUSHGIYHUWLBV-FQEVSTJZSA-N -1 1 528.428 5.571 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000100679957 554446215 /nfs/dbraw/zinc/44/62/15/554446215.db2.gz BRUPHSIGBGSIMR-QHCPKHFHSA-N -1 1 548.617 5.462 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000100680284 554446335 /nfs/dbraw/zinc/44/63/35/554446335.db2.gz LQDUCKHNDXZFAF-RUZDIDTESA-N -1 1 576.715 6.888 50 30 KKEAMM COc1cc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000100885111 554508350 /nfs/dbraw/zinc/50/83/50/554508350.db2.gz YEBJOIBAVCAUHG-NRFANRHFSA-N -1 1 537.613 5.125 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000101062635 554570621 /nfs/dbraw/zinc/57/06/21/554570621.db2.gz MNRZSZBJIIKHHZ-YDJIHCHBSA-N -1 1 526.343 5.269 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000101062613 554570703 /nfs/dbraw/zinc/57/07/03/554570703.db2.gz GLKMSWGKXIYXCP-IBOXJLQUSA-N -1 1 510.196 5.839 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000101069764 554574120 /nfs/dbraw/zinc/57/41/20/554574120.db2.gz VABWKHBTQRJDEN-LFVOPCPISA-N -1 1 593.069 5.995 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000101069841 554574441 /nfs/dbraw/zinc/57/44/41/554574441.db2.gz IDSJQPIFTYDBNX-YDJIHCHBSA-N -1 1 527.346 5.963 50 30 KKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1 ZINC000101072875 554576512 /nfs/dbraw/zinc/57/65/12/554576512.db2.gz YXCQOMNBWWWNFL-GHNGSUTGSA-N -1 1 515.385 5.886 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072838 554576546 /nfs/dbraw/zinc/57/65/46/554576546.db2.gz LHWNJMXHKUMHSU-WOOAAIBNSA-N -1 1 511.422 6.055 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101656 554638865 /nfs/dbraw/zinc/63/88/65/554638865.db2.gz IJVYASUBARHRRY-ASBZNUFUSA-N -1 1 509.381 5.895 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Br)c1)c1ccccc1 ZINC000101101548 554638882 /nfs/dbraw/zinc/63/88/82/554638882.db2.gz CGLBSFAUMHAGGJ-YDJIHCHBSA-N -1 1 509.356 5.824 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000101276760 554702892 /nfs/dbraw/zinc/70/28/92/554702892.db2.gz CAZODXHWYGAACF-DFXXOVSGSA-N -1 1 594.689 6.616 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccccc2OCC)nc1C ZINC000101276782 554703140 /nfs/dbraw/zinc/70/31/40/554703140.db2.gz CULOYJGCSNIPHX-ZHHPLPSFSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OCC)nc1C ZINC000101276782 554703143 /nfs/dbraw/zinc/70/31/43/554703143.db2.gz CULOYJGCSNIPHX-ZHHPLPSFSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276843 554703600 /nfs/dbraw/zinc/70/36/00/554703600.db2.gz GTFCYJNRTMNFAS-TXTDGAROSA-N -1 1 624.671 5.771 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000101277463 554704000 /nfs/dbraw/zinc/70/40/00/554704000.db2.gz LTVQCKQQTOJEKK-AMKIGSDESA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000101277463 554704001 /nfs/dbraw/zinc/70/40/01/554704001.db2.gz LTVQCKQQTOJEKK-AMKIGSDESA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000101277833 554704131 /nfs/dbraw/zinc/70/41/31/554704131.db2.gz QJBAOUZSMQYXTE-MIOXIQPJSA-N -1 1 608.716 6.870 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000101278099 554704814 /nfs/dbraw/zinc/70/48/14/554704814.db2.gz XDHOZAMELDILEI-AYWGPLOBSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000101278099 554704815 /nfs/dbraw/zinc/70/48/15/554704815.db2.gz XDHOZAMELDILEI-AYWGPLOBSA-N -1 1 548.617 5.136 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000101286456 554705993 /nfs/dbraw/zinc/70/59/93/554705993.db2.gz PHLDVGHSEGDDID-QFIPXVFZSA-N -1 1 548.621 5.188 50 30 KKEAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000101292548 554709170 /nfs/dbraw/zinc/70/91/70/554709170.db2.gz JGWYHGYYMGZMIB-NRFANRHFSA-N -1 1 526.489 6.878 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101294217 554711005 /nfs/dbraw/zinc/71/10/05/554711005.db2.gz GYDKRBGTAFHIRU-JVJOXMINSA-N -1 1 538.625 6.119 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000101299987 554713545 /nfs/dbraw/zinc/71/35/45/554713545.db2.gz RNJUVPRKQGHVQM-ONQGDUAMSA-N -1 1 538.625 6.222 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000101299987 554713546 /nfs/dbraw/zinc/71/35/46/554713546.db2.gz RNJUVPRKQGHVQM-ONQGDUAMSA-N -1 1 538.625 6.222 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000101310245 554717305 /nfs/dbraw/zinc/71/73/05/554717305.db2.gz JOGWWNRRUDBNSK-QNIVJUIWSA-N -1 1 590.654 5.151 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000101310245 554717309 /nfs/dbraw/zinc/71/73/09/554717309.db2.gz JOGWWNRRUDBNSK-QNIVJUIWSA-N -1 1 590.654 5.151 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000101310252 554717346 /nfs/dbraw/zinc/71/73/46/554717346.db2.gz WGMYAUMKMRAHFP-TVXPFAQOSA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000101310252 554717349 /nfs/dbraw/zinc/71/73/49/554717349.db2.gz WGMYAUMKMRAHFP-TVXPFAQOSA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000101310267 554717375 /nfs/dbraw/zinc/71/73/75/554717375.db2.gz UAKRJNWZHAOXPN-PDZZUNKHSA-N -1 1 603.096 6.863 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000101310267 554717378 /nfs/dbraw/zinc/71/73/78/554717378.db2.gz UAKRJNWZHAOXPN-PDZZUNKHSA-N -1 1 603.096 6.863 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000101310251 554717412 /nfs/dbraw/zinc/71/74/12/554717412.db2.gz WGMYAUMKMRAHFP-XVTRYDTASA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000101310251 554717414 /nfs/dbraw/zinc/71/74/14/554717414.db2.gz WGMYAUMKMRAHFP-XVTRYDTASA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101313588 554721818 /nfs/dbraw/zinc/72/18/18/554721818.db2.gz CKKBWKSGKPYKJI-NXLSWJSLSA-N -1 1 500.576 5.951 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101313588 554721821 /nfs/dbraw/zinc/72/18/21/554721821.db2.gz CKKBWKSGKPYKJI-NXLSWJSLSA-N -1 1 500.576 5.951 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101313482 554721871 /nfs/dbraw/zinc/72/18/71/554721871.db2.gz YUKUISDVRABOED-CZNAVJSXSA-N -1 1 526.614 6.058 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313746 554722231 /nfs/dbraw/zinc/72/22/31/554722231.db2.gz DKLQAMORAQPBON-QBTYMPIYSA-N -1 1 554.624 5.819 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313712 554722252 /nfs/dbraw/zinc/72/22/52/554722252.db2.gz ZVSOOXGVXUUVFR-NSOCNUKWSA-N -1 1 538.625 6.119 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313936 554722383 /nfs/dbraw/zinc/72/23/83/554722383.db2.gz VHHRRLUWPCBNDQ-CZNAVJSXSA-N -1 1 540.597 5.567 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000101338196 554734511 /nfs/dbraw/zinc/73/45/11/554734511.db2.gz YYEMOEGOSQKSLT-JOCHJYFZSA-N -1 1 597.049 6.622 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000101353991 554739001 /nfs/dbraw/zinc/73/90/01/554739001.db2.gz OGHXRBKLOUSPDW-ODCWNRFASA-N -1 1 557.584 5.710 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000101974839 554862880 /nfs/dbraw/zinc/86/28/80/554862880.db2.gz QZYYIJGAOVWKKR-VWLOTQADSA-N -1 1 527.602 5.525 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102076560 554874780 /nfs/dbraw/zinc/87/47/80/554874780.db2.gz JMMWTGIGTHZLKX-QBCYBHDASA-N -1 1 568.695 6.979 50 30 KKEAMM N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2NC(=O)c2ccc(C#N)cc2)cc1 ZINC000102229932 554900008 /nfs/dbraw/zinc/90/00/08/554900008.db2.gz QXPQWBQJCJNNAE-UHFFFAOYSA-N -1 1 556.003 5.389 50 30 KKEAMM O=C1c2cc(Br)c3ccccc3c2N/C1=C1/[N-]c2c(c3ccccc3cc2Br)C1=O ZINC000102312501 554909949 /nfs/dbraw/zinc/90/99/49/554909949.db2.gz QUAXLSRAIFPCNN-QURGRASLSA-N -1 1 520.180 6.646 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102483980 554937703 /nfs/dbraw/zinc/93/77/03/554937703.db2.gz LTKTZDSSTCHHLO-CJJGVWJISA-N -1 1 528.630 6.453 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102484691 554938020 /nfs/dbraw/zinc/93/80/20/554938020.db2.gz IICPQWDKFWIODD-LFVOPCPISA-N -1 1 511.353 5.287 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102486056 554938192 /nfs/dbraw/zinc/93/81/92/554938192.db2.gz JWJQISJDCVJMOK-ONQGDUAMSA-N -1 1 582.678 6.314 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102485868 554938234 /nfs/dbraw/zinc/93/82/34/554938234.db2.gz VJHIWKHFLKUEAE-COUQNMRISA-N -1 1 504.564 5.458 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102494413 554940010 /nfs/dbraw/zinc/94/00/10/554940010.db2.gz JLNDGDZSZCFNMI-HOGKFDNTSA-N -1 1 553.409 6.223 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000102497818 554941332 /nfs/dbraw/zinc/94/13/32/554941332.db2.gz XGBMXZZBMBSLDT-CZNAVJSXSA-N -1 1 557.628 5.377 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102502493 554943758 /nfs/dbraw/zinc/94/37/58/554943758.db2.gz BLOZCFPKXTZERA-ZHHPLPSFSA-N -1 1 504.539 5.469 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102507721 554945248 /nfs/dbraw/zinc/94/52/48/554945248.db2.gz SPJOWPMIZQJECS-ZZIWUOEGSA-N -1 1 563.473 6.701 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102509485 554946024 /nfs/dbraw/zinc/94/60/24/554946024.db2.gz VHTQVMOYHPFYMM-GAPOMRBKSA-N -1 1 544.629 5.955 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102515089 554947596 /nfs/dbraw/zinc/94/75/96/554947596.db2.gz QTQLUJUSCMGJTR-NXLSWJSLSA-N -1 1 519.022 6.708 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102515557 554947824 /nfs/dbraw/zinc/94/78/24/554947824.db2.gz GOOCINJRHRLROQ-ZHHPLPSFSA-N -1 1 520.994 5.983 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102518137 554948790 /nfs/dbraw/zinc/94/87/90/554948790.db2.gz OJMOWWZMOLRRJF-IUKMQXEJSA-N -1 1 528.630 6.237 50 30 KKEAMM COc1ccccc1[C@@H]1C(=C([O-])c2ccc(Br)cc2)C(=O)C(=O)N1c1cc(C(C)(C)C)on1 ZINC000102522519 554949926 /nfs/dbraw/zinc/94/99/26/554949926.db2.gz BLFUNBTXMTZTGF-JBCNATCCSA-N -1 1 511.372 5.370 50 30 KKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1c1cc(C(C)(C)C)on1 ZINC000102522519 554949928 /nfs/dbraw/zinc/94/99/28/554949928.db2.gz BLFUNBTXMTZTGF-JBCNATCCSA-N -1 1 511.372 5.370 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102523586 554950167 /nfs/dbraw/zinc/95/01/67/554950167.db2.gz MJDPZKASLFYYPY-NXLSWJSLSA-N -1 1 500.576 5.638 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102525194 554951621 /nfs/dbraw/zinc/95/16/21/554951621.db2.gz PYUNOQFISYRQMI-IUKMQXEJSA-N -1 1 516.594 6.584 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102526385 554952244 /nfs/dbraw/zinc/95/22/44/554952244.db2.gz UFEVMAQHWZNFSE-NXLSWJSLSA-N -1 1 502.567 6.159 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102526385 554952246 /nfs/dbraw/zinc/95/22/46/554952246.db2.gz UFEVMAQHWZNFSE-NXLSWJSLSA-N -1 1 502.567 6.159 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102528015 554952784 /nfs/dbraw/zinc/95/27/84/554952784.db2.gz OKOYKFXVOSPSIW-MOBKVPTQSA-N -1 1 525.413 6.628 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102532734 554954378 /nfs/dbraw/zinc/95/43/78/554954378.db2.gz CTIKGWRTKHUYCT-QKJBWNOYSA-N -1 1 544.629 5.874 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102533556 554954797 /nfs/dbraw/zinc/95/47/97/554954797.db2.gz COAGWBOSTLUZHQ-IUKMQXEJSA-N -1 1 576.627 5.356 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102533556 554954800 /nfs/dbraw/zinc/95/48/00/554954800.db2.gz COAGWBOSTLUZHQ-IUKMQXEJSA-N -1 1 576.627 5.356 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102534259 554955020 /nfs/dbraw/zinc/95/50/20/554955020.db2.gz LDWQDPNADRLBIB-SBXHHDGASA-N -1 1 546.601 5.265 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102544427 554958468 /nfs/dbraw/zinc/95/84/68/554958468.db2.gz BYCWRRVLRIZZRV-CZNAVJSXSA-N -1 1 544.629 5.955 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102544527 554958483 /nfs/dbraw/zinc/95/84/83/554958483.db2.gz LLRCBKKAZMGIJC-XTODBVILSA-N -1 1 565.478 7.170 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102544527 554958485 /nfs/dbraw/zinc/95/84/85/554958485.db2.gz LLRCBKKAZMGIJC-XTODBVILSA-N -1 1 565.478 7.170 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000102545047 554958686 /nfs/dbraw/zinc/95/86/86/554958686.db2.gz FLIHKECCZYLUMX-NHFXJNLRSA-N -1 1 531.175 5.977 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102544540 554958696 /nfs/dbraw/zinc/95/86/96/554958696.db2.gz ZMAUQISYADBSRA-KYWXLPDZSA-N -1 1 547.976 5.808 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102545541 554959042 /nfs/dbraw/zinc/95/90/42/554959042.db2.gz GFEIFUOMKNQPSG-GAPOMRBKSA-N -1 1 544.629 5.874 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102546319 554959465 /nfs/dbraw/zinc/95/94/65/554959465.db2.gz AHXVBZSVSUTKQN-MIOXIQPJSA-N -1 1 576.630 6.795 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102546367 554959505 /nfs/dbraw/zinc/95/95/05/554959505.db2.gz HDYTVSCYVDCQLG-LLRJPKBTSA-N -1 1 598.721 7.050 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102547607 554959984 /nfs/dbraw/zinc/95/99/84/554959984.db2.gz IZPONIVBIWBCRU-CZNAVJSXSA-N -1 1 613.648 6.050 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102549659 554961000 /nfs/dbraw/zinc/96/10/00/554961000.db2.gz HUARNRXXQANURB-GAPOMRBKSA-N -1 1 558.612 5.328 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000102553014 554962846 /nfs/dbraw/zinc/96/28/46/554962846.db2.gz VRAWDZRFMYEJGL-NMBCHZPXSA-N -1 1 602.712 7.442 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102552956 554962883 /nfs/dbraw/zinc/96/28/83/554962883.db2.gz BFAWFCZXXIBMCL-DDLSXHCZSA-N -1 1 598.721 7.070 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102559251 554966460 /nfs/dbraw/zinc/96/64/60/554966460.db2.gz MESFOXYNDGTVDM-NSOCNUKWSA-N -1 1 540.641 6.343 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102559870 554967207 /nfs/dbraw/zinc/96/72/07/554967207.db2.gz QPEWYZOUVUHSST-NXLSWJSLSA-N -1 1 565.003 5.364 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102559832 554967259 /nfs/dbraw/zinc/96/72/59/554967259.db2.gz AUDFNXBJNCCLCH-JVJOXMINSA-N -1 1 554.624 5.680 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102559832 554967262 /nfs/dbraw/zinc/96/72/62/554967262.db2.gz AUDFNXBJNCCLCH-JVJOXMINSA-N -1 1 554.624 5.680 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102562207 554968637 /nfs/dbraw/zinc/96/86/37/554968637.db2.gz HEBCWFCQRZLVNH-DZTJFIFISA-N -1 1 554.668 6.733 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102562472 554968689 /nfs/dbraw/zinc/96/86/89/554968689.db2.gz DPIIJOYCKVMVNF-IUKMQXEJSA-N -1 1 563.031 6.136 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102574586 554971299 /nfs/dbraw/zinc/97/12/99/554971299.db2.gz JNLZAFHFFATULK-GBIFRDBCSA-N -1 1 578.621 7.177 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102574586 554971301 /nfs/dbraw/zinc/97/13/01/554971301.db2.gz JNLZAFHFFATULK-GBIFRDBCSA-N -1 1 578.621 7.177 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102583687 554972768 /nfs/dbraw/zinc/97/27/68/554972768.db2.gz LARFBJZKZVJTET-FSISNWKMSA-N -1 1 516.550 5.394 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102583687 554972773 /nfs/dbraw/zinc/97/27/73/554972773.db2.gz LARFBJZKZVJTET-FSISNWKMSA-N -1 1 516.550 5.394 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102583966 554972800 /nfs/dbraw/zinc/97/28/00/554972800.db2.gz OMZYFVUHTFQBJA-AYWGPLOBSA-N -1 1 596.061 6.020 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)s2)cc1 ZINC000102592387 554974143 /nfs/dbraw/zinc/97/41/43/554974143.db2.gz WISVYORFJZHGNZ-SBXHHDGASA-N -1 1 575.643 5.675 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000102594321 554975383 /nfs/dbraw/zinc/97/53/83/554975383.db2.gz GDQUFWUIGPSXRB-HOGKFDNTSA-N -1 1 517.887 6.002 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102603849 554978162 /nfs/dbraw/zinc/97/81/62/554978162.db2.gz JSYGJJPIIMUTJU-XVTRYDTASA-N -1 1 560.672 6.173 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102606182 554979027 /nfs/dbraw/zinc/97/90/27/554979027.db2.gz KWYMGPGDZMEXFC-AKJBCIBTSA-N -1 1 544.604 6.331 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102606182 554979030 /nfs/dbraw/zinc/97/90/30/554979030.db2.gz KWYMGPGDZMEXFC-AKJBCIBTSA-N -1 1 544.604 6.331 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000102606162 554979054 /nfs/dbraw/zinc/97/90/54/554979054.db2.gz WDEVPHKYIARATE-AREMUKBSSA-N -1 1 557.628 5.534 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102607139 554979849 /nfs/dbraw/zinc/97/98/49/554979849.db2.gz UEVGFXUCYAUHFM-AYWGPLOBSA-N -1 1 579.606 5.506 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102608458 554980517 /nfs/dbraw/zinc/98/05/17/554980517.db2.gz KZGDUITVDOHHDH-NXLSWJSLSA-N -1 1 591.642 5.376 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102610327 554980794 /nfs/dbraw/zinc/98/07/94/554980794.db2.gz VSMFVBKBTCOUAA-SBXHHDGASA-N -1 1 573.652 5.237 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000102614855 554984025 /nfs/dbraw/zinc/98/40/25/554984025.db2.gz BEAOMPVNQLYSQI-IUKMQXEJSA-N -1 1 555.612 5.147 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102615523 554984226 /nfs/dbraw/zinc/98/42/26/554984226.db2.gz SJBARLIUXUSWCH-NXLSVDECSA-N -1 1 616.711 7.209 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102615523 554984230 /nfs/dbraw/zinc/98/42/30/554984230.db2.gz SJBARLIUXUSWCH-NXLSVDECSA-N -1 1 616.711 7.209 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102617425 554984782 /nfs/dbraw/zinc/98/47/82/554984782.db2.gz OCIPVPXTHYZOLQ-DZTJFIFISA-N -1 1 634.751 6.546 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102619770 554986299 /nfs/dbraw/zinc/98/62/99/554986299.db2.gz PYOSDEBBSLPIEU-UUALVTFQSA-N -1 1 615.733 6.407 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)cc3C)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102622253 554987428 /nfs/dbraw/zinc/98/74/28/554987428.db2.gz LOZVACGLHSPDTE-HSZRJFAPSA-N -1 1 567.063 6.328 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102622999 554987702 /nfs/dbraw/zinc/98/77/02/554987702.db2.gz GNWMSTQDUWAUQN-UUALVTFQSA-N -1 1 611.676 6.520 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102624492 554987889 /nfs/dbraw/zinc/98/78/89/554987889.db2.gz OYUVONCGJOAIRR-CZNAVJSXSA-N -1 1 619.696 6.156 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102651343 554995989 /nfs/dbraw/zinc/99/59/89/554995989.db2.gz OHLUARWFYYYBDU-JFTLGNCFSA-N -1 1 556.596 5.041 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102651343 554995990 /nfs/dbraw/zinc/99/59/90/554995990.db2.gz OHLUARWFYYYBDU-JFTLGNCFSA-N -1 1 556.596 5.041 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102651519 554996175 /nfs/dbraw/zinc/99/61/75/554996175.db2.gz PGLWOUMMOXGRTE-LXIOPLLASA-N -1 1 581.477 6.952 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102652277 554996476 /nfs/dbraw/zinc/99/64/76/554996476.db2.gz DTHIODGYPLTDIV-GBIFRDBCSA-N -1 1 600.693 6.442 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102652438 554996549 /nfs/dbraw/zinc/99/65/49/554996549.db2.gz IABWBCMZBFEZJH-VTVSLZSGSA-N -1 1 627.788 7.267 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102652226 554996553 /nfs/dbraw/zinc/99/65/53/554996553.db2.gz IPAUEBUFQPGGIC-XLNMUAQOSA-N -1 1 565.420 6.148 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102652486 554996961 /nfs/dbraw/zinc/99/69/61/554996961.db2.gz SVNNMAXLKBVGHC-NSOCNUKWSA-N -1 1 601.725 7.043 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102652486 554996964 /nfs/dbraw/zinc/99/69/64/554996964.db2.gz SVNNMAXLKBVGHC-NSOCNUKWSA-N -1 1 601.725 7.043 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102653279 554997152 /nfs/dbraw/zinc/99/71/52/554997152.db2.gz UVZJCMZPIMCJNB-WRPQUVRJSA-N -1 1 561.457 6.317 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102655702 554998356 /nfs/dbraw/zinc/99/83/56/554998356.db2.gz ZVQJCOXIKWSBPM-ONQGDUAMSA-N -1 1 614.676 5.769 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102655702 554998359 /nfs/dbraw/zinc/99/83/59/554998359.db2.gz ZVQJCOXIKWSBPM-ONQGDUAMSA-N -1 1 614.676 5.769 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000102655919 554998642 /nfs/dbraw/zinc/99/86/42/554998642.db2.gz ZHRRITAEDLOUBC-SMZGYIOJSA-N -1 1 622.674 6.973 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000102655919 554998643 /nfs/dbraw/zinc/99/86/43/554998643.db2.gz ZHRRITAEDLOUBC-SMZGYIOJSA-N -1 1 622.674 6.973 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102656100 554999080 /nfs/dbraw/zinc/99/90/80/554999080.db2.gz JBXMZPWYVMVXPR-GBIFRDBCSA-N -1 1 602.684 6.963 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102656100 554999083 /nfs/dbraw/zinc/99/90/83/554999083.db2.gz JBXMZPWYVMVXPR-GBIFRDBCSA-N -1 1 602.684 6.963 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102657979 554999588 /nfs/dbraw/zinc/99/95/88/554999588.db2.gz NJBLRTBZKKKBCY-XKNZNLGKSA-N -1 1 570.667 6.434 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102663146 555001085 /nfs/dbraw/zinc/00/10/85/555001085.db2.gz HIIWMOVEWZBIAO-WBMUNJTESA-N -1 1 589.670 5.928 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102663830 555001202 /nfs/dbraw/zinc/00/12/02/555001202.db2.gz LARFBJZKZVJTET-KNZGKXHUSA-N -1 1 516.550 5.394 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102663830 555001203 /nfs/dbraw/zinc/00/12/03/555001203.db2.gz LARFBJZKZVJTET-KNZGKXHUSA-N -1 1 516.550 5.394 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102663314 555001274 /nfs/dbraw/zinc/00/12/74/555001274.db2.gz KAPDSUHUCHCXDB-TVXPFAQOSA-N -1 1 539.613 5.375 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102663314 555001276 /nfs/dbraw/zinc/00/12/76/555001276.db2.gz KAPDSUHUCHCXDB-TVXPFAQOSA-N -1 1 539.613 5.375 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000102665799 555001742 /nfs/dbraw/zinc/00/17/42/555001742.db2.gz OKBVGDJVMRLNSO-DBYMVTKNSA-N -1 1 502.379 5.103 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102673714 555003473 /nfs/dbraw/zinc/00/34/73/555003473.db2.gz JSYGJJPIIMUTJU-AMKIGSDESA-N -1 1 560.672 6.173 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102696871 555011259 /nfs/dbraw/zinc/01/12/59/555011259.db2.gz KQSYXPRPNDZGRI-NXLSWJSLSA-N -1 1 530.602 5.511 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102696155 555011323 /nfs/dbraw/zinc/01/13/23/555011323.db2.gz KULKPSJHOUBNRM-AYWGPLOBSA-N -1 1 516.550 5.411 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102697548 555011865 /nfs/dbraw/zinc/01/18/65/555011865.db2.gz STXHBVRJBCZUJP-NXLSWJSLSA-N -1 1 502.592 6.175 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102697548 555011869 /nfs/dbraw/zinc/01/18/69/555011869.db2.gz STXHBVRJBCZUJP-NXLSWJSLSA-N -1 1 502.592 6.175 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102701780 555013071 /nfs/dbraw/zinc/01/30/71/555013071.db2.gz GJIUGFBHMRLOCA-YDJIHCHBSA-N -1 1 525.449 6.309 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102701642 555013087 /nfs/dbraw/zinc/01/30/87/555013087.db2.gz KYNFAPBUWJPXCB-ZHHPLPSFSA-N -1 1 502.661 6.844 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102702595 555013360 /nfs/dbraw/zinc/01/33/60/555013360.db2.gz WVOGIRCDXKFQRE-NPJIAGGLSA-N -1 1 533.049 6.926 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102702595 555013363 /nfs/dbraw/zinc/01/33/63/555013363.db2.gz WVOGIRCDXKFQRE-NPJIAGGLSA-N -1 1 533.049 6.926 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102715377 555018525 /nfs/dbraw/zinc/01/85/25/555018525.db2.gz MNCYBFSEIRDCCX-NPJIAGGLSA-N -1 1 500.595 6.748 50 30 KKEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000102715429 555018634 /nfs/dbraw/zinc/01/86/34/555018634.db2.gz BVADPLZXZFIZOP-HOGKFDNTSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000102715429 555018637 /nfs/dbraw/zinc/01/86/37/555018637.db2.gz BVADPLZXZFIZOP-HOGKFDNTSA-N -1 1 501.520 5.148 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102717100 555018849 /nfs/dbraw/zinc/01/88/49/555018849.db2.gz UCPJGJNKFWNIKT-SBXHHDGASA-N -1 1 500.620 6.684 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1C ZINC000102722385 555020480 /nfs/dbraw/zinc/02/04/80/555020480.db2.gz BXOUXJGVUYHWIJ-AYWGPLOBSA-N -1 1 549.446 6.311 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102723526 555020719 /nfs/dbraw/zinc/02/07/19/555020719.db2.gz ZHTGBSWJMBNESI-MRJHHRETSA-N -1 1 504.589 5.333 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102731177 555023717 /nfs/dbraw/zinc/02/37/17/555023717.db2.gz RFZCYXWEBPUVJR-NXLSWJSLSA-N -1 1 516.575 5.257 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102735340 555025297 /nfs/dbraw/zinc/02/52/97/555025297.db2.gz CUJXEWPWEASCPK-AYWGPLOBSA-N -1 1 504.995 6.147 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102735340 555025300 /nfs/dbraw/zinc/02/53/00/555025300.db2.gz CUJXEWPWEASCPK-AYWGPLOBSA-N -1 1 504.995 6.147 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102735468 555025607 /nfs/dbraw/zinc/02/56/07/555025607.db2.gz KBNHGJJMAILFAX-RIEKNRFYSA-N -1 1 588.685 7.133 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000102735570 555025798 /nfs/dbraw/zinc/02/57/98/555025798.db2.gz NZKYDUXURDSEDY-BYHJQNISSA-N -1 1 588.685 7.655 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102735541 555025849 /nfs/dbraw/zinc/02/58/49/555025849.db2.gz AKWSCRIRFNPPCA-NNZNMFTDSA-N -1 1 588.685 7.133 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102737003 555026341 /nfs/dbraw/zinc/02/63/41/555026341.db2.gz QLUGADQCJFSLRD-ZTLVYLBESA-N -1 1 541.585 5.771 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102770797 555058102 /nfs/dbraw/zinc/05/81/02/555058102.db2.gz POKKWNQXRAOCJH-WGQAXHKASA-N -1 1 551.451 6.861 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770804 555058242 /nfs/dbraw/zinc/05/82/42/555058242.db2.gz MYNPSRVRPGBLNR-NSUOQXISSA-N -1 1 555.414 6.692 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102771013 555059088 /nfs/dbraw/zinc/05/90/88/555059088.db2.gz VJMSMBROSDCHSE-BBHOXHGRSA-N -1 1 517.006 6.208 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771056 555059485 /nfs/dbraw/zinc/05/94/85/555059485.db2.gz KMCXZOAGTOMQQS-KYWXLPDZSA-N -1 1 537.424 6.553 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000102771182 555059696 /nfs/dbraw/zinc/05/96/96/555059696.db2.gz ZOZYALPVZXONLJ-KWBQTAPJSA-N -1 1 512.587 5.568 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771316 555060041 /nfs/dbraw/zinc/06/00/41/555060041.db2.gz SIHLOBQMBVIWPL-SOIUSXPSSA-N -1 1 576.099 6.434 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC000102771298 555060048 /nfs/dbraw/zinc/06/00/48/555060048.db2.gz BQXRHKGOCCDQNE-OTQMSCLFSA-N -1 1 590.126 6.742 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102858604 555089386 /nfs/dbraw/zinc/08/93/86/555089386.db2.gz QYUMPHVXVQYJHS-KQAPWQHSSA-N -1 1 560.628 5.574 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102859273 555089700 /nfs/dbraw/zinc/08/97/00/555089700.db2.gz LZBGQOWQAMAEGA-UVDRRRQGSA-N -1 1 565.047 6.219 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102859273 555089703 /nfs/dbraw/zinc/08/97/03/555089703.db2.gz LZBGQOWQAMAEGA-UVDRRRQGSA-N -1 1 565.047 6.219 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102859647 555089997 /nfs/dbraw/zinc/08/99/97/555089997.db2.gz QEWZBVJYEAGQHX-SBXHHDGASA-N -1 1 516.575 5.257 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102859638 555090087 /nfs/dbraw/zinc/09/00/87/555090087.db2.gz VIVBKUWHYJSYJJ-AYWGPLOBSA-N -1 1 551.020 5.992 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102860506 555090515 /nfs/dbraw/zinc/09/05/15/555090515.db2.gz GQPQJAPXTCMWFU-JBCNATCCSA-N -1 1 522.598 5.691 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102860506 555090517 /nfs/dbraw/zinc/09/05/17/555090517.db2.gz GQPQJAPXTCMWFU-JBCNATCCSA-N -1 1 522.598 5.691 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102860789 555091286 /nfs/dbraw/zinc/09/12/86/555091286.db2.gz UHPSVPVHAUESMW-ZHHPLPSFSA-N -1 1 531.546 5.238 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2Cl)no1 ZINC000102861515 555091510 /nfs/dbraw/zinc/09/15/10/555091510.db2.gz DMPZVAKZBXTWEW-YDJIHCHBSA-N -1 1 550.236 6.668 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2Cl)no1 ZINC000102861517 555091532 /nfs/dbraw/zinc/09/15/32/555091532.db2.gz DMPZVAKZBXTWEW-NHFXJNLRSA-N -1 1 550.236 6.668 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102862919 555092499 /nfs/dbraw/zinc/09/24/99/555092499.db2.gz WKVMJSURXHXLKT-AYWGPLOBSA-N -1 1 504.558 6.498 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102862919 555092502 /nfs/dbraw/zinc/09/25/02/555092502.db2.gz WKVMJSURXHXLKT-AYWGPLOBSA-N -1 1 504.558 6.498 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102862900 555092565 /nfs/dbraw/zinc/09/25/65/555092565.db2.gz YVVDYSRPFIEOTM-AYWGPLOBSA-N -1 1 549.446 6.392 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102862900 555092567 /nfs/dbraw/zinc/09/25/67/555092567.db2.gz YVVDYSRPFIEOTM-AYWGPLOBSA-N -1 1 549.446 6.392 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102862897 555092600 /nfs/dbraw/zinc/09/26/00/555092600.db2.gz YVVDYSRPFIEOTM-ZHHPLPSFSA-N -1 1 549.446 6.392 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102862897 555092602 /nfs/dbraw/zinc/09/26/02/555092602.db2.gz YVVDYSRPFIEOTM-ZHHPLPSFSA-N -1 1 549.446 6.392 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102864379 555093964 /nfs/dbraw/zinc/09/39/64/555093964.db2.gz HRTORXYUFLOANO-MOBKVPTQSA-N -1 1 551.418 5.702 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(OC)c2OC)cc1Cl ZINC000102866174 555095459 /nfs/dbraw/zinc/09/54/59/555095459.db2.gz DHUNMJDUVGDAGT-NHFXJNLRSA-N -1 1 514.987 5.065 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102866301 555095486 /nfs/dbraw/zinc/09/54/86/555095486.db2.gz RWDZVRALBYPOQJ-HOGKFDNTSA-N -1 1 506.898 5.051 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102866322 555095499 /nfs/dbraw/zinc/09/54/99/555095499.db2.gz VJBHRFFRUDFFDB-GROYHEBESA-N -1 1 503.363 5.171 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000102866297 555095569 /nfs/dbraw/zinc/09/55/69/555095569.db2.gz VCBSJWBDZVGMJI-HOGKFDNTSA-N -1 1 538.597 5.491 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102866809 555096131 /nfs/dbraw/zinc/09/61/31/555096131.db2.gz MBUDKLVJUMSIJL-CZNAVJSXSA-N -1 1 542.613 5.791 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102867208 555096683 /nfs/dbraw/zinc/09/66/83/555096683.db2.gz DDUQNSAIEBCUAE-IUKMQXEJSA-N -1 1 514.603 5.892 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102867956 555097420 /nfs/dbraw/zinc/09/74/20/555097420.db2.gz FQJIQSAXMSOJLR-GMBUILNLSA-N -1 1 533.005 5.908 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102867956 555097423 /nfs/dbraw/zinc/09/74/23/555097423.db2.gz FQJIQSAXMSOJLR-GMBUILNLSA-N -1 1 533.005 5.908 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102869514 555098786 /nfs/dbraw/zinc/09/87/86/555098786.db2.gz VJHROUKXINXEAE-LODGOHBISA-N -1 1 613.761 6.959 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102869375 555098876 /nfs/dbraw/zinc/09/88/76/555098876.db2.gz DIIWPGNAYVFXFS-SASZYUHJSA-N -1 1 554.668 6.652 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000102869848 555099470 /nfs/dbraw/zinc/09/94/70/555099470.db2.gz KJLZSQLRWLCGBZ-FLJNSMSWSA-N -1 1 600.693 6.442 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870702 555100961 /nfs/dbraw/zinc/10/09/61/555100961.db2.gz YEOGAGWOQUCRTC-DNNDWWBDSA-N -1 1 568.695 7.123 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102872741 555103206 /nfs/dbraw/zinc/10/32/06/555103206.db2.gz CGKLBWYMUDFPHU-SELCWUDQSA-N -1 1 500.935 5.047 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102872974 555103450 /nfs/dbraw/zinc/10/34/50/555103450.db2.gz LHAHKLURDVJANK-JBCNATCCSA-N -1 1 521.392 5.694 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102873783 555103975 /nfs/dbraw/zinc/10/39/75/555103975.db2.gz FTBNTIIKMNGNMJ-NXLSWJSLSA-N -1 1 500.595 6.668 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102874635 555104804 /nfs/dbraw/zinc/10/48/04/555104804.db2.gz MMZGIJOLZNTJPU-ZZIWUOEGSA-N -1 1 512.587 5.634 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102876773 555106620 /nfs/dbraw/zinc/10/66/20/555106620.db2.gz LPTNFCINNYWTFO-AYWGPLOBSA-N -1 1 504.995 6.283 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102876773 555106622 /nfs/dbraw/zinc/10/66/22/555106622.db2.gz LPTNFCINNYWTFO-AYWGPLOBSA-N -1 1 504.995 6.283 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102879536 555108677 /nfs/dbraw/zinc/10/86/77/555108677.db2.gz XDJMBOGDZDFYSN-LFVOPCPISA-N -1 1 547.416 5.488 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102883488 555112009 /nfs/dbraw/zinc/11/20/09/555112009.db2.gz SHHLDHWGMTTXOK-IELVGPENSA-N -1 1 542.613 5.577 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102883548 555112096 /nfs/dbraw/zinc/11/20/96/555112096.db2.gz NELUYDHZVSZAKH-XTUFCYCQSA-N -1 1 604.725 6.572 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102883548 555112098 /nfs/dbraw/zinc/11/20/98/555112098.db2.gz NELUYDHZVSZAKH-XTUFCYCQSA-N -1 1 604.725 6.572 50 30 KKEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102883844 555112356 /nfs/dbraw/zinc/11/23/56/555112356.db2.gz NTUXJUUDVICZJN-JRPVAJNPSA-N -1 1 530.577 5.784 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102883844 555112359 /nfs/dbraw/zinc/11/23/59/555112359.db2.gz NTUXJUUDVICZJN-JRPVAJNPSA-N -1 1 530.577 5.784 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102884350 555113160 /nfs/dbraw/zinc/11/31/60/555113160.db2.gz LJGAGEOLJCPNAX-CJJGVWJISA-N -1 1 574.655 5.910 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102884369 555113201 /nfs/dbraw/zinc/11/32/01/555113201.db2.gz DZOLFQSCZGSZRU-ZHHPLPSFSA-N -1 1 534.977 5.356 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102884428 555113451 /nfs/dbraw/zinc/11/34/51/555113451.db2.gz MZDZAEGFFWFTKN-ONQGDUAMSA-N -1 1 556.640 6.216 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000102884513 555113540 /nfs/dbraw/zinc/11/35/40/555113540.db2.gz PTNPNBJDGREFGC-IUKMQXEJSA-N -1 1 590.654 5.371 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102884586 555113889 /nfs/dbraw/zinc/11/38/89/555113889.db2.gz OTYQBVWJKGCCTI-HAQIDCBSSA-N -1 1 530.577 5.784 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102884664 555114203 /nfs/dbraw/zinc/11/42/03/555114203.db2.gz XVHXNBYDRSZXMT-NPJIAGGLSA-N -1 1 560.628 5.574 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102884716 555114252 /nfs/dbraw/zinc/11/42/52/555114252.db2.gz VQPAIFMERJYVAN-IZSGBISHSA-N -1 1 614.720 6.688 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102884716 555114254 /nfs/dbraw/zinc/11/42/54/555114254.db2.gz VQPAIFMERJYVAN-IZSGBISHSA-N -1 1 614.720 6.688 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102884797 555114521 /nfs/dbraw/zinc/11/45/21/555114521.db2.gz RVRONKCYPLHIOQ-IKZPYDRGSA-N -1 1 556.640 5.962 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102885011 555114814 /nfs/dbraw/zinc/11/48/14/555114814.db2.gz ITTVUIGMSANNNE-TVXPFAQOSA-N -1 1 526.614 5.953 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102885042 555115181 /nfs/dbraw/zinc/11/51/81/555115181.db2.gz GTBDSYMWLLANMR-CJJGVWJISA-N -1 1 577.058 6.526 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102885404 555115478 /nfs/dbraw/zinc/11/54/78/555115478.db2.gz IAHZHVVUXNSECS-CGKJMNDRSA-N -1 1 531.033 6.462 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102885278 555115497 /nfs/dbraw/zinc/11/54/97/555115497.db2.gz FIVLAIXJIVHWCR-SBXHHDGASA-N -1 1 549.004 5.746 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102886254 555116599 /nfs/dbraw/zinc/11/65/99/555116599.db2.gz SSSVFQUORNPMHA-CWMDRHISSA-N -1 1 572.639 5.749 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102886333 555116700 /nfs/dbraw/zinc/11/67/00/555116700.db2.gz SNPXSSCYTVELPD-ONQGDUAMSA-N -1 1 591.085 6.916 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102886338 555117024 /nfs/dbraw/zinc/11/70/24/555117024.db2.gz LVUDUIBMLLOXQG-UJWLLDLUSA-N -1 1 570.623 5.431 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102886338 555117026 /nfs/dbraw/zinc/11/70/26/555117026.db2.gz LVUDUIBMLLOXQG-UJWLLDLUSA-N -1 1 570.623 5.431 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102886753 555117351 /nfs/dbraw/zinc/11/73/51/555117351.db2.gz KGCFTELPXKBUHC-VDGASQMCSA-N -1 1 614.720 6.832 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102886833 555117490 /nfs/dbraw/zinc/11/74/90/555117490.db2.gz RIECCSSGYSHMBL-MIOXIQPJSA-N -1 1 616.692 6.136 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102887141 555118204 /nfs/dbraw/zinc/11/82/04/555118204.db2.gz NYLLOEADLPERFC-TVXPFAQOSA-N -1 1 603.697 6.318 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102887081 555118239 /nfs/dbraw/zinc/11/82/39/555118239.db2.gz HTWZZAUQHVPKSQ-QMMFTLRZSA-N -1 1 606.656 6.281 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102887081 555118241 /nfs/dbraw/zinc/11/82/41/555118241.db2.gz HTWZZAUQHVPKSQ-QMMFTLRZSA-N -1 1 606.656 6.281 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccs3)sc2c1 ZINC000102887279 555118505 /nfs/dbraw/zinc/11/85/05/555118505.db2.gz YHCSAOMNLDRWJU-MOBKVPTQSA-N -1 1 520.588 5.154 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102887350 555119170 /nfs/dbraw/zinc/11/91/70/555119170.db2.gz AIDHPMBPRMNHNY-NXLSVDECSA-N -1 1 614.720 6.832 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102887350 555119173 /nfs/dbraw/zinc/11/91/73/555119173.db2.gz AIDHPMBPRMNHNY-NXLSVDECSA-N -1 1 614.720 6.832 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102887690 555119927 /nfs/dbraw/zinc/11/99/27/555119927.db2.gz LSAJQMLXYKRABR-GBIFRDBCSA-N -1 1 619.139 7.477 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102887690 555119929 /nfs/dbraw/zinc/11/99/29/555119929.db2.gz LSAJQMLXYKRABR-GBIFRDBCSA-N -1 1 619.139 7.477 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102888075 555120687 /nfs/dbraw/zinc/12/06/87/555120687.db2.gz RULBUNOIEMKQIE-JRPVAJNPSA-N -1 1 528.586 5.263 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102888148 555120862 /nfs/dbraw/zinc/12/08/62/555120862.db2.gz OWWCEHCYCLULOR-CZNAVJSXSA-N -1 1 598.633 5.215 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102888234 555121209 /nfs/dbraw/zinc/12/12/09/555121209.db2.gz FTRYHJRPKQUPAD-TXTDGAROSA-N -1 1 586.666 6.190 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102888962 555122786 /nfs/dbraw/zinc/12/27/86/555122786.db2.gz KNSUYLYMJSHKMK-BGJULJLKSA-N -1 1 532.618 5.311 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102889125 555123106 /nfs/dbraw/zinc/12/31/06/555123106.db2.gz IOBWTTIGQZPOIW-NPJIAGGLSA-N -1 1 608.669 5.213 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102889277 555123511 /nfs/dbraw/zinc/12/35/11/555123511.db2.gz MHUWGQHKFKZRAO-LXIOPLLASA-N -1 1 563.031 6.004 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102889277 555123515 /nfs/dbraw/zinc/12/35/15/555123515.db2.gz MHUWGQHKFKZRAO-LXIOPLLASA-N -1 1 563.031 6.004 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000102889565 555123769 /nfs/dbraw/zinc/12/37/69/555123769.db2.gz MOEWHYVMYSZBCK-QNIVJUIWSA-N -1 1 592.670 5.375 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102889821 555124426 /nfs/dbraw/zinc/12/44/26/555124426.db2.gz PHRDDWPSSRJDNT-GMBUILNLSA-N -1 1 516.550 5.394 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102889821 555124428 /nfs/dbraw/zinc/12/44/28/555124428.db2.gz PHRDDWPSSRJDNT-GMBUILNLSA-N -1 1 516.550 5.394 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102889902 555124479 /nfs/dbraw/zinc/12/44/79/555124479.db2.gz JDKNVKNBCXBXAQ-MIOXIQPJSA-N -1 1 616.692 6.280 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102889902 555124481 /nfs/dbraw/zinc/12/44/81/555124481.db2.gz JDKNVKNBCXBXAQ-MIOXIQPJSA-N -1 1 616.692 6.280 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102890261 555125271 /nfs/dbraw/zinc/12/52/71/555125271.db2.gz LMFXTJDJEBKINU-LHKMDIPOSA-N -1 1 584.694 6.680 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102890458 555125619 /nfs/dbraw/zinc/12/56/19/555125619.db2.gz UKKOBJPOODBOAY-IZSGBISHSA-N -1 1 633.166 7.867 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102890458 555125620 /nfs/dbraw/zinc/12/56/20/555125620.db2.gz UKKOBJPOODBOAY-IZSGBISHSA-N -1 1 633.166 7.867 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102890807 555126164 /nfs/dbraw/zinc/12/61/64/555126164.db2.gz USCHGNKNXKGUAN-VDGASQMCSA-N -1 1 616.711 7.353 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102890807 555126166 /nfs/dbraw/zinc/12/61/66/555126166.db2.gz USCHGNKNXKGUAN-VDGASQMCSA-N -1 1 616.711 7.353 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102890898 555126491 /nfs/dbraw/zinc/12/64/91/555126491.db2.gz XXAALVHKIUZJNO-SBXHHDGASA-N -1 1 578.643 5.205 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102891992 555128201 /nfs/dbraw/zinc/12/82/01/555128201.db2.gz IVCUMHFCTVAFEW-FSISNWKMSA-N -1 1 533.005 5.908 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000102892279 555128470 /nfs/dbraw/zinc/12/84/70/555128470.db2.gz VJEJGLSBEGLNGA-JBODOUGHSA-N -1 1 593.057 5.925 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000102892397 555128703 /nfs/dbraw/zinc/12/87/03/555128703.db2.gz OEQHJPVULFMRLI-FBBHDAPUSA-N -1 1 621.509 6.340 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102892719 555129009 /nfs/dbraw/zinc/12/90/09/555129009.db2.gz YXHABXSFOQDFLG-KNZGKXHUSA-N -1 1 544.560 5.172 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102892874 555129351 /nfs/dbraw/zinc/12/93/51/555129351.db2.gz VNCGHDCBSOLKHM-QMMFTLRZSA-N -1 1 606.656 6.281 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102892874 555129354 /nfs/dbraw/zinc/12/93/54/555129354.db2.gz VNCGHDCBSOLKHM-QMMFTLRZSA-N -1 1 606.656 6.281 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102893000 555129678 /nfs/dbraw/zinc/12/96/78/555129678.db2.gz YXDGQACNXSIEDZ-LOOKCOSASA-N -1 1 610.688 6.157 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102893000 555129681 /nfs/dbraw/zinc/12/96/81/555129681.db2.gz YXDGQACNXSIEDZ-LOOKCOSASA-N -1 1 610.688 6.157 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102893712 555131284 /nfs/dbraw/zinc/13/12/84/555131284.db2.gz YUCYMIYCGJHQTR-TXTDGAROSA-N -1 1 586.666 6.271 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102893712 555131286 /nfs/dbraw/zinc/13/12/86/555131286.db2.gz YUCYMIYCGJHQTR-TXTDGAROSA-N -1 1 586.666 6.271 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102893710 555131426 /nfs/dbraw/zinc/13/14/26/555131426.db2.gz YUCYMIYCGJHQTR-DFXXOVSGSA-N -1 1 586.666 6.271 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102893710 555131430 /nfs/dbraw/zinc/13/14/30/555131430.db2.gz YUCYMIYCGJHQTR-DFXXOVSGSA-N -1 1 586.666 6.271 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102894490 555132475 /nfs/dbraw/zinc/13/24/75/555132475.db2.gz YIUZNRZUZKVLPF-MIOXIQPJSA-N -1 1 600.693 6.662 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102894490 555132477 /nfs/dbraw/zinc/13/24/77/555132477.db2.gz YIUZNRZUZKVLPF-MIOXIQPJSA-N -1 1 600.693 6.662 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894685 555132805 /nfs/dbraw/zinc/13/28/05/555132805.db2.gz LFAKLNLXGLNMGT-JRPVAJNPSA-N -1 1 547.032 6.298 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894685 555132806 /nfs/dbraw/zinc/13/28/06/555132806.db2.gz LFAKLNLXGLNMGT-JRPVAJNPSA-N -1 1 547.032 6.298 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102894807 555133220 /nfs/dbraw/zinc/13/32/20/555133220.db2.gz FUMLLSFZGQGDBO-WATAJRNESA-N -1 1 612.748 7.440 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102895314 555134133 /nfs/dbraw/zinc/13/41/33/555134133.db2.gz OJPSBTBQVLNYDP-HYVCFMKYSA-N -1 1 584.694 6.742 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccnc2)nc1C ZINC000102895447 555134330 /nfs/dbraw/zinc/13/43/30/555134330.db2.gz JDLZKCFRKQXHFM-NPJIAGGLSA-N -1 1 539.613 5.563 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102895504 555134746 /nfs/dbraw/zinc/13/47/46/555134746.db2.gz OAECDOKJNVCFPT-NPJIAGGLSA-N -1 1 544.585 5.101 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102895504 555134747 /nfs/dbraw/zinc/13/47/47/555134747.db2.gz OAECDOKJNVCFPT-NPJIAGGLSA-N -1 1 544.585 5.101 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000102895975 555135514 /nfs/dbraw/zinc/13/55/14/555135514.db2.gz SJQULERKCMGNBU-QKJBWNOYSA-N -1 1 530.602 5.652 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)sc2c1 ZINC000102896178 555136005 /nfs/dbraw/zinc/13/60/05/555136005.db2.gz UEQOURXJOIBYMO-SBXHHDGASA-N -1 1 532.549 5.232 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102898211 555138226 /nfs/dbraw/zinc/13/82/26/555138226.db2.gz QMUIXTXCYBZYPR-UVDRRRQGSA-N -1 1 563.473 6.619 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102898251 555138477 /nfs/dbraw/zinc/13/84/77/555138477.db2.gz HWYPPSNSBGXLNK-FSISNWKMSA-N -1 1 533.005 5.908 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102899467 555139327 /nfs/dbraw/zinc/13/93/27/555139327.db2.gz SAEVUAAUPQMQLK-YREDKMEYSA-N -1 1 613.761 6.877 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102931330 555158728 /nfs/dbraw/zinc/15/87/28/555158728.db2.gz QXSKHKRNEYATMD-HOGKFDNTSA-N -1 1 535.965 5.883 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C ZINC000102934995 555162300 /nfs/dbraw/zinc/16/23/00/555162300.db2.gz UCJDOAPWAOPEQM-NHFXJNLRSA-N -1 1 571.449 5.334 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000102935203 555162388 /nfs/dbraw/zinc/16/23/88/555162388.db2.gz UHKBEPRQMGRAAM-YDJIHCHBSA-N -1 1 515.791 6.014 50 30 KKEAMM Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1O)C(=CN[C@@H](C)c1ccccc1)C(=O)C(=O)C3C(C)C)C(=CN[C@@H](C)c1ccccc1)C(=O)C(=O)C2C(C)C ZINC000150346942 571460759 /nfs/dbraw/zinc/46/07/59/571460759.db2.gz QZMZXIWBPGRBOD-GDXVNCRLSA-N -1 1 724.898 9.781 50 30 biogenic KKEAMM [O-]c1c(I)cc(Br)cc1/C=N/c1ccc(Cc2ccc(/N=C/c3cc(Br)cc(I)c3O)cc2)cc1 ZINC000150406306 571479641 /nfs/dbraw/zinc/47/96/41/571479641.db2.gz VHFPMVSEDDRLLZ-KBVBXEEASA-N -1 1 816.069 8.924 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150417243 571486219 /nfs/dbraw/zinc/48/62/19/571486219.db2.gz HCAHEUHRPNCUGH-DNNDWWBDSA-N -1 1 643.787 6.886 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150418399 571486534 /nfs/dbraw/zinc/48/65/34/571486534.db2.gz JCTKKPYJMAPTQD-FPRSLYQBSA-N -1 1 647.750 6.717 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000150422320 571488277 /nfs/dbraw/zinc/48/82/77/571488277.db2.gz ZCNQECCZCOAFAV-VEZPTTSMSA-N -1 1 691.803 7.191 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000150422216 571488309 /nfs/dbraw/zinc/48/83/09/571488309.db2.gz VYDIZMCIRGAMGG-VEZPTTSMSA-N -1 1 667.740 6.946 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000150422252 571488330 /nfs/dbraw/zinc/48/83/30/571488330.db2.gz LLZXFOFHTIFZMK-WREUJOMVSA-N -1 1 642.774 7.468 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCCC)c(OC)c2)nc1C ZINC000150432175 571493798 /nfs/dbraw/zinc/49/37/98/571493798.db2.gz GSRAPVXZKJQMRM-GDLZYMKVSA-N -1 1 648.778 7.334 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150432757 571494386 /nfs/dbraw/zinc/49/43/86/571494386.db2.gz WHMAPQRSNPEHTO-SANMLTNESA-N -1 1 638.739 6.252 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000150433074 571494484 /nfs/dbraw/zinc/49/44/84/571494484.db2.gz ZYZIQJPQVZUCFM-QFIPXVFZSA-N -1 1 650.905 6.627 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000150433210 571494560 /nfs/dbraw/zinc/49/45/60/571494560.db2.gz RPRIMFQWZFVAEE-JOCHJYFZSA-N -1 1 616.460 5.974 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000150435042 571495112 /nfs/dbraw/zinc/49/51/12/571495112.db2.gz PIJNDXLDPVPQAH-VEZPTTSMSA-N -1 1 667.740 6.946 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000150435804 571495724 /nfs/dbraw/zinc/49/57/24/571495724.db2.gz CZRCHTXRGJGTMN-DFXXOVSGSA-N -1 1 642.686 5.613 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000150439746 571497515 /nfs/dbraw/zinc/49/75/15/571497515.db2.gz OGQOSLZHSITRKY-SZYGQJGOSA-N -1 1 693.803 7.206 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445783 571500667 /nfs/dbraw/zinc/50/06/67/571500667.db2.gz JETAQCNSEVDWLS-DNNDWWBDSA-N -1 1 662.233 7.858 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150445718 571500769 /nfs/dbraw/zinc/50/07/69/571500769.db2.gz QXFMDUZJAZNDKG-WYNCGZBVSA-N -1 1 631.751 7.098 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445866 571500929 /nfs/dbraw/zinc/50/09/29/571500929.db2.gz OFGLHEMHLKWAMY-JVJOXMINSA-N -1 1 632.163 6.998 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150457677 571504925 /nfs/dbraw/zinc/50/49/25/571504925.db2.gz HIBLOLNHIVPKHV-XTUFCYCQSA-N -1 1 682.651 8.266 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000150457793 571505027 /nfs/dbraw/zinc/50/50/27/571505027.db2.gz BQOSLCLEHXRQHI-WGGXKBPPSA-N -1 1 635.138 7.315 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457828 571505230 /nfs/dbraw/zinc/50/52/30/571505230.db2.gz NGDBHKLVKGCDLV-HWTUVFLMSA-N -1 1 678.232 7.621 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457973 571505353 /nfs/dbraw/zinc/50/53/53/571505353.db2.gz LCLFXFGTOJEZFG-VXJPNWOUSA-N -1 1 643.787 6.968 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150459191 571505694 /nfs/dbraw/zinc/50/56/94/571505694.db2.gz DKYTYDLUXGBXFD-NBXYUPGTSA-N -1 1 665.768 7.498 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150460267 571505934 /nfs/dbraw/zinc/50/59/34/571505934.db2.gz JIBTYEHTTBGWEJ-QBCYBHDASA-N -1 1 646.762 6.568 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150460267 571505936 /nfs/dbraw/zinc/50/59/36/571505936.db2.gz JIBTYEHTTBGWEJ-QBCYBHDASA-N -1 1 646.762 6.568 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150461172 571506372 /nfs/dbraw/zinc/50/63/72/571506372.db2.gz MCJRIDKPEDKFFD-LHKMDIPOSA-N -1 1 696.678 8.656 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463167 571507075 /nfs/dbraw/zinc/50/70/75/571507075.db2.gz IDKBOMZMDYJKGY-QJGFIUGVSA-N -1 1 662.233 7.858 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463440 571507182 /nfs/dbraw/zinc/50/71/82/571507182.db2.gz GWEAJFAZYLBVED-RVKWYQKSSA-N -1 1 663.821 8.112 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150463521 571507234 /nfs/dbraw/zinc/50/72/34/571507234.db2.gz KLHFHAIGLXADFB-VXJPNWOUSA-N -1 1 645.778 7.344 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463442 571507255 /nfs/dbraw/zinc/50/72/55/571507255.db2.gz GWEAJFAZYLBVED-RDGASKBCSA-N -1 1 663.821 8.112 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150463403 571507309 /nfs/dbraw/zinc/50/73/09/571507309.db2.gz NAZIKHTWASDAMV-ZCCBWQDPSA-N -1 1 685.868 8.056 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150464011 571507686 /nfs/dbraw/zinc/50/76/86/571507686.db2.gz DXVHJJDRGKOWGR-MEDZALOKSA-N -1 1 623.481 5.731 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150469610 571508884 /nfs/dbraw/zinc/50/88/84/571508884.db2.gz ZOWUBCWHELYFQW-OFNYXUPYSA-N -1 1 652.625 8.210 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150469610 571508885 /nfs/dbraw/zinc/50/88/85/571508885.db2.gz ZOWUBCWHELYFQW-OFNYXUPYSA-N -1 1 652.625 8.210 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150470496 571509342 /nfs/dbraw/zinc/50/93/42/571509342.db2.gz SHOWNIFECWAEIA-TXTDGAROSA-N -1 1 664.205 7.450 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150470496 571509344 /nfs/dbraw/zinc/50/93/44/571509344.db2.gz SHOWNIFECWAEIA-TXTDGAROSA-N -1 1 664.205 7.450 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150471591 571509629 /nfs/dbraw/zinc/50/96/29/571509629.db2.gz NKLITVLXWCXDHB-HWTUVFLMSA-N -1 1 678.232 7.621 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150471589 571509741 /nfs/dbraw/zinc/50/97/41/571509741.db2.gz NKLITVLXWCXDHB-QMDVFYPZSA-N -1 1 678.232 7.621 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150484758 571515326 /nfs/dbraw/zinc/51/53/26/571515326.db2.gz PDEIGHZULVIIMG-MIOXIQPJSA-N -1 1 659.786 6.724 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150486369 571516431 /nfs/dbraw/zinc/51/64/31/571516431.db2.gz WGGTVAGDGFMINY-VDGASQMCSA-N -1 1 726.704 8.665 50 30 KKEAMM CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=Nc1cccc(Cl)c1)C4=O)C2=O ZINC000245226476 572203971 /nfs/dbraw/zinc/20/39/71/572203971.db2.gz YYOPFXIZVRDTNC-QHWMJAGHSA-N -1 1 821.320 5.724 50 30 KKEAMM COCCN1C(=O)/C(=C\c2cc(OC)c([O-])c(Br)c2Br)SC1=Nc1ccccc1 ZINC000252598448 572267170 /nfs/dbraw/zinc/26/71/70/572267170.db2.gz DAURPCBZQSQTMW-OARFDWRSSA-N -1 1 542.249 5.176 50 30 KKEAMM Cc1cc(C)n(-c2nc(=NN=Cc3cc(Br)cc([N+](=O)[O-])c3[O-])nc(Nc3ccc(Br)cc3)[nH]2)n1 ZINC000252635039 572271763 /nfs/dbraw/zinc/27/17/63/572271763.db2.gz WTUGHCGIIXYSAD-UHFFFAOYSA-N -1 1 603.235 5.003 50 30 KKEAMM CCN(CC)c1nc(N=NCc2cc(I)cc(I)c2[O-])nc(Nc2cc(C)ccc2C)n1 ZINC000252642056 572272411 /nfs/dbraw/zinc/27/24/11/572272411.db2.gz ZJGYBUBWQDOIGM-UHFFFAOYSA-N -1 1 657.298 5.439 50 30 KKEAMM CC(=O)[C@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000101405200 1069793834 /nfs/dbraw/zinc/79/38/34/1069793834.db2.gz HOYYOPVQECUWBL-QXIMTPKDSA-N -1 1 506.312 5.336 50 30 KKEAMM Cc1ccc(Sc2ccc(/C=C\C(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)cc2[N+](=O)[O-])cc1 ZINC000102970280 1071055001 /nfs/dbraw/zinc/05/50/01/1071055001.db2.gz GABVIRQCRAFVGR-IDUWFGFVSA-N -1 1 544.654 7.060 50 30 KKEAMM Cc1ccc([N-]S(=O)(=O)c2ccc(N=NC3C[C@H](c4ccccc4)Oc4ccccc43)c([N+](=O)[O-])c2)c(C)c1 ZINC000254836750 1072883356 /nfs/dbraw/zinc/88/33/56/1072883356.db2.gz MTOPAWNDVPUHMM-GDLZYMKVSA-N -1 1 542.617 6.352 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000000631098 551505021 /nfs/dbraw/zinc/50/50/21/551505021.db2.gz DBZFYQVBOOYEKY-JOCHJYFZSA-N -1 1 520.607 5.427 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000000631098 551505022 /nfs/dbraw/zinc/50/50/22/551505022.db2.gz DBZFYQVBOOYEKY-JOCHJYFZSA-N -1 1 520.607 5.427 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000000631140 551505033 /nfs/dbraw/zinc/50/50/33/551505033.db2.gz BAJJUBNZLDBFLH-IBGZPJMESA-N -1 1 512.971 5.073 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000000631202 551505102 /nfs/dbraw/zinc/50/51/02/551505102.db2.gz OZHSRUUCOUHZSO-LJQANCHMSA-N -1 1 541.423 5.482 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000000702933 551529878 /nfs/dbraw/zinc/52/98/78/551529878.db2.gz VXLQDMURVMMGME-FQEVSTJZSA-N -1 1 537.391 5.946 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000000703134 551530788 /nfs/dbraw/zinc/53/07/88/551530788.db2.gz GFKZPNOOJOEKCJ-VWLOTQADSA-N -1 1 510.571 6.533 50 30 KKEAMM CC1=C(C(=O)OC(C)C)[C@H](c2cc(Br)cc(Br)c2[O-])C2=C(CC(C)(C)CC2=O)N1 ZINC000000825848 551544912 /nfs/dbraw/zinc/54/49/12/551544912.db2.gz IRAWZXNAJKVOTF-SFHVURJKSA-N -1 1 527.253 5.473 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000000959794 551590108 /nfs/dbraw/zinc/59/01/08/551590108.db2.gz ZWTKZYFDOZEYQP-FQEVSTJZSA-N -1 1 506.559 5.722 50 30 KKEAMM COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001321714 551641816 /nfs/dbraw/zinc/64/18/16/551641816.db2.gz KDEJRUYPPHGUQM-UVDDSOTQSA-N -1 1 554.599 5.247 50 30 biogenic KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1OC ZINC000001413403 551665446 /nfs/dbraw/zinc/66/54/46/551665446.db2.gz OTWUBZZULRYWKJ-JOCHJYFZSA-N -1 1 506.967 5.750 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1OC ZINC000001413403 551665449 /nfs/dbraw/zinc/66/54/49/551665449.db2.gz OTWUBZZULRYWKJ-JOCHJYFZSA-N -1 1 506.967 5.750 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000001449133 551674580 /nfs/dbraw/zinc/67/45/80/551674580.db2.gz HTEJIGXICJCHCW-RUZDIDTESA-N -1 1 530.602 5.885 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000001449133 551674582 /nfs/dbraw/zinc/67/45/82/551674582.db2.gz HTEJIGXICJCHCW-RUZDIDTESA-N -1 1 530.602 5.885 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000001450342 551675147 /nfs/dbraw/zinc/67/51/47/551675147.db2.gz FBHAFASLLPZZCC-VWLOTQADSA-N -1 1 530.602 5.804 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000001450357 551675158 /nfs/dbraw/zinc/67/51/58/551675158.db2.gz MSFPJXKBLHUPFZ-XMMPIXPASA-N -1 1 530.602 5.722 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000001450604 551675616 /nfs/dbraw/zinc/67/56/16/551675616.db2.gz PYIIPDYLNWEYOD-FQEVSTJZSA-N -1 1 509.381 5.997 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001450364 551675668 /nfs/dbraw/zinc/67/56/68/551675668.db2.gz NUQVUXMVTIIUQS-VWLOTQADSA-N -1 1 546.601 5.422 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451426 551676037 /nfs/dbraw/zinc/67/60/37/551676037.db2.gz FLPKYQQEWGMLNH-DEOSSOPVSA-N -1 1 530.602 5.667 50 30 KKEAMM COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457408 551677027 /nfs/dbraw/zinc/67/70/27/551677027.db2.gz PQRIYVITRYNSCS-UKPGIYTDSA-N -1 1 526.589 5.469 50 30 KKEAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccs2)cc1 ZINC000001457555 551677088 /nfs/dbraw/zinc/67/70/88/551677088.db2.gz MLQHAYFWNWAGKS-XBBWARJSSA-N -1 1 516.619 5.831 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000001474123 551680680 /nfs/dbraw/zinc/68/06/80/551680680.db2.gz QDKWGNWYSOVRKN-OAQYLSRUSA-N -1 1 506.580 5.037 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000001474122 551680740 /nfs/dbraw/zinc/68/07/40/551680740.db2.gz QDKWGNWYSOVRKN-NRFANRHFSA-N -1 1 506.580 5.037 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000001480166 551681449 /nfs/dbraw/zinc/68/14/49/551681449.db2.gz ZHJBYYWQNTUAPA-IBGZPJMESA-N -1 1 527.421 5.912 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001479970 551681540 /nfs/dbraw/zinc/68/15/40/551681540.db2.gz PHVBIUCKTWKAFW-HSZRJFAPSA-N -1 1 534.590 5.623 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001479970 551681542 /nfs/dbraw/zinc/68/15/42/551681542.db2.gz PHVBIUCKTWKAFW-HSZRJFAPSA-N -1 1 534.590 5.623 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480815 551681841 /nfs/dbraw/zinc/68/18/41/551681841.db2.gz XXEQBXABASDEGK-HSZRJFAPSA-N -1 1 550.564 5.253 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001480649 551681912 /nfs/dbraw/zinc/68/19/12/551681912.db2.gz UPOMRMXERLLORY-DEOSSOPVSA-N -1 1 530.602 5.722 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480850 551682366 /nfs/dbraw/zinc/68/23/66/551682366.db2.gz QBIDJEZRVNWVCS-DEOSSOPVSA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480850 551682369 /nfs/dbraw/zinc/68/23/69/551682369.db2.gz QBIDJEZRVNWVCS-DEOSSOPVSA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001482267 551682594 /nfs/dbraw/zinc/68/25/94/551682594.db2.gz HIMSTRUEUSMNJW-VWLOTQADSA-N -1 1 560.628 5.812 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001482271 551682674 /nfs/dbraw/zinc/68/26/74/551682674.db2.gz KQRBFQFXLVSKEA-DEOSSOPVSA-N -1 1 530.602 5.804 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000001752997 551693612 /nfs/dbraw/zinc/69/36/12/551693612.db2.gz WUUYWHBJBCXJEU-FQEVSTJZSA-N -1 1 560.242 6.280 50 30 KKEAMM CCCCCCCCn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1[O-] ZINC000001835305 551712059 /nfs/dbraw/zinc/71/20/59/551712059.db2.gz VXTKEQBTDANPLG-UHFFFAOYSA-N -1 1 509.286 7.240 50 30 KKEAMM Cc1ccccc1NC(=O)c1c(C)nc(SCC(=O)c2ccc([O-])c(O)c2)c(C#N)c1-c1cccnc1 ZINC000002064196 551744904 /nfs/dbraw/zinc/74/49/04/551744904.db2.gz QTCCGPNAVXDSJK-UHFFFAOYSA-N -1 1 510.575 5.271 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451442 552077963 /nfs/dbraw/zinc/07/79/63/552077963.db2.gz XWQPUJVNDOLOPZ-VWLOTQADSA-N -1 1 560.628 5.676 50 30 KKEAMM 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/nfs/dbraw/zinc/19/80/63/553198063.db2.gz CFIKBMQEVMCVOD-QFIPXVFZSA-N -1 1 502.548 5.105 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000009007494 553198147 /nfs/dbraw/zinc/19/81/47/553198147.db2.gz BLLCAAKLPJPAKS-QFIPXVFZSA-N -1 1 508.958 6.270 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000009008369 553198814 /nfs/dbraw/zinc/19/88/14/553198814.db2.gz BXKFLBSWURFIJO-HSZRJFAPSA-N -1 1 508.596 5.349 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009015304 553200416 /nfs/dbraw/zinc/20/04/16/553200416.db2.gz DUMVRSVDMMBZJO-VWLOTQADSA-N -1 1 512.587 5.721 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009045209 553203272 /nfs/dbraw/zinc/20/32/72/553203272.db2.gz WXZIEGGHBOGRIU-OAQYLSRUSA-N -1 1 522.598 5.848 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009045209 553203274 /nfs/dbraw/zinc/20/32/74/553203274.db2.gz WXZIEGGHBOGRIU-OAQYLSRUSA-N -1 1 522.598 5.848 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000009045259 553203336 /nfs/dbraw/zinc/20/33/36/553203336.db2.gz KJRFSMYJLJNUJM-KRWDZBQOSA-N -1 1 503.363 5.328 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009046523 553204015 /nfs/dbraw/zinc/20/40/15/553204015.db2.gz ULLRWUDIIJGLBZ-QHCPKHFHSA-N -1 1 504.539 5.626 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000009046670 553204296 /nfs/dbraw/zinc/20/42/96/553204296.db2.gz GTWXQOQQJNXUCN-HXUWFJFHSA-N -1 1 509.381 6.052 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000009046807 553204325 /nfs/dbraw/zinc/20/43/25/553204325.db2.gz MSOXDUTYDXVVOT-GOSISDBHSA-N -1 1 500.935 5.204 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(Cl)c3)[C@@H]2c2ccccc2)nc1C ZINC000009071857 553207098 /nfs/dbraw/zinc/20/70/98/553207098.db2.gz MQJKPTWKTSRCRV-IBGZPJMESA-N -1 1 512.971 5.073 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009085901 553208083 /nfs/dbraw/zinc/20/80/83/553208083.db2.gz UFCVTXCEJFEMJV-JOCHJYFZSA-N -1 1 506.352 5.409 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009085901 553208086 /nfs/dbraw/zinc/20/80/86/553208086.db2.gz UFCVTXCEJFEMJV-JOCHJYFZSA-N -1 1 506.352 5.409 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009122861 553212122 /nfs/dbraw/zinc/21/21/22/553212122.db2.gz TVVKJSGPONRBEQ-HSZRJFAPSA-N -1 1 504.995 6.358 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009123685 553212527 /nfs/dbraw/zinc/21/25/27/553212527.db2.gz WXZIEGGHBOGRIU-NRFANRHFSA-N -1 1 522.598 5.848 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009123685 553212528 /nfs/dbraw/zinc/21/25/28/553212528.db2.gz WXZIEGGHBOGRIU-NRFANRHFSA-N -1 1 522.598 5.848 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(O)c2)s1 ZINC000009123949 553212559 /nfs/dbraw/zinc/21/25/59/553212559.db2.gz JEKRKRORVXBNSB-XMMPIXPASA-N -1 1 513.575 5.222 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009124402 553212922 /nfs/dbraw/zinc/21/29/22/553212922.db2.gz NCJOJARWCHXDDD-BSEYFRJRSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009124402 553212923 /nfs/dbraw/zinc/21/29/23/553212923.db2.gz NCJOJARWCHXDDD-BSEYFRJRSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009175902 553216187 /nfs/dbraw/zinc/21/61/87/553216187.db2.gz IMBUGKNWDUTYKL-OAQYLSRUSA-N -1 1 505.483 5.135 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000009185738 553217351 /nfs/dbraw/zinc/21/73/51/553217351.db2.gz NLCVIKLSWYQEMI-XMMPIXPASA-N -1 1 519.022 6.694 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000009185738 553217354 /nfs/dbraw/zinc/21/73/54/553217354.db2.gz NLCVIKLSWYQEMI-XMMPIXPASA-N -1 1 519.022 6.694 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009185694 553217425 /nfs/dbraw/zinc/21/74/25/553217425.db2.gz UCBWVWKBSFADOJ-VWLOTQADSA-N -1 1 514.622 7.078 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000009186693 553217640 /nfs/dbraw/zinc/21/76/40/553217640.db2.gz LPBRTDXWVWMSDL-NRFANRHFSA-N -1 1 508.502 5.375 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000009186636 553217697 /nfs/dbraw/zinc/21/76/97/553217697.db2.gz LJFWCZFZYKLTAS-QHCPKHFHSA-N -1 1 504.564 5.615 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000009186636 553217699 /nfs/dbraw/zinc/21/76/99/553217699.db2.gz LJFWCZFZYKLTAS-QHCPKHFHSA-N -1 1 504.564 5.615 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccnc2)cc1 ZINC000009192934 553218970 /nfs/dbraw/zinc/21/89/70/553218970.db2.gz WPCTYBLOLQIKOC-NRFANRHFSA-N -1 1 500.605 5.317 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2F)cc1 ZINC000009233245 553224222 /nfs/dbraw/zinc/22/42/22/553224222.db2.gz YPBSFVLXOAKXBR-DEOSSOPVSA-N -1 1 502.567 6.234 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009240172 553226068 /nfs/dbraw/zinc/22/60/68/553226068.db2.gz VEFVYKHFALPGBG-DEOSSOPVSA-N -1 1 516.575 5.413 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1cccnc1)c1ccccc1 ZINC000009243814 553227021 /nfs/dbraw/zinc/22/70/21/553227021.db2.gz PXUUPWJANFPSLX-FQEVSTJZSA-N -1 1 504.568 5.147 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009244317 553227091 /nfs/dbraw/zinc/22/70/91/553227091.db2.gz KMDGGLDZOZWADX-RUZDIDTESA-N -1 1 514.603 6.049 50 30 KKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000009271250 553230646 /nfs/dbraw/zinc/23/06/46/553230646.db2.gz CZIASHKWKAHJJA-HSZRJFAPSA-N -1 1 504.995 6.358 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009271454 553231034 /nfs/dbraw/zinc/23/10/34/553231034.db2.gz SONZRYPHLNXFCZ-HSZRJFAPSA-N -1 1 516.550 5.622 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009271454 553231035 /nfs/dbraw/zinc/23/10/35/553231035.db2.gz SONZRYPHLNXFCZ-HSZRJFAPSA-N -1 1 516.550 5.622 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000009275211 553232773 /nfs/dbraw/zinc/23/27/73/553232773.db2.gz KJUCAXQWXAIMBW-IBGZPJMESA-N -1 1 511.353 5.443 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000009275782 553232794 /nfs/dbraw/zinc/23/27/94/553232794.db2.gz IUJMTRCEGZFAOL-RUZDIDTESA-N -1 1 516.594 6.740 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009292222 553234848 /nfs/dbraw/zinc/23/48/48/553234848.db2.gz IXMSPMNVOYHCLU-IZHWHUGBSA-N -1 1 516.619 5.884 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009292527 553235102 /nfs/dbraw/zinc/23/51/02/553235102.db2.gz ADUXSDFHCMJVAK-OWJWWREXSA-N -1 1 517.006 6.364 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009320604 553241536 /nfs/dbraw/zinc/24/15/36/553241536.db2.gz QUWMGZQZBWJWNL-BSEYFRJRSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009320604 553241538 /nfs/dbraw/zinc/24/15/38/553241538.db2.gz QUWMGZQZBWJWNL-BSEYFRJRSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009320603 553241569 /nfs/dbraw/zinc/24/15/69/553241569.db2.gz QUWMGZQZBWJWNL-SHACYNPGSA-N -1 1 516.550 5.550 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009320603 553241572 /nfs/dbraw/zinc/24/15/72/553241572.db2.gz QUWMGZQZBWJWNL-SHACYNPGSA-N -1 1 516.550 5.550 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000009353605 553245578 /nfs/dbraw/zinc/24/55/78/553245578.db2.gz OPRBUZSDBFDUJD-DEOSSOPVSA-N -1 1 500.576 5.795 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000009358001 553247215 /nfs/dbraw/zinc/24/72/15/553247215.db2.gz VZUNBCUNPLCRAE-KRWDZBQOSA-N -1 1 503.363 5.328 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009357817 553247259 /nfs/dbraw/zinc/24/72/59/553247259.db2.gz PIQUVSOCKJPPCR-QHCPKHFHSA-N -1 1 513.468 5.514 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccncc2)o1 ZINC000009358463 553247463 /nfs/dbraw/zinc/24/74/63/553247463.db2.gz MTPRQYFSAUNLFQ-HXUWFJFHSA-N -1 1 504.593 5.218 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccncc2)o1 ZINC000009358467 553247580 /nfs/dbraw/zinc/24/75/80/553247580.db2.gz MTPRQYFSAUNLFQ-FQEVSTJZSA-N -1 1 504.593 5.218 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000009370594 553250078 /nfs/dbraw/zinc/25/00/78/553250078.db2.gz VUUPIFWUJVYFIC-FQEVSTJZSA-N -1 1 509.356 5.981 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000009374777 553250922 /nfs/dbraw/zinc/25/09/22/553250922.db2.gz DHHOLAKJHAMZFD-LMKMVOKYSA-N -1 1 514.578 6.159 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009375232 553251169 /nfs/dbraw/zinc/25/11/69/553251169.db2.gz FMCAHRZBVSLDDY-HSZRJFAPSA-N -1 1 504.564 5.778 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3)ccc2O1 ZINC000009414119 553258128 /nfs/dbraw/zinc/25/81/28/553258128.db2.gz ASLVZURQKFEGQK-LFVRLGFBSA-N -1 1 502.979 6.056 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3)ccc2O1 ZINC000009414119 553258130 /nfs/dbraw/zinc/25/81/30/553258130.db2.gz ASLVZURQKFEGQK-LFVRLGFBSA-N -1 1 502.979 6.056 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009424031 553258290 /nfs/dbraw/zinc/25/82/90/553258290.db2.gz GXMFFIMINLHFOU-QFIPXVFZSA-N -1 1 504.951 5.504 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000009459771 553266729 /nfs/dbraw/zinc/26/67/29/553266729.db2.gz WAWQAUIJEUSICR-HXUWFJFHSA-N -1 1 510.980 5.565 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000009461107 553267312 /nfs/dbraw/zinc/26/73/12/553267312.db2.gz ZRTMNKUCVAVMFN-XMMPIXPASA-N -1 1 517.006 6.467 50 30 KKEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000009461137 553267384 /nfs/dbraw/zinc/26/73/84/553267384.db2.gz MBTGKXNYDGMYIW-JOCHJYFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000009461137 553267387 /nfs/dbraw/zinc/26/73/87/553267387.db2.gz MBTGKXNYDGMYIW-JOCHJYFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)c1 ZINC000009461259 553267606 /nfs/dbraw/zinc/26/76/06/553267606.db2.gz QANLBLQGXKTKIV-HSZRJFAPSA-N -1 1 516.575 5.413 50 30 KKEAMM COc1ccc(OC)c([C@@H]2c3c(=O)[n-]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009608832 553287751 /nfs/dbraw/zinc/28/77/51/553287751.db2.gz UZDXLGXFIMXVNQ-QHCPKHFHSA-N -1 1 517.651 5.588 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000013552744 553470922 /nfs/dbraw/zinc/47/09/22/553470922.db2.gz RXTPMPGAMCKMKM-QHCPKHFHSA-N -1 1 518.566 5.798 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000013552744 553470924 /nfs/dbraw/zinc/47/09/24/553470924.db2.gz RXTPMPGAMCKMKM-QHCPKHFHSA-N -1 1 518.566 5.798 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732198 553577475 /nfs/dbraw/zinc/57/74/75/553577475.db2.gz TWEUBJAMCDYOIC-JOCHJYFZSA-N -1 1 506.580 5.234 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732198 553577478 /nfs/dbraw/zinc/57/74/78/553577478.db2.gz TWEUBJAMCDYOIC-JOCHJYFZSA-N -1 1 506.580 5.234 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000016753393 553580898 /nfs/dbraw/zinc/58/08/98/553580898.db2.gz ZQJGTTAANTVJTR-QHCPKHFHSA-N -1 1 520.632 6.328 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000016753393 553580899 /nfs/dbraw/zinc/58/08/99/553580899.db2.gz ZQJGTTAANTVJTR-QHCPKHFHSA-N -1 1 520.632 6.328 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(F)c2)nc1C ZINC000016805469 553582876 /nfs/dbraw/zinc/58/28/76/553582876.db2.gz YHERJSRYHOWWCJ-FQEVSTJZSA-N -1 1 510.518 5.164 50 30 KKEAMM O=C1CCCC2=C1[C@@H](c1cccc(Br)c1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000017177772 553589838 /nfs/dbraw/zinc/58/98/38/553589838.db2.gz KHTDXQUKGHSXRB-LJQANCHMSA-N -1 1 512.404 5.941 50 30 KKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017242301 553590886 /nfs/dbraw/zinc/59/08/86/553590886.db2.gz QXZKXWGZLWRWCS-OAQYLSRUSA-N -1 1 518.595 5.592 50 30 KKEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4cccc([N+](=O)[O-])c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000020133653 553592215 /nfs/dbraw/zinc/59/22/15/553592215.db2.gz ZMMMMBBWOYVPTB-OAQYLSRUSA-N -1 1 518.595 5.592 50 30 KKEAMM COc1ccccc1[C@H]1c2c(=O)[n-]c(SCc3ccc(C)cc3C)nc2NC2=C1C(=O)CC(C)(C)C2 ZINC000020134290 553592629 /nfs/dbraw/zinc/59/26/29/553592629.db2.gz BZBCUCFFWSLWTI-HSZRJFAPSA-N -1 1 501.652 5.888 50 30 KKEAMM CCOc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017307575 553593115 /nfs/dbraw/zinc/59/31/15/553593115.db2.gz BIIXQJPYWPKPMM-JOCHJYFZSA-N -1 1 505.615 6.213 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1OC ZINC000018117643 553605020 /nfs/dbraw/zinc/60/50/20/553605020.db2.gz AESVAWGOAHQLGM-JOCHJYFZSA-N -1 1 541.398 5.535 50 30 KKEAMM O=S(=O)([N-]c1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095704659 553709389 /nfs/dbraw/zinc/70/93/89/553709389.db2.gz VNESZGJNIAHBGB-UHFFFAOYSA-N -1 1 597.377 8.355 50 30 KKEAMM O=S(=O)([N-]c1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000095742567 553712173 /nfs/dbraw/zinc/71/21/73/553712173.db2.gz VHDAGWAFRZIVGX-UHFFFAOYSA-N -1 1 592.461 6.345 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097939530 553759691 /nfs/dbraw/zinc/75/96/91/553759691.db2.gz MQXFPEDVANDGRO-AREMUKBSSA-N -1 1 543.645 6.279 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097939533 553759701 /nfs/dbraw/zinc/75/97/01/553759701.db2.gz JOWUBPYLGSVTKA-LJAQVGFWSA-N -1 1 598.677 7.412 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(Cl)cc3Cl)C2)cc1 ZINC000097948667 553795780 /nfs/dbraw/zinc/79/57/80/553795780.db2.gz FWLTYWSPPBMUBK-MQFAKOPTSA-N -1 1 591.535 8.056 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000097951602 553810212 /nfs/dbraw/zinc/81/02/12/553810212.db2.gz SLNZZIDQNVAUEE-IBGZPJMESA-N -1 1 514.173 5.390 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000097951776 553811209 /nfs/dbraw/zinc/81/12/09/553811209.db2.gz DFUULQAMVNNRTH-DEOSSOPVSA-N -1 1 533.049 7.039 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097951814 553811482 /nfs/dbraw/zinc/81/14/82/553811482.db2.gz ABDULZNRKDORAP-QFIPXVFZSA-N -1 1 519.420 6.459 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097952230 553814241 /nfs/dbraw/zinc/81/42/41/553814241.db2.gz IXWPOVFFVKJTNE-AREMUKBSSA-N -1 1 542.613 5.970 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000097952258 553814343 /nfs/dbraw/zinc/81/43/43/553814343.db2.gz JTKNYDNZVMQKOP-HSZRJFAPSA-N -1 1 533.005 6.082 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097952280 553814509 /nfs/dbraw/zinc/81/45/09/553814509.db2.gz JVRUADABTKODOY-SANMLTNESA-N -1 1 528.630 6.528 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097952330 553815122 /nfs/dbraw/zinc/81/51/22/553815122.db2.gz KQRLLZXMQANQAS-AREMUKBSSA-N -1 1 526.614 6.269 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952380 553815380 /nfs/dbraw/zinc/81/53/80/553815380.db2.gz RDCUTIUKPJKNRA-AREMUKBSSA-N -1 1 544.629 6.194 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952463 553816074 /nfs/dbraw/zinc/81/60/74/553816074.db2.gz FOCSSDSOWJCDME-HXUWFJFHSA-N -1 1 525.449 6.466 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000097952529 553816247 /nfs/dbraw/zinc/81/62/47/553816247.db2.gz JZFCCUUUBJSJOG-VWLOTQADSA-N -1 1 542.613 5.827 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000097952529 553816249 /nfs/dbraw/zinc/81/62/49/553816249.db2.gz JZFCCUUUBJSJOG-VWLOTQADSA-N -1 1 542.613 5.827 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000097952523 553816360 /nfs/dbraw/zinc/81/63/60/553816360.db2.gz OUHYDTKCLCJREC-MHZLTWQESA-N -1 1 542.657 6.828 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000097952578 553816702 /nfs/dbraw/zinc/81/67/02/553816702.db2.gz OTHGLGMZZLNBJR-VWLOTQADSA-N -1 1 549.048 6.702 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000097952578 553816703 /nfs/dbraw/zinc/81/67/03/553816703.db2.gz OTHGLGMZZLNBJR-VWLOTQADSA-N -1 1 549.048 6.702 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097952982 553818518 /nfs/dbraw/zinc/81/85/18/553818518.db2.gz LWUCLIHCDPXJLS-QHCPKHFHSA-N -1 1 529.530 5.067 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097955000 553827201 /nfs/dbraw/zinc/82/72/01/553827201.db2.gz ZSTPJSPASHUBDN-MYYSRTQBSA-N -1 1 532.618 5.549 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955028 553827422 /nfs/dbraw/zinc/82/74/22/553827422.db2.gz BFIQYJCVKFNWGX-WWOZWPLTSA-N -1 1 616.711 7.509 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955028 553827425 /nfs/dbraw/zinc/82/74/25/553827425.db2.gz BFIQYJCVKFNWGX-WWOZWPLTSA-N -1 1 616.711 7.509 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955017 553827536 /nfs/dbraw/zinc/82/75/36/553827536.db2.gz LACSRIVUSLOSCQ-YMGMXPECSA-N -1 1 588.657 6.729 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000097955017 553827539 /nfs/dbraw/zinc/82/75/39/553827539.db2.gz LACSRIVUSLOSCQ-YMGMXPECSA-N -1 1 588.657 6.729 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097955038 553827798 /nfs/dbraw/zinc/82/77/98/553827798.db2.gz KFSUTYYSYOISJL-IVCQMTBJSA-N -1 1 546.645 5.939 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097955092 553828356 /nfs/dbraw/zinc/82/83/56/553828356.db2.gz KCWSQGLZNSUALN-ZAMGYDSWSA-N -1 1 565.420 6.304 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097955094 553828381 /nfs/dbraw/zinc/82/83/81/553828381.db2.gz KCWSQGLZNSUALN-NPMABZOXSA-N -1 1 565.420 6.304 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097955115 553828687 /nfs/dbraw/zinc/82/86/87/553828687.db2.gz IZJZSYDKKSZKQN-QMTYFTJSSA-N -1 1 542.632 6.839 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000097955099 553828721 /nfs/dbraw/zinc/82/87/21/553828721.db2.gz TZWIOFFRPCDVQH-ZAMGYDSWSA-N -1 1 537.424 6.709 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000097955129 553828842 /nfs/dbraw/zinc/82/88/42/553828842.db2.gz NXHNEFXYFUOWAB-OAQYLSRUSA-N -1 1 543.370 5.031 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000097955147 553829179 /nfs/dbraw/zinc/82/91/79/553829179.db2.gz PKIBAAPQKOEGNY-NPMABZOXSA-N -1 1 520.969 6.195 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097955207 553829879 /nfs/dbraw/zinc/82/98/79/553829879.db2.gz GHQMOSNRYCYSES-AREMUKBSSA-N -1 1 618.664 5.312 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000097955286 553830511 /nfs/dbraw/zinc/83/05/11/553830511.db2.gz ZZCXLASIVRQLDJ-ODCWNRFASA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000097955287 553830659 /nfs/dbraw/zinc/83/06/59/553830659.db2.gz ZZCXLASIVRQLDJ-SGANQWHYSA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097955573 553831294 /nfs/dbraw/zinc/83/12/94/553831294.db2.gz BCXKJKDPMIIDIU-ODCWNRFASA-N -1 1 547.032 6.455 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097955581 553831570 /nfs/dbraw/zinc/83/15/70/553831570.db2.gz HDNDGWQOVSGFGA-LFPIHBKWSA-N -1 1 544.560 5.328 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000097955600 553831620 /nfs/dbraw/zinc/83/16/20/553831620.db2.gz HHSAHDPRDVBNNE-WNSKOXEYSA-N -1 1 548.617 5.133 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCC)c2)nc1C ZINC000097955600 553831624 /nfs/dbraw/zinc/83/16/24/553831624.db2.gz HHSAHDPRDVBNNE-WNSKOXEYSA-N -1 1 548.617 5.133 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097955621 553832064 /nfs/dbraw/zinc/83/20/64/553832064.db2.gz GTZKUPSZKACDOV-MUUNZHRXSA-N -1 1 602.665 6.047 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097955621 553832065 /nfs/dbraw/zinc/83/20/65/553832065.db2.gz GTZKUPSZKACDOV-MUUNZHRXSA-N -1 1 602.665 6.047 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097955631 553832079 /nfs/dbraw/zinc/83/20/79/553832079.db2.gz ATCIFEOOTWDWKI-GEFUHLBYSA-N -1 1 604.684 6.990 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000097955608 553832083 /nfs/dbraw/zinc/83/20/83/553832083.db2.gz CQVJWPJZRJXPRD-NPMABZOXSA-N -1 1 531.521 5.450 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097955666 553832391 /nfs/dbraw/zinc/83/23/91/553832391.db2.gz GTHHQEKXVKCVHZ-NDEPHWFRSA-N -1 1 621.111 6.937 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccnc2)nc1C ZINC000097955657 553832508 /nfs/dbraw/zinc/83/25/08/553832508.db2.gz SZXDLQDWZKSTQR-SANMLTNESA-N -1 1 581.650 5.860 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097955695 553832863 /nfs/dbraw/zinc/83/28/63/553832863.db2.gz AIEXQUWTZBIGOD-CMJOXMDJSA-N -1 1 532.618 5.468 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955736 553833548 /nfs/dbraw/zinc/83/35/48/553833548.db2.gz VLSDSOWSMUFISA-WRONEBCDSA-N -1 1 568.695 7.198 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097955753 553833616 /nfs/dbraw/zinc/83/36/16/553833616.db2.gz LCJYVBRZRSVTIK-AKJBCIBTSA-N -1 1 528.605 6.665 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955805 553834186 /nfs/dbraw/zinc/83/41/86/553834186.db2.gz KFPMLYTVLDONCL-LDLUVENISA-N -1 1 602.684 7.119 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000097955805 553834189 /nfs/dbraw/zinc/83/41/89/553834189.db2.gz KFPMLYTVLDONCL-LDLUVENISA-N -1 1 602.684 7.119 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955816 553834253 /nfs/dbraw/zinc/83/42/53/553834253.db2.gz ZWIGRVOWZKLLLY-JBEBIEQOSA-N -1 1 533.005 6.065 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955816 553834256 /nfs/dbraw/zinc/83/42/56/553834256.db2.gz ZWIGRVOWZKLLLY-JBEBIEQOSA-N -1 1 533.005 6.065 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000097956224 553836955 /nfs/dbraw/zinc/83/69/55/553836955.db2.gz TXHJBPAJCGPVTC-HHHXNRCGSA-N -1 1 538.669 7.111 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097956232 553837022 /nfs/dbraw/zinc/83/70/22/553837022.db2.gz HQUYXDKPWGFUHU-WXTAPIANSA-N -1 1 524.598 5.828 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097956232 553837024 /nfs/dbraw/zinc/83/70/24/553837024.db2.gz HQUYXDKPWGFUHU-WXTAPIANSA-N -1 1 524.598 5.828 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097956548 553839393 /nfs/dbraw/zinc/83/93/93/553839393.db2.gz INPODPIXYPKURC-YHAMSUFESA-N -1 1 542.588 6.107 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097956548 553839394 /nfs/dbraw/zinc/83/93/94/553839394.db2.gz INPODPIXYPKURC-YHAMSUFESA-N -1 1 542.588 6.107 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097956549 553839438 /nfs/dbraw/zinc/83/94/38/553839438.db2.gz INPODPIXYPKURC-DXPJPUQTSA-N -1 1 542.588 6.107 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097956549 553839439 /nfs/dbraw/zinc/83/94/39/553839439.db2.gz INPODPIXYPKURC-DXPJPUQTSA-N -1 1 542.588 6.107 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097956687 553840698 /nfs/dbraw/zinc/84/06/98/553840698.db2.gz SRKJITHEVDWILF-BSEYFRJRSA-N -1 1 543.557 5.319 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097956685 553840751 /nfs/dbraw/zinc/84/07/51/553840751.db2.gz SRKJITHEVDWILF-LFPIHBKWSA-N -1 1 543.557 5.319 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccccc2OCC)nc1C ZINC000097956813 553842200 /nfs/dbraw/zinc/84/22/00/553842200.db2.gz VOQYZQFQOHQSSU-JOCHJYFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccccc2OCC)nc1C ZINC000097956813 553842202 /nfs/dbraw/zinc/84/22/02/553842202.db2.gz VOQYZQFQOHQSSU-JOCHJYFZSA-N -1 1 536.606 5.127 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956808 553842288 /nfs/dbraw/zinc/84/22/88/553842288.db2.gz FVTKYUWUKGMJGG-VWLOTQADSA-N -1 1 570.623 6.130 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000097956878 553843057 /nfs/dbraw/zinc/84/30/57/553843057.db2.gz DTELDXNDMWEIEO-QHCPKHFHSA-N -1 1 565.047 6.104 50 30 KKEAMM CCOc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000097960010 553867703 /nfs/dbraw/zinc/86/77/03/553867703.db2.gz IHWWJMMQPYLNCC-MGBGTMOVSA-N -1 1 603.115 7.326 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097967017 553913103 /nfs/dbraw/zinc/91/31/03/553913103.db2.gz QYEZRPNDNIECDH-NRFANRHFSA-N -1 1 555.837 6.504 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097967049 553913594 /nfs/dbraw/zinc/91/35/94/553913594.db2.gz SRJYUNQNNFYQML-DEOSSOPVSA-N -1 1 560.672 6.192 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967237 553915781 /nfs/dbraw/zinc/91/57/81/553915781.db2.gz ZEWSBWXRXLWYKX-VTLMBFNKSA-N -1 1 648.737 7.389 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967237 553915783 /nfs/dbraw/zinc/91/57/83/553915783.db2.gz ZEWSBWXRXLWYKX-VTLMBFNKSA-N -1 1 648.737 7.389 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097967273 553916190 /nfs/dbraw/zinc/91/61/90/553916190.db2.gz GHOPCFOADZDUFM-PRAQEBQASA-N -1 1 598.721 7.207 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967299 553916677 /nfs/dbraw/zinc/91/66/77/553916677.db2.gz PATINVOWOKZNQQ-SLQAJWMNSA-N -1 1 678.232 7.778 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000097967308 553916697 /nfs/dbraw/zinc/91/66/97/553916697.db2.gz DZENTNQWFCVRFB-UDNBHOFDSA-N -1 1 661.805 7.824 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000097967325 553916800 /nfs/dbraw/zinc/91/68/00/553916800.db2.gz QRUCWGBDRFNKLQ-JCQPUDPBSA-N -1 1 565.420 6.304 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967351 553917120 /nfs/dbraw/zinc/91/71/20/553917120.db2.gz MXUDVLQDTJPAEL-XRHLQHRESA-N -1 1 601.725 7.199 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967351 553917122 /nfs/dbraw/zinc/91/71/22/553917122.db2.gz MXUDVLQDTJPAEL-XRHLQHRESA-N -1 1 601.725 7.199 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967350 553917211 /nfs/dbraw/zinc/91/72/11/553917211.db2.gz MXUDVLQDTJPAEL-DNOBIOAJSA-N -1 1 601.725 7.199 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967350 553917212 /nfs/dbraw/zinc/91/72/12/553917212.db2.gz MXUDVLQDTJPAEL-DNOBIOAJSA-N -1 1 601.725 7.199 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967335 553917330 /nfs/dbraw/zinc/91/73/30/553917330.db2.gz QVKCLDMCJOJDRQ-ULKXQASOSA-N -1 1 726.276 8.568 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967346 553917342 /nfs/dbraw/zinc/91/73/42/553917342.db2.gz DFEOEXJTMFPHGM-ONOMSOESSA-N -1 1 627.788 7.424 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967376 553917664 /nfs/dbraw/zinc/91/76/64/553917664.db2.gz GTHXRJOCSSNRFL-ROTAYESASA-N -1 1 665.768 7.655 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097967359 553917701 /nfs/dbraw/zinc/91/77/01/553917701.db2.gz LTYMDGVBYOXIHV-JWIGPWBQSA-N -1 1 572.639 5.819 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097967359 553917704 /nfs/dbraw/zinc/91/77/04/553917704.db2.gz LTYMDGVBYOXIHV-JWIGPWBQSA-N -1 1 572.639 5.819 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097967407 553918088 /nfs/dbraw/zinc/91/80/88/553918088.db2.gz VOPICFILUMBCOV-MGBGTMOVSA-N -1 1 672.759 8.257 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097967393 553918109 /nfs/dbraw/zinc/91/81/09/553918109.db2.gz KHWWPQWROSHUGV-QLXKLKPCSA-N -1 1 560.672 6.185 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967506 553919270 /nfs/dbraw/zinc/91/92/70/553919270.db2.gz NBCMWMRHEFYBPT-NHOCJEJCSA-N -1 1 707.874 8.668 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097967510 553919516 /nfs/dbraw/zinc/91/95/16/553919516.db2.gz PKHYSNXPYQVGPI-HHHXNRCGSA-N -1 1 598.677 6.307 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097967510 553919518 /nfs/dbraw/zinc/91/95/18/553919518.db2.gz PKHYSNXPYQVGPI-HHHXNRCGSA-N -1 1 598.677 6.307 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097967613 553920938 /nfs/dbraw/zinc/92/09/38/553920938.db2.gz VTYJILDFDRBGCA-GDLZYMKVSA-N -1 1 616.692 6.437 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967624 553921003 /nfs/dbraw/zinc/92/10/03/553921003.db2.gz VMZVETOSLLRHKT-AKJBCIBTSA-N -1 1 561.059 6.845 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967624 553921005 /nfs/dbraw/zinc/92/10/05/553921005.db2.gz VMZVETOSLLRHKT-AKJBCIBTSA-N -1 1 561.059 6.845 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967622 553921109 /nfs/dbraw/zinc/92/11/09/553921109.db2.gz VMZVETOSLLRHKT-YHAMSUFESA-N -1 1 561.059 6.845 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967622 553921117 /nfs/dbraw/zinc/92/11/17/553921117.db2.gz VMZVETOSLLRHKT-YHAMSUFESA-N -1 1 561.059 6.845 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967667 553921428 /nfs/dbraw/zinc/92/14/28/553921428.db2.gz OFIDRYLABPJCDO-AKJBCIBTSA-N -1 1 559.043 6.621 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967667 553921430 /nfs/dbraw/zinc/92/14/30/553921430.db2.gz OFIDRYLABPJCDO-AKJBCIBTSA-N -1 1 559.043 6.621 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967680 553921708 /nfs/dbraw/zinc/92/17/08/553921708.db2.gz SYYMIMMIEKLIHB-SONOPUAISA-N -1 1 584.694 6.817 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967735 553922133 /nfs/dbraw/zinc/92/21/33/553922133.db2.gz DSYRIIJYHPDRLC-GSTQUKTASA-N -1 1 760.721 9.221 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097967732 553922351 /nfs/dbraw/zinc/92/23/51/553922351.db2.gz UKTBPZRMHASWBI-CLYVBNDRSA-N -1 1 620.724 6.312 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097967732 553922354 /nfs/dbraw/zinc/92/23/54/553922354.db2.gz UKTBPZRMHASWBI-CLYVBNDRSA-N -1 1 620.724 6.312 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967754 553922717 /nfs/dbraw/zinc/92/27/17/553922717.db2.gz SLHVHCHXIFFGPA-PIIWDFAUSA-N -1 1 611.745 6.810 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967749 553922800 /nfs/dbraw/zinc/92/28/00/553922800.db2.gz HNNMPCKKTLHDPD-JMQGSBJISA-N -1 1 568.651 6.366 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967790 553922991 /nfs/dbraw/zinc/92/29/91/553922991.db2.gz PYDWLZXQVPBKTC-WRHNGFHOSA-N -1 1 583.666 5.931 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967790 553922994 /nfs/dbraw/zinc/92/29/94/553922994.db2.gz PYDWLZXQVPBKTC-WRHNGFHOSA-N -1 1 583.666 5.931 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097967780 553922999 /nfs/dbraw/zinc/92/29/99/553922999.db2.gz ANYVRNIVOJHQBM-RIPCNWKXSA-N -1 1 662.764 7.779 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097967767 553923059 /nfs/dbraw/zinc/92/30/59/553923059.db2.gz QWTKHTQEXANXAI-XBBWARJSSA-N -1 1 640.714 6.322 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097967767 553923060 /nfs/dbraw/zinc/92/30/60/553923060.db2.gz QWTKHTQEXANXAI-XBBWARJSSA-N -1 1 640.714 6.322 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000097967781 553923162 /nfs/dbraw/zinc/92/31/62/553923162.db2.gz ANYVRNIVOJHQBM-GMWXTNTRSA-N -1 1 662.764 7.779 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000097967831 553923929 /nfs/dbraw/zinc/92/39/29/553923929.db2.gz RDIAFZGCJPLFEW-PKHCJMHPSA-N -1 1 740.731 9.067 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097967887 553924493 /nfs/dbraw/zinc/92/44/93/553924493.db2.gz BDZGZRFQZVAHME-IZHWHUGBSA-N -1 1 594.089 6.729 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967864 553924571 /nfs/dbraw/zinc/92/45/71/553924571.db2.gz ZDPFFHAHSJRRKP-XMMPIXPASA-N -1 1 591.642 5.532 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097967877 553924577 /nfs/dbraw/zinc/92/45/77/553924577.db2.gz PJVNFSLGBYOTMJ-RBSBEOHCSA-N -1 1 578.621 7.334 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097967877 553924579 /nfs/dbraw/zinc/92/45/79/553924579.db2.gz PJVNFSLGBYOTMJ-RBSBEOHCSA-N -1 1 578.621 7.334 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967866 553924665 /nfs/dbraw/zinc/92/46/65/553924665.db2.gz SNNNYJBWVRNLER-MUUNZHRXSA-N -1 1 584.650 6.122 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967957 553925805 /nfs/dbraw/zinc/92/58/05/553925805.db2.gz WNGCIBPDCBYSNF-LDLUVENISA-N -1 1 710.661 8.207 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097968001 553926196 /nfs/dbraw/zinc/92/61/96/553926196.db2.gz HIGVSZHLKTWPSO-SHACYNPGSA-N -1 1 628.534 7.383 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968019 553926603 /nfs/dbraw/zinc/92/66/03/553926603.db2.gz WPYOQNRXECATOT-RUZDIDTESA-N -1 1 622.124 6.437 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000097968053 553926973 /nfs/dbraw/zinc/92/69/73/553926973.db2.gz HVDCKJJKOIRYKE-QHCPKHFHSA-N -1 1 559.625 5.090 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968101 553927422 /nfs/dbraw/zinc/92/74/22/553927422.db2.gz OTKPZZZXNIVTLW-VWLOTQADSA-N -1 1 622.124 6.437 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968090 553927464 /nfs/dbraw/zinc/92/74/64/553927464.db2.gz CXOKLTNIJWSDPI-SONOPUAISA-N -1 1 696.678 8.668 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097968114 553927963 /nfs/dbraw/zinc/92/79/63/553927963.db2.gz HXHSDIFZHHDOHX-QHCPKHFHSA-N -1 1 596.061 6.177 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097968213 553929088 /nfs/dbraw/zinc/92/90/88/553929088.db2.gz CFUDIWOSKMSBIH-SANMLTNESA-N -1 1 585.707 6.508 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097968199 553929117 /nfs/dbraw/zinc/92/91/17/553929117.db2.gz FDNWYSRNWPRHIE-XMMPIXPASA-N -1 1 670.552 6.478 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097968200 553929139 /nfs/dbraw/zinc/92/91/39/553929139.db2.gz FDNWYSRNWPRHIE-DEOSSOPVSA-N -1 1 670.552 6.478 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097968237 553929604 /nfs/dbraw/zinc/92/96/04/553929604.db2.gz NHTVTTIVFVBWIL-OWJWWREXSA-N -1 1 594.089 6.729 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097968288 553930151 /nfs/dbraw/zinc/93/01/51/553930151.db2.gz HEPIOCKASUSLLO-DEOSSOPVSA-N -1 1 636.107 5.825 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097968303 553930368 /nfs/dbraw/zinc/93/03/68/553930368.db2.gz XRCQEQOVTRJSGM-ADSBAMQRSA-N -1 1 616.711 7.365 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000097968303 553930369 /nfs/dbraw/zinc/93/03/69/553930369.db2.gz XRCQEQOVTRJSGM-ADSBAMQRSA-N -1 1 616.711 7.365 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968331 553930670 /nfs/dbraw/zinc/93/06/70/553930670.db2.gz FPVZOGFJPSNJQB-GDLZYMKVSA-N -1 1 659.786 6.880 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968343 553930700 /nfs/dbraw/zinc/93/07/00/553930700.db2.gz NWZZYWMHXVDASL-HHHXNRCGSA-N -1 1 615.733 6.563 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000097968427 553932351 /nfs/dbraw/zinc/93/23/51/553932351.db2.gz HCJOFGOAKIKZGC-PMERELPUSA-N -1 1 708.258 7.862 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000097969062 553936285 /nfs/dbraw/zinc/93/62/85/553936285.db2.gz ICXSCHWZKFDWNT-JOCHJYFZSA-N -1 1 551.418 5.859 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969147 553936850 /nfs/dbraw/zinc/93/68/50/553936850.db2.gz YTHUMWWYMOGPCI-CRYYWNKWSA-N -1 1 556.640 6.200 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969146 553937043 /nfs/dbraw/zinc/93/70/43/553937043.db2.gz YTHUMWWYMOGPCI-XGCWNURASA-N -1 1 556.640 6.200 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969123 553937103 /nfs/dbraw/zinc/93/71/03/553937103.db2.gz VWHFSYNIMIFKAS-ROTAYESASA-N -1 1 682.223 8.169 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000097969165 553937319 /nfs/dbraw/zinc/93/73/19/553937319.db2.gz LVGMFGYIHJAUCX-SSOJOUAXSA-N -1 1 574.655 5.689 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000097969165 553937326 /nfs/dbraw/zinc/93/73/26/553937326.db2.gz LVGMFGYIHJAUCX-SSOJOUAXSA-N -1 1 574.655 5.689 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000097969176 553937561 /nfs/dbraw/zinc/93/75/61/553937561.db2.gz LHNZIVSRQHGGMV-WJOKGBTCSA-N -1 1 604.684 7.046 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969207 553937722 /nfs/dbraw/zinc/93/77/22/553937722.db2.gz ZWQVZTWMCZGSOH-QJWGWKRISA-N -1 1 628.747 7.379 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969188 553937756 /nfs/dbraw/zinc/93/77/56/553937756.db2.gz WFYJULAQFDODCZ-QWXGXRTQSA-N -1 1 577.058 6.463 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969222 553938236 /nfs/dbraw/zinc/93/82/36/553938236.db2.gz QXRKLODPIHWLMY-CHAGWJKLSA-N -1 1 591.085 6.853 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969222 553938242 /nfs/dbraw/zinc/93/82/42/553938242.db2.gz QXRKLODPIHWLMY-CHAGWJKLSA-N -1 1 591.085 6.853 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969252 553938682 /nfs/dbraw/zinc/93/86/82/553938682.db2.gz MPICMOCLCBGXDP-JMQGSBJISA-N -1 1 570.667 6.590 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969247 553938765 /nfs/dbraw/zinc/93/87/65/553938765.db2.gz SBZJIAGMQCPIMT-GDJIYFAZSA-N -1 1 631.751 7.255 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097969310 553939264 /nfs/dbraw/zinc/93/92/64/553939264.db2.gz SMGQYUALHBERDA-LJAQVGFWSA-N -1 1 642.730 6.706 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)s2)cc1 ZINC000097969300 553939318 /nfs/dbraw/zinc/93/93/18/553939318.db2.gz ZBWYUCRNHVOJPS-GKVSMKOHSA-N -1 1 573.671 6.384 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969337 553939632 /nfs/dbraw/zinc/93/96/32/553939632.db2.gz WHQXNSFCKMKFMA-PPHZAIPVSA-N -1 1 597.718 6.502 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969358 553940205 /nfs/dbraw/zinc/94/02/05/553940205.db2.gz QUSXHHOYRTUXTC-AFJIDDCJSA-N -1 1 662.233 8.015 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969344 553940249 /nfs/dbraw/zinc/94/02/49/553940249.db2.gz DNFMFETXZLXHDJ-VKGTZQKMSA-N -1 1 554.668 6.808 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969383 553940377 /nfs/dbraw/zinc/94/03/77/553940377.db2.gz ADUIMXAYCUMVKC-PMERELPUSA-N -1 1 614.720 7.045 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969380 553940442 /nfs/dbraw/zinc/94/04/42/553940442.db2.gz GPTABEQZTVNQGT-VOIUYBSRSA-N -1 1 562.644 5.523 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969380 553940443 /nfs/dbraw/zinc/94/04/43/553940443.db2.gz GPTABEQZTVNQGT-VOIUYBSRSA-N -1 1 562.644 5.523 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969375 553940450 /nfs/dbraw/zinc/94/04/50/553940450.db2.gz MRZKAZSVTBFZQT-GDJIYFAZSA-N -1 1 648.206 7.769 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969373 553940482 /nfs/dbraw/zinc/94/04/82/553940482.db2.gz MRZKAZSVTBFZQT-VKGTZQKMSA-N -1 1 648.206 7.769 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969572 553942558 /nfs/dbraw/zinc/94/25/58/553942558.db2.gz IBAIQAWMZWEAJZ-BHNGRWRESA-N -1 1 697.838 8.669 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097969623 553942891 /nfs/dbraw/zinc/94/28/91/553942891.db2.gz FWCXPYNGIJJICV-KWMCUTETSA-N -1 1 604.725 6.728 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097969623 553942892 /nfs/dbraw/zinc/94/28/92/553942892.db2.gz FWCXPYNGIJJICV-KWMCUTETSA-N -1 1 604.725 6.728 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097969613 553943023 /nfs/dbraw/zinc/94/30/23/553943023.db2.gz ASNGCVFDXRVYLD-MYUZEXMDSA-N -1 1 616.692 5.864 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097969613 553943026 /nfs/dbraw/zinc/94/30/26/553943026.db2.gz ASNGCVFDXRVYLD-MYUZEXMDSA-N -1 1 616.692 5.864 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969605 553943065 /nfs/dbraw/zinc/94/30/65/553943065.db2.gz OBKNOLUIEOMLTL-XHCCPWGMSA-N -1 1 602.709 6.326 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969605 553943069 /nfs/dbraw/zinc/94/30/69/553943069.db2.gz OBKNOLUIEOMLTL-XHCCPWGMSA-N -1 1 602.709 6.326 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097969713 553943758 /nfs/dbraw/zinc/94/37/58/553943758.db2.gz UQRHJUPLFOVOGR-CBZJRKILSA-N -1 1 556.640 6.118 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097969669 553943787 /nfs/dbraw/zinc/94/37/87/553943787.db2.gz RDABOWVQNHDTEO-GKVSMKOHSA-N -1 1 576.671 5.913 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097969669 553943789 /nfs/dbraw/zinc/94/37/89/553943789.db2.gz RDABOWVQNHDTEO-GKVSMKOHSA-N -1 1 576.671 5.913 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969717 553944224 /nfs/dbraw/zinc/94/42/24/553944224.db2.gz WVYNXMUDLDOHLB-LJAQVGFWSA-N -1 1 600.693 6.818 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969717 553944229 /nfs/dbraw/zinc/94/42/29/553944229.db2.gz WVYNXMUDLDOHLB-LJAQVGFWSA-N -1 1 600.693 6.818 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969759 553944494 /nfs/dbraw/zinc/94/44/94/553944494.db2.gz YVYAOIAJNXIAIN-AFJIDDCJSA-N -1 1 568.695 7.136 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969775 553944533 /nfs/dbraw/zinc/94/45/33/553944533.db2.gz DISQCVSQOMEVOF-OLILMLBXSA-N -1 1 641.771 6.900 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969768 553944613 /nfs/dbraw/zinc/94/46/13/553944613.db2.gz YCAFPLUGKBCWRC-SSEXGKCCSA-N -1 1 606.656 6.438 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969768 553944615 /nfs/dbraw/zinc/94/46/15/553944615.db2.gz YCAFPLUGKBCWRC-SSEXGKCCSA-N -1 1 606.656 6.438 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969798 553944930 /nfs/dbraw/zinc/94/49/30/553944930.db2.gz YHCBRCGWUKOMAX-OLILMLBXSA-N -1 1 645.778 7.645 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097969806 553944938 /nfs/dbraw/zinc/94/49/38/553944938.db2.gz YSZPCTJBGXLBDS-HHHXNRCGSA-N -1 1 614.676 6.013 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097969784 553944969 /nfs/dbraw/zinc/94/49/69/553944969.db2.gz QBRQTJXJXWANIU-OHWKKVTOSA-N -1 1 646.765 7.997 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969801 553945071 /nfs/dbraw/zinc/94/50/71/553945071.db2.gz AMHBIEZHIKSDKD-PRAQEBQASA-N -1 1 675.804 7.653 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969830 553945467 /nfs/dbraw/zinc/94/54/67/553945467.db2.gz DXDSHLHFSQDNSQ-MYUZEXMDSA-N -1 1 617.724 6.865 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097969855 553945865 /nfs/dbraw/zinc/94/58/65/553945865.db2.gz VLOZWWNIBNGGET-WRGVRERRSA-N -1 1 692.259 8.168 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097969862 553946037 /nfs/dbraw/zinc/94/60/37/553946037.db2.gz KTMZPSAPCJEGEK-HHHXNRCGSA-N -1 1 570.623 5.675 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097969856 553946056 /nfs/dbraw/zinc/94/60/56/553946056.db2.gz VLOZWWNIBNGGET-PRAQEBQASA-N -1 1 692.259 8.168 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969860 553946085 /nfs/dbraw/zinc/94/60/85/553946085.db2.gz HMFOROSSGMGAEQ-WHLCRQNOSA-N -1 1 629.760 6.734 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969895 553946569 /nfs/dbraw/zinc/94/65/69/553946569.db2.gz PXQLJGLLPHLVNG-HPGBDJQBSA-N -1 1 605.112 7.244 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969921 553946909 /nfs/dbraw/zinc/94/69/09/553946909.db2.gz DVIDBKNAHDZCTD-WHLCRQNOSA-N -1 1 632.735 6.478 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969921 553946911 /nfs/dbraw/zinc/94/69/11/553946911.db2.gz DVIDBKNAHDZCTD-WHLCRQNOSA-N -1 1 632.735 6.478 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969906 553946942 /nfs/dbraw/zinc/94/69/42/553946942.db2.gz VVECYNPUMUNUOT-YRVHBCJASA-N -1 1 619.139 7.634 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969906 553946944 /nfs/dbraw/zinc/94/69/44/553946944.db2.gz VVECYNPUMUNUOT-YRVHBCJASA-N -1 1 619.139 7.634 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097969915 553946948 /nfs/dbraw/zinc/94/69/48/553946948.db2.gz YTFPWTVVRGOFTG-XHCCPWGMSA-N -1 1 602.709 6.470 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097969915 553946951 /nfs/dbraw/zinc/94/69/51/553946951.db2.gz YTFPWTVVRGOFTG-XHCCPWGMSA-N -1 1 602.709 6.470 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970021 553948189 /nfs/dbraw/zinc/94/81/89/553948189.db2.gz LIORHOOMLOGPNK-KWMCUTETSA-N -1 1 589.113 7.625 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970021 553948191 /nfs/dbraw/zinc/94/81/91/553948191.db2.gz LIORHOOMLOGPNK-KWMCUTETSA-N -1 1 589.113 7.625 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970056 553949119 /nfs/dbraw/zinc/94/91/19/553949119.db2.gz QTBZFWKYUGIHBY-AREMUKBSSA-N -1 1 556.596 5.285 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097970144 553949939 /nfs/dbraw/zinc/94/99/39/553949939.db2.gz HAFMANOOEOBYDS-IVCQMTBJSA-N -1 1 592.670 5.532 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970131 553950061 /nfs/dbraw/zinc/95/00/61/553950061.db2.gz ONKZPVFBTYSEJA-VWLOTQADSA-N -1 1 608.669 5.370 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970228 553951152 /nfs/dbraw/zinc/95/11/52/553951152.db2.gz KUJPFCDOETZZLO-ONOMSOESSA-N -1 1 627.788 7.362 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097970238 553951241 /nfs/dbraw/zinc/95/12/41/553951241.db2.gz XTJQPWARTJMKPI-ADSBAMQRSA-N -1 1 609.103 7.635 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097970238 553951245 /nfs/dbraw/zinc/95/12/45/553951245.db2.gz XTJQPWARTJMKPI-ADSBAMQRSA-N -1 1 609.103 7.635 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970223 553951329 /nfs/dbraw/zinc/95/13/29/553951329.db2.gz BYRZQMYNSNSTJW-ADXZGYQBSA-N -1 1 584.694 6.836 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970260 553951540 /nfs/dbraw/zinc/95/15/40/553951540.db2.gz SCCQWLJYDLEKDJ-BGOLNKOXSA-N -1 1 588.685 7.290 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970246 553951632 /nfs/dbraw/zinc/95/16/32/553951632.db2.gz QJODPTZUVUUFST-ROTAYESASA-N -1 1 649.794 7.879 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970253 553951744 /nfs/dbraw/zinc/95/17/44/553951744.db2.gz NYVFOLBPVSZCDS-ADSBAMQRSA-N -1 1 633.166 8.024 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970253 553951747 /nfs/dbraw/zinc/95/17/47/553951747.db2.gz NYVFOLBPVSZCDS-ADSBAMQRSA-N -1 1 633.166 8.024 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970314 553952413 /nfs/dbraw/zinc/95/24/13/553952413.db2.gz PIXNNCFZLJJBGW-GFJKYASSSA-N -1 1 618.711 7.380 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970304 553952497 /nfs/dbraw/zinc/95/24/97/553952497.db2.gz OHNPKJGVLJIHBL-LMKMVOKYSA-N -1 1 617.680 5.862 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970310 553952510 /nfs/dbraw/zinc/95/25/10/553952510.db2.gz YIWDSJGZLXQJHD-QYBDOPJKSA-N -1 1 590.698 6.304 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970310 553952512 /nfs/dbraw/zinc/95/25/12/553952512.db2.gz YIWDSJGZLXQJHD-QYBDOPJKSA-N -1 1 590.698 6.304 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097970324 553952557 /nfs/dbraw/zinc/95/25/57/553952557.db2.gz LTAASBYYFKPCPE-WWOZWPLTSA-N -1 1 624.715 6.738 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097970324 553952561 /nfs/dbraw/zinc/95/25/61/553952561.db2.gz LTAASBYYFKPCPE-WWOZWPLTSA-N -1 1 624.715 6.738 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970363 553952856 /nfs/dbraw/zinc/95/28/56/553952856.db2.gz YBMLNDVEDOUVEM-MYUZEXMDSA-N -1 1 615.708 6.641 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000097970359 553952938 /nfs/dbraw/zinc/95/29/38/553952938.db2.gz TYPNRCBRLJCNSC-BGOLNKOXSA-N -1 1 706.286 8.414 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970357 553952959 /nfs/dbraw/zinc/95/29/59/553952959.db2.gz FEDSZVVEADCJKH-XRHLQHRESA-N -1 1 601.725 7.199 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970357 553952961 /nfs/dbraw/zinc/95/29/61/553952961.db2.gz FEDSZVVEADCJKH-XRHLQHRESA-N -1 1 601.725 7.199 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097970334 553953003 /nfs/dbraw/zinc/95/30/03/553953003.db2.gz NNGGFUBNPWOUDQ-DFXYEROKSA-N -1 1 582.722 7.588 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097970380 553953208 /nfs/dbraw/zinc/95/32/08/553953208.db2.gz SQHOOHGSQFWUEC-PMERELPUSA-N -1 1 636.770 7.762 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000097970372 553953238 /nfs/dbraw/zinc/95/32/38/553953238.db2.gz HGPSLNGYSRVAEG-WXTAPIANSA-N -1 1 588.682 6.080 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000097970372 553953239 /nfs/dbraw/zinc/95/32/39/553953239.db2.gz HGPSLNGYSRVAEG-WXTAPIANSA-N -1 1 588.682 6.080 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097970375 553953257 /nfs/dbraw/zinc/95/32/57/553953257.db2.gz CKDKCWQVUZDYDI-SANMLTNESA-N -1 1 604.637 5.275 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970384 553953370 /nfs/dbraw/zinc/95/33/70/553953370.db2.gz KFECRSFUEKRBRF-CBZJRKILSA-N -1 1 556.640 6.037 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000097970371 553953387 /nfs/dbraw/zinc/95/33/87/553953387.db2.gz HGPSLNGYSRVAEG-QYBDOPJKSA-N -1 1 588.682 6.080 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000097970371 553953388 /nfs/dbraw/zinc/95/33/88/553953388.db2.gz HGPSLNGYSRVAEG-QYBDOPJKSA-N -1 1 588.682 6.080 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970417 553953788 /nfs/dbraw/zinc/95/37/88/553953788.db2.gz UYTIXVIHQMTKSH-XRHLQHRESA-N -1 1 618.180 7.714 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970417 553953790 /nfs/dbraw/zinc/95/37/90/553953790.db2.gz UYTIXVIHQMTKSH-XRHLQHRESA-N -1 1 618.180 7.714 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000097970433 553954162 /nfs/dbraw/zinc/95/41/62/553954162.db2.gz PPYUXVQQZAKLRR-ODCWNRFASA-N -1 1 621.509 6.496 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970510 553954932 /nfs/dbraw/zinc/95/49/32/553954932.db2.gz IDCTYBZKGWSICG-DXPJPUQTSA-N -1 1 561.059 6.845 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097970510 553954933 /nfs/dbraw/zinc/95/49/33/553954933.db2.gz IDCTYBZKGWSICG-DXPJPUQTSA-N -1 1 561.059 6.845 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970521 553955527 /nfs/dbraw/zinc/95/55/27/553955527.db2.gz ZOZJOXPVHOSPKB-ACSYHNTCSA-N -1 1 622.699 6.480 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970521 553955532 /nfs/dbraw/zinc/95/55/32/553955532.db2.gz ZOZJOXPVHOSPKB-ACSYHNTCSA-N -1 1 622.699 6.480 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097970536 553955584 /nfs/dbraw/zinc/95/55/84/553955584.db2.gz LVHQGMSWFNPGNZ-RKOGDMNLSA-N -1 1 572.639 5.819 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970570 553955972 /nfs/dbraw/zinc/95/59/72/553955972.db2.gz TUCLUXDKWNPQBZ-WRHNGFHOSA-N -1 1 589.113 7.481 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970570 553955974 /nfs/dbraw/zinc/95/59/74/553955974.db2.gz TUCLUXDKWNPQBZ-WRHNGFHOSA-N -1 1 589.113 7.481 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970626 553956820 /nfs/dbraw/zinc/95/68/20/553956820.db2.gz WDBFLAWGLSOKPX-KEEVHDRGSA-N -1 1 598.721 7.289 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970655 553957142 /nfs/dbraw/zinc/95/71/42/553957142.db2.gz GLKKYFXQPVULNJ-PMERELPUSA-N -1 1 630.719 6.683 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970655 553957146 /nfs/dbraw/zinc/95/71/46/553957146.db2.gz GLKKYFXQPVULNJ-PMERELPUSA-N -1 1 630.719 6.683 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970666 553957170 /nfs/dbraw/zinc/95/71/70/553957170.db2.gz AAKXMQAMMXKXDO-GDLZYMKVSA-N -1 1 616.692 6.437 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097970671 553957210 /nfs/dbraw/zinc/95/72/10/553957210.db2.gz VKINNUVWUPTWEM-KATKFWMUSA-N -1 1 632.738 7.607 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970680 553957479 /nfs/dbraw/zinc/95/74/79/553957479.db2.gz NXRVYOJURONNTG-MYUZEXMDSA-N -1 1 615.708 6.641 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970722 553957857 /nfs/dbraw/zinc/95/78/57/553957857.db2.gz JUJMHJHOPKWVAU-PKHCJMHPSA-N -1 1 628.747 7.379 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970722 553957860 /nfs/dbraw/zinc/95/78/60/553957860.db2.gz JUJMHJHOPKWVAU-PKHCJMHPSA-N -1 1 628.747 7.379 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970727 553958035 /nfs/dbraw/zinc/95/80/35/553958035.db2.gz QVRWSTINTZPUET-GEFUHLBYSA-N -1 1 628.747 7.235 50 30 KKEAMM COc1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c(Br)c(Br)c1[O-] ZINC000097972369 553966909 /nfs/dbraw/zinc/96/69/09/553966909.db2.gz REVFAVMOCIBSCG-BMXMFTLKSA-N -1 1 552.288 6.472 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccncc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000097987831 554027497 /nfs/dbraw/zinc/02/74/97/554027497.db2.gz SLIULMJRTZDJGG-NRFANRHFSA-N -1 1 520.408 5.854 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccncc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000097987831 554027500 /nfs/dbraw/zinc/02/75/00/554027500.db2.gz SLIULMJRTZDJGG-NRFANRHFSA-N -1 1 520.408 5.854 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000098043590 554128585 /nfs/dbraw/zinc/12/85/85/554128585.db2.gz FPQCRAONMSYTCR-NRFANRHFSA-N -1 1 541.025 5.772 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3)cc2)c1 ZINC000098045755 554133757 /nfs/dbraw/zinc/13/37/57/554133757.db2.gz KKJUPGZIQGQTCJ-GDLZYMKVSA-N -1 1 623.731 7.640 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000098046483 554139321 /nfs/dbraw/zinc/13/93/21/554139321.db2.gz IHWKUBJZFXGOBQ-VWLOTQADSA-N -1 1 654.583 7.694 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098046474 554139375 /nfs/dbraw/zinc/13/93/75/554139375.db2.gz AZBSIPDIWKMWHD-HHHXNRCGSA-N -1 1 665.765 6.957 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000098046478 554139482 /nfs/dbraw/zinc/13/94/82/554139482.db2.gz LETZFHMPSWVESY-RUZDIDTESA-N -1 1 671.038 8.208 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046484 554139950 /nfs/dbraw/zinc/13/99/50/554139950.db2.gz GVQIFQORRLGGOW-RUZDIDTESA-N -1 1 644.577 8.238 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1F ZINC000098046516 554140262 /nfs/dbraw/zinc/14/02/62/554140262.db2.gz SGJZGISJQPXYLM-MUUNZHRXSA-N -1 1 673.744 6.940 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000098046591 554141089 /nfs/dbraw/zinc/14/10/89/554141089.db2.gz OYDSQAHPEVTXLJ-QFIPXVFZSA-N -1 1 525.051 6.973 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000098046617 554141620 /nfs/dbraw/zinc/14/16/20/554141620.db2.gz LEYLUILROIWHJG-NDEPHWFRSA-N -1 1 621.111 7.081 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000098046636 554142061 /nfs/dbraw/zinc/14/20/61/554142061.db2.gz KFNCXUVETPSIQY-FQEVSTJZSA-N -1 1 585.132 6.349 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1C ZINC000098047048 554146118 /nfs/dbraw/zinc/14/61/18/554146118.db2.gz FVFLRWUYBGXMDM-OAQYLSRUSA-N -1 1 541.025 5.772 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccs2)cc1F ZINC000098047240 554148329 /nfs/dbraw/zinc/14/83/29/554148329.db2.gz IICSRHYYLFUVJF-DEOSSOPVSA-N -1 1 573.696 7.276 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000098047283 554148818 /nfs/dbraw/zinc/14/88/18/554148818.db2.gz BFOOZKOCHZIXNQ-RUZDIDTESA-N -1 1 564.660 6.023 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047318 554149192 /nfs/dbraw/zinc/14/91/92/554149192.db2.gz WKXVGKJEOIKHNI-NDEPHWFRSA-N -1 1 660.148 8.207 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccco2)cc1OC ZINC000098047322 554149283 /nfs/dbraw/zinc/14/92/83/554149283.db2.gz LTVUFXWDTWCBIF-VWLOTQADSA-N -1 1 585.663 6.377 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000098047339 554149523 /nfs/dbraw/zinc/14/95/23/554149523.db2.gz KZMRSDCEVWILKG-SANMLTNESA-N -1 1 605.713 6.940 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000098047342 554149576 /nfs/dbraw/zinc/14/95/76/554149576.db2.gz HHMGKYGEMDCBEW-RUZDIDTESA-N -1 1 610.132 7.585 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000098047354 554149637 /nfs/dbraw/zinc/14/96/37/554149637.db2.gz BTUNLMXEQCCSDI-AREMUKBSSA-N -1 1 622.168 7.454 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000098047350 554149695 /nfs/dbraw/zinc/14/96/95/554149695.db2.gz UDQJCYCNAVAISA-HHHXNRCGSA-N -1 1 636.195 7.844 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000098047361 554149991 /nfs/dbraw/zinc/14/99/91/554149991.db2.gz NANVQFOWFRIHGS-VWLOTQADSA-N -1 1 626.587 8.099 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000098047365 554150037 /nfs/dbraw/zinc/15/00/37/554150037.db2.gz KODROKCCMSSZDW-SANMLTNESA-N -1 1 622.168 7.454 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000098047367 554150101 /nfs/dbraw/zinc/15/01/01/554150101.db2.gz XGIKIBVAYGAPHD-VWLOTQADSA-N -1 1 671.038 8.208 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047415 554150370 /nfs/dbraw/zinc/15/03/70/554150370.db2.gz XMNDPRDONUHHRN-YTTGMZPUSA-N -1 1 698.266 9.025 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047475 554151414 /nfs/dbraw/zinc/15/14/14/554151414.db2.gz BAMNMIUTGUADNP-NDEPHWFRSA-N -1 1 615.777 7.581 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047473 554151494 /nfs/dbraw/zinc/15/14/94/554151494.db2.gz UIMFBEUEECWFMV-NDEPHWFRSA-N -1 1 666.221 7.853 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047516 554152176 /nfs/dbraw/zinc/15/21/76/554152176.db2.gz HDLGPGIEEOEBRT-YTTGMZPUSA-N -1 1 687.884 8.678 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000098047520 554152214 /nfs/dbraw/zinc/15/22/14/554152214.db2.gz VMDRZXPFPRNLKW-RUZDIDTESA-N -1 1 592.670 5.773 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047546 554152639 /nfs/dbraw/zinc/15/26/39/554152639.db2.gz GKFYYDNANHCUHI-MHZLTWQESA-N -1 1 622.740 6.778 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047590 554152972 /nfs/dbraw/zinc/15/29/72/554152972.db2.gz XDHWVLQDDAYRJA-HKBQPEDESA-N -1 1 708.302 9.023 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047576 554153014 /nfs/dbraw/zinc/15/30/14/554153014.db2.gz ZOLNMYZSHRPYJT-HKBQPEDESA-N -1 1 691.847 8.509 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000098047611 554153517 /nfs/dbraw/zinc/15/35/17/554153517.db2.gz AUKANFMTPMIJNM-AREMUKBSSA-N -1 1 589.714 7.240 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000098047606 554153662 /nfs/dbraw/zinc/15/36/62/554153662.db2.gz MWDJRYFFAQMHHY-SANMLTNESA-N -1 1 606.169 7.754 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000098047638 554153879 /nfs/dbraw/zinc/15/38/79/554153879.db2.gz CHJOYFQTZXOUMI-MHZLTWQESA-N -1 1 619.740 7.330 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047642 554153885 /nfs/dbraw/zinc/15/38/85/554153885.db2.gz OBVZEYXEULFPBA-MHZLTWQESA-N -1 1 652.194 7.463 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047656 554154027 /nfs/dbraw/zinc/15/40/27/554154027.db2.gz JDPCANOYHHVEKA-NDEPHWFRSA-N -1 1 631.776 7.200 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000098047664 554154495 /nfs/dbraw/zinc/15/44/95/554154495.db2.gz PRLVOKJWSIDADR-MHZLTWQESA-N -1 1 636.195 7.844 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000098047679 554154550 /nfs/dbraw/zinc/15/45/50/554154550.db2.gz YFZFTJKTDWPEPZ-JGCGQSQUSA-N -1 1 687.884 8.760 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Br)cc2)cc1F ZINC000098047707 554154763 /nfs/dbraw/zinc/15/47/63/554154763.db2.gz PPTBYCPLYOCZSN-AREMUKBSSA-N -1 1 646.563 7.977 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000098047730 554155527 /nfs/dbraw/zinc/15/55/27/554155527.db2.gz VPCBQHBXQZNIPZ-LJAQVGFWSA-N -1 1 639.774 8.212 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(O)c2)cc1OC ZINC000098047779 554155828 /nfs/dbraw/zinc/15/58/28/554155828.db2.gz JMFNYPQAGNPFCV-HHHXNRCGSA-N -1 1 611.701 6.489 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000098047777 554155874 /nfs/dbraw/zinc/15/58/74/554155874.db2.gz HNYMYQXKHCROLR-HHHXNRCGSA-N -1 1 630.147 7.437 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2F)cc1OC ZINC000098047781 554155885 /nfs/dbraw/zinc/15/58/85/554155885.db2.gz NRXNXFCGBHZYBH-HHHXNRCGSA-N -1 1 613.692 6.923 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C)cc2)cc1OC ZINC000098047802 554156372 /nfs/dbraw/zinc/15/63/72/554156372.db2.gz ZYMSPJCCUCLJJE-NDEPHWFRSA-N -1 1 609.729 7.092 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098047813 554156385 /nfs/dbraw/zinc/15/63/85/554156385.db2.gz ZVHASPGPYQWUHF-MUUNZHRXSA-N -1 1 625.728 6.792 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000098047843 554156616 /nfs/dbraw/zinc/15/66/16/554156616.db2.gz CSJQJBHMBQWVPP-GDLZYMKVSA-N -1 1 609.748 8.337 50 30 KKEAMM CCc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047820 554156630 /nfs/dbraw/zinc/15/66/30/554156630.db2.gz YPMULERVIFRSPM-LJAQVGFWSA-N -1 1 623.756 7.346 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047820 554156632 /nfs/dbraw/zinc/15/66/32/554156632.db2.gz YPMULERVIFRSPM-LJAQVGFWSA-N -1 1 623.756 7.346 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047824 554156675 /nfs/dbraw/zinc/15/66/75/554156675.db2.gz NIAAISUECNGYGC-HKBQPEDESA-N -1 1 669.800 8.402 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000098047821 554156706 /nfs/dbraw/zinc/15/67/06/554156706.db2.gz JXYNKOWAFQDIDE-JGCGQSQUSA-N -1 1 683.827 8.648 50 30 KKEAMM CCc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047819 554156734 /nfs/dbraw/zinc/15/67/34/554156734.db2.gz YPMULERVIFRSPM-GDLZYMKVSA-N -1 1 623.756 7.346 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047819 554156736 /nfs/dbraw/zinc/15/67/36/554156736.db2.gz YPMULERVIFRSPM-GDLZYMKVSA-N -1 1 623.756 7.346 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccnc2)cc1OC ZINC000098047851 554157004 /nfs/dbraw/zinc/15/70/04/554157004.db2.gz XVXJSARXOYTFLH-AREMUKBSSA-N -1 1 596.690 6.179 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000098047853 554157018 /nfs/dbraw/zinc/15/70/18/554157018.db2.gz ZBMQMPFTUOJHGR-HHHXNRCGSA-N -1 1 640.699 6.692 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098047897 554157330 /nfs/dbraw/zinc/15/73/30/554157330.db2.gz IQYGSRYXURFISQ-HHHXNRCGSA-N -1 1 625.659 6.373 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000098047989 554158352 /nfs/dbraw/zinc/15/83/52/554158352.db2.gz WJVDFKQPGOFNKY-MYYSRTQBSA-N -1 1 530.602 5.325 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048042 554158884 /nfs/dbraw/zinc/15/88/84/554158884.db2.gz MTZASBOPPMJIGY-DXPJPUQTSA-N -1 1 544.604 6.331 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048042 554158885 /nfs/dbraw/zinc/15/88/85/554158885.db2.gz MTZASBOPPMJIGY-DXPJPUQTSA-N -1 1 544.604 6.331 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1O ZINC000098048034 554158929 /nfs/dbraw/zinc/15/89/29/554158929.db2.gz LDIYODTUFLGRMW-PWECECGKSA-N -1 1 546.576 5.646 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1O ZINC000098048034 554158930 /nfs/dbraw/zinc/15/89/30/554158930.db2.gz LDIYODTUFLGRMW-PWECECGKSA-N -1 1 546.576 5.646 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048056 554159155 /nfs/dbraw/zinc/15/91/55/554159155.db2.gz RRNKGJXSCWJHCO-HAWMADMCSA-N -1 1 560.603 5.949 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048056 554159158 /nfs/dbraw/zinc/15/91/58/554159158.db2.gz RRNKGJXSCWJHCO-HAWMADMCSA-N -1 1 560.603 5.949 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000098048048 554159256 /nfs/dbraw/zinc/15/92/56/554159256.db2.gz XHOUYEFJMAJKSB-XDBZFTIUSA-N -1 1 572.658 6.967 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000098048048 554159258 /nfs/dbraw/zinc/15/92/58/554159258.db2.gz XHOUYEFJMAJKSB-XDBZFTIUSA-N -1 1 572.658 6.967 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098048932 554162376 /nfs/dbraw/zinc/16/23/76/554162376.db2.gz DEDPFPCMEVYSII-MUUNZHRXSA-N -1 1 662.818 8.207 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000098050345 554173930 /nfs/dbraw/zinc/17/39/30/554173930.db2.gz ATHCKGPPIMQGDJ-DEOSSOPVSA-N -1 1 560.672 6.192 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000098050340 554174092 /nfs/dbraw/zinc/17/40/92/554174092.db2.gz DHSSBTFWRICZOS-OAQYLSRUSA-N -1 1 539.009 5.548 50 30 KKEAMM CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(N(CC)CC)c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000098050372 554174363 /nfs/dbraw/zinc/17/43/63/554174363.db2.gz NAGPEELNXLWGNH-UHFFFAOYSA-N -1 1 665.985 10.184 50 30 KKEAMM COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)c(Br)c(Br)c1[O-] ZINC000100074907 554203794 /nfs/dbraw/zinc/20/37/94/554203794.db2.gz REVFAVMOCIBSCG-CCMFZTNCSA-N -1 1 552.288 6.472 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000053253943 554330247 /nfs/dbraw/zinc/33/02/47/554330247.db2.gz WJGKQJPFFPNBJA-QFIPXVFZSA-N -1 1 578.599 5.183 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053253940 554330445 /nfs/dbraw/zinc/33/04/45/554330445.db2.gz YZYKCKKKJRAPFR-JOCHJYFZSA-N -1 1 548.573 5.175 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053290448 554331079 /nfs/dbraw/zinc/33/10/79/554331079.db2.gz FNCDJMKOOIINBD-XMMPIXPASA-N -1 1 528.586 5.573 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053290448 554331083 /nfs/dbraw/zinc/33/10/83/554331083.db2.gz FNCDJMKOOIINBD-XMMPIXPASA-N -1 1 528.586 5.573 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000053290831 554331570 /nfs/dbraw/zinc/33/15/70/554331570.db2.gz ZZCXLASIVRQLDJ-MQNRADLISA-N -1 1 530.577 5.940 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053292184 554332274 /nfs/dbraw/zinc/33/22/74/554332274.db2.gz YTAGSVRILBNVHR-JOCHJYFZSA-N -1 1 519.420 6.459 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053305758 554332880 /nfs/dbraw/zinc/33/28/80/554332880.db2.gz RFCXRLLVQZFEHL-DEOSSOPVSA-N -1 1 563.473 6.857 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306188 554333550 /nfs/dbraw/zinc/33/35/50/554333550.db2.gz NMOBWLRIYNJCSL-HSZRJFAPSA-N -1 1 565.445 6.249 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053306736 554334342 /nfs/dbraw/zinc/33/43/42/554334342.db2.gz PVDVYESUWYMKMP-FQEVSTJZSA-N -1 1 571.449 5.491 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000053307522 554335073 /nfs/dbraw/zinc/33/50/73/554335073.db2.gz ZJDIFWPCSAKQJT-CBZJRKILSA-N -1 1 556.640 6.124 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053319111 554335911 /nfs/dbraw/zinc/33/59/11/554335911.db2.gz DIXSSDSCIGFTNR-OAQYLSRUSA-N -1 1 573.454 6.201 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053319103 554335925 /nfs/dbraw/zinc/33/59/25/554335925.db2.gz BDXQRTMYAOTZAV-QHCPKHFHSA-N -1 1 565.445 6.249 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053319166 554336317 /nfs/dbraw/zinc/33/63/17/554336317.db2.gz WCIAQGJKICSORI-OAQYLSRUSA-N -1 1 539.382 5.989 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000053319322 554337192 /nfs/dbraw/zinc/33/71/92/554337192.db2.gz GDUCWYFSNMPEPK-HXUWFJFHSA-N -1 1 527.346 6.120 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000053319425 554337849 /nfs/dbraw/zinc/33/78/49/554337849.db2.gz JVKTWESYXWRMPL-HHHXNRCGSA-N -1 1 526.545 5.362 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000053319425 554337851 /nfs/dbraw/zinc/33/78/51/554337851.db2.gz JVKTWESYXWRMPL-HHHXNRCGSA-N -1 1 526.545 5.362 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@H]2c2cccc(Cl)c2)s1 ZINC000053319416 554337955 /nfs/dbraw/zinc/33/79/55/554337955.db2.gz UCJDMNGQYMTCJU-XMMPIXPASA-N -1 1 532.021 6.170 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000053319486 554338354 /nfs/dbraw/zinc/33/83/54/554338354.db2.gz UQLBIMUIWPGYPC-RUZDIDTESA-N -1 1 527.602 5.525 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053331853 554338615 /nfs/dbraw/zinc/33/86/15/554338615.db2.gz PBCWJEKPUDEECZ-LJQANCHMSA-N -1 1 557.422 5.101 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053319532 554338641 /nfs/dbraw/zinc/33/86/41/554338641.db2.gz SPKSJKUFLQCGSW-NDEPHWFRSA-N -1 1 570.667 6.728 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053332523 554339074 /nfs/dbraw/zinc/33/90/74/554339074.db2.gz HDDYFAXHNWBCIC-LMKMVOKYSA-N -1 1 575.484 6.782 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000053334042 554339863 /nfs/dbraw/zinc/33/98/63/554339863.db2.gz UJSDQAAKPRUHAN-SGANQWHYSA-N -1 1 562.644 5.558 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000053334042 554339860 /nfs/dbraw/zinc/33/98/60/554339860.db2.gz UJSDQAAKPRUHAN-SGANQWHYSA-N -1 1 562.644 5.558 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053334848 554340069 /nfs/dbraw/zinc/34/00/69/554340069.db2.gz RBUXLOJJJWVURK-QHCPKHFHSA-N -1 1 565.445 6.167 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000053334291 554340122 /nfs/dbraw/zinc/34/01/22/554340122.db2.gz KDASUVYWBAVXPI-HHHXNRCGSA-N -1 1 572.639 6.038 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000053334291 554340126 /nfs/dbraw/zinc/34/01/26/554340126.db2.gz KDASUVYWBAVXPI-HHHXNRCGSA-N -1 1 572.639 6.038 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053334637 554340204 /nfs/dbraw/zinc/34/02/04/554340204.db2.gz CKYUGYJXNRDXAJ-RUZDIDTESA-N -1 1 528.586 5.476 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000053335301 554340593 /nfs/dbraw/zinc/34/05/93/554340593.db2.gz UQRHJUPLFOVOGR-XGCWNURASA-N -1 1 556.640 6.118 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053334875 554340650 /nfs/dbraw/zinc/34/06/50/554340650.db2.gz OFIDRYLABPJCDO-QMTYFTJSSA-N -1 1 559.043 6.621 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053334875 554340648 /nfs/dbraw/zinc/34/06/48/554340648.db2.gz OFIDRYLABPJCDO-QMTYFTJSSA-N -1 1 559.043 6.621 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000053335356 554341023 /nfs/dbraw/zinc/34/10/23/554341023.db2.gz GIJJZSCGUGKXFS-SANMLTNESA-N -1 1 528.630 6.357 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053335811 554341491 /nfs/dbraw/zinc/34/14/91/554341491.db2.gz XMKXQFOJCBBJPM-DEOSSOPVSA-N -1 1 559.556 5.157 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053336950 554341868 /nfs/dbraw/zinc/34/18/68/554341868.db2.gz YZQWXGBTXIVNCL-RUZDIDTESA-N -1 1 530.602 5.667 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2Cl)no1 ZINC000053337294 554342112 /nfs/dbraw/zinc/34/21/12/554342112.db2.gz VJYIEZPXDWIQCA-HXUWFJFHSA-N -1 1 550.236 6.824 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053337335 554342162 /nfs/dbraw/zinc/34/21/62/554342162.db2.gz ZRAXQZDUBVCINB-HHHXNRCGSA-N -1 1 591.085 6.929 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053337631 554342325 /nfs/dbraw/zinc/34/23/25/554342325.db2.gz WWYFWOHMVRIIKD-JMQGSBJISA-N -1 1 568.651 6.366 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000053338371 554342712 /nfs/dbraw/zinc/34/27/12/554342712.db2.gz JKHULBWXFFZRSE-NRFANRHFSA-N -1 1 552.992 5.002 50 30 KKEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053339023 554343108 /nfs/dbraw/zinc/34/31/08/554343108.db2.gz XTCCZDXGNQAXNB-MQNRADLISA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053339023 554343113 /nfs/dbraw/zinc/34/31/13/554343113.db2.gz XTCCZDXGNQAXNB-MQNRADLISA-N -1 1 547.032 6.455 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053339400 554343544 /nfs/dbraw/zinc/34/35/44/554343544.db2.gz RTPPTMPQGQICNF-QHCPKHFHSA-N -1 1 548.617 5.306 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053339400 554343547 /nfs/dbraw/zinc/34/35/47/554343547.db2.gz RTPPTMPQGQICNF-QHCPKHFHSA-N -1 1 548.617 5.306 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000053339795 554343927 /nfs/dbraw/zinc/34/39/27/554343927.db2.gz GIYFLKUFKSZEQG-XMMPIXPASA-N -1 1 533.005 6.121 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000053339795 554343931 /nfs/dbraw/zinc/34/39/31/554343931.db2.gz GIYFLKUFKSZEQG-XMMPIXPASA-N -1 1 533.005 6.121 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000053339792 554343963 /nfs/dbraw/zinc/34/39/63/554343963.db2.gz GIYFLKUFKSZEQG-DEOSSOPVSA-N -1 1 533.005 6.121 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000053339792 554343959 /nfs/dbraw/zinc/34/39/59/554343959.db2.gz GIYFLKUFKSZEQG-DEOSSOPVSA-N -1 1 533.005 6.121 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053340475 554344141 /nfs/dbraw/zinc/34/41/41/554344141.db2.gz UBQOWWKVWUFTFP-HXUWFJFHSA-N -1 1 525.449 6.520 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053340475 554344144 /nfs/dbraw/zinc/34/41/44/554344144.db2.gz UBQOWWKVWUFTFP-HXUWFJFHSA-N -1 1 525.449 6.520 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053340416 554344229 /nfs/dbraw/zinc/34/42/29/554344229.db2.gz HSOIHINZNUROPX-SANMLTNESA-N -1 1 542.657 6.784 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053340310 554344298 /nfs/dbraw/zinc/34/42/98/554344298.db2.gz DPURGZNHFPJVKS-DEOSSOPVSA-N -1 1 563.473 6.803 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000053340280 554344306 /nfs/dbraw/zinc/34/43/06/554344306.db2.gz MIDOXYGFHLEFGM-JOCHJYFZSA-N -1 1 539.396 6.157 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053340310 554344300 /nfs/dbraw/zinc/34/43/00/554344300.db2.gz DPURGZNHFPJVKS-DEOSSOPVSA-N -1 1 563.473 6.803 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000053354703 554344543 /nfs/dbraw/zinc/34/45/43/554344543.db2.gz UTCDYJPQTOCUSP-QHCPKHFHSA-N -1 1 526.814 6.593 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000053354703 554344547 /nfs/dbraw/zinc/34/45/47/554344547.db2.gz UTCDYJPQTOCUSP-QHCPKHFHSA-N -1 1 526.814 6.593 50 30 KKEAMM CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)cc(Br)c1[O-] ZINC000100486826 554402462 /nfs/dbraw/zinc/40/24/62/554402462.db2.gz CXZXASQSKSMJKL-QGZVFWFLSA-N -1 1 527.253 5.474 50 30 KKEAMM O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])c1)c1ccccc1Cl ZINC000100539783 554412814 /nfs/dbraw/zinc/41/28/14/554412814.db2.gz MUCLTIDWIHHPLR-WCMJOSRZSA-N -1 1 554.271 8.055 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100603415 554431817 /nfs/dbraw/zinc/43/18/17/554431817.db2.gz YOWZRGPUTJZTCG-HSZRJFAPSA-N -1 1 596.042 5.629 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000100675309 554443727 /nfs/dbraw/zinc/44/37/27/554443727.db2.gz GQABLEPHWICNLH-RUZDIDTESA-N -1 1 578.687 6.235 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccnc2)cc1 ZINC000100675301 554443739 /nfs/dbraw/zinc/44/37/39/554443739.db2.gz INMBTTKBVDBUSQ-QHCPKHFHSA-N -1 1 549.649 5.621 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000100677217 554444228 /nfs/dbraw/zinc/44/42/28/554444228.db2.gz KNLQZTPNQHSPAT-SFHVURJKSA-N -1 1 545.386 5.231 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000100677185 554444294 /nfs/dbraw/zinc/44/42/94/554444294.db2.gz LOODHLIENQRIPE-HSZRJFAPSA-N -1 1 566.607 5.432 50 30 KKEAMM CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100677708 554444722 /nfs/dbraw/zinc/44/47/22/554444722.db2.gz XHADWXOAZSAOOK-VWLOTQADSA-N -1 1 596.677 6.436 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100677770 554445084 /nfs/dbraw/zinc/44/50/84/554445084.db2.gz HPGVKSGTQRDQIH-HHHXNRCGSA-N -1 1 622.740 6.778 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100678912 554445251 /nfs/dbraw/zinc/44/52/51/554445251.db2.gz DGOZZONNNNBVAX-QFIPXVFZSA-N -1 1 552.580 5.042 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000100679374 554445265 /nfs/dbraw/zinc/44/52/65/554445265.db2.gz FJUVDQTVLAARHY-JOCHJYFZSA-N -1 1 599.503 6.353 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCC)c(OC)c2)nc1C ZINC000100680265 554445959 /nfs/dbraw/zinc/44/59/59/554445959.db2.gz HPHDYTUGASZSDQ-MUUNZHRXSA-N -1 1 634.751 6.944 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000100681104 554447231 /nfs/dbraw/zinc/44/72/31/554447231.db2.gz UTYNMPUDOPFQRZ-HHHXNRCGSA-N -1 1 598.677 6.992 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100681447 554447904 /nfs/dbraw/zinc/44/79/04/554447904.db2.gz VKGDIZSETHGCGZ-FQEVSTJZSA-N -1 1 561.418 6.332 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000100736786 554461120 /nfs/dbraw/zinc/46/11/20/554461120.db2.gz CQYZKEDBUOVUKB-JOCHJYFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000100736786 554461125 /nfs/dbraw/zinc/46/11/25/554461125.db2.gz CQYZKEDBUOVUKB-JOCHJYFZSA-N -1 1 536.606 5.127 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000100736806 554461174 /nfs/dbraw/zinc/46/11/74/554461174.db2.gz CDIYQVLWRRSKEX-JOCHJYFZSA-N -1 1 555.052 6.162 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)c(C)c1 ZINC000100736811 554461300 /nfs/dbraw/zinc/46/13/00/554461300.db2.gz ONXRNDKJBBSVJI-JOCHJYFZSA-N -1 1 555.052 6.162 50 30 KKEAMM CCCCCCCCOc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)c1 ZINC000100831914 554482635 /nfs/dbraw/zinc/48/26/35/554482635.db2.gz ZUMZIGPJZAOWOH-UHFFFAOYSA-N -1 1 540.682 6.253 50 30 KKEAMM CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)[O-] ZINC000064634199 554513372 /nfs/dbraw/zinc/51/33/72/554513372.db2.gz CDZVJFRXJAUXPP-AREMUKBSSA-O -1 1 610.746 6.017 50 30 in-vitro KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc(Br)cc1 ZINC000101062648 554570650 /nfs/dbraw/zinc/57/06/50/554570650.db2.gz AAIBVDHFKMEHPP-MOBKVPTQSA-N -1 1 533.403 6.324 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(Br)c1)c1ccc(Br)cc1 ZINC000101062639 554570662 /nfs/dbraw/zinc/57/06/62/554570662.db2.gz BYRHBTWSPKHJIC-UYTDBDHRSA-N -1 1 520.202 5.294 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000101069846 554574306 /nfs/dbraw/zinc/57/43/06/554574306.db2.gz FOYREWVESLLDKG-NHFXJNLRSA-N -1 1 558.182 5.746 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000101095607 554584671 /nfs/dbraw/zinc/58/46/71/554584671.db2.gz DEBLTMZBYLFYNN-YDJIHCHBSA-N -1 1 509.356 5.824 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)o1 ZINC000101100228 554587123 /nfs/dbraw/zinc/58/71/23/554587123.db2.gz KZFIELPOPURQBO-LFVOPCPISA-N -1 1 513.344 5.726 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OCC)nc1C ZINC000101276759 554702911 /nfs/dbraw/zinc/70/29/11/554702911.db2.gz ZRMGULIZLKLAGO-AYWGPLOBSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2OCC)nc1C ZINC000101276759 554702913 /nfs/dbraw/zinc/70/29/13/554702913.db2.gz ZRMGULIZLKLAGO-AYWGPLOBSA-N -1 1 548.617 5.136 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276804 554703281 /nfs/dbraw/zinc/70/32/81/554703281.db2.gz WWZXNUYCGMYIBV-JLPDLQRYSA-N -1 1 602.709 6.169 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276804 554703284 /nfs/dbraw/zinc/70/32/84/554703284.db2.gz WWZXNUYCGMYIBV-JLPDLQRYSA-N -1 1 602.709 6.169 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000101277260 554703519 /nfs/dbraw/zinc/70/35/19/554703519.db2.gz QNTISAPCPDVSGC-JBCNATCCSA-N -1 1 573.454 6.044 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000101277581 554704019 /nfs/dbraw/zinc/70/40/19/554704019.db2.gz IJXORONBYHLPQB-MRJHHRETSA-N -1 1 583.460 5.500 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000101277838 554704235 /nfs/dbraw/zinc/70/42/35/554704235.db2.gz ZAPIVHLAAULHRM-AYWGPLOBSA-N -1 1 532.618 5.300 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000101278204 554704808 /nfs/dbraw/zinc/70/48/08/554704808.db2.gz HFJKDMCTYSDKKG-JBCNATCCSA-N -1 1 583.460 5.500 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000101278267 554704878 /nfs/dbraw/zinc/70/48/78/554704878.db2.gz LYCUUFSXCMGENA-UUALVTFQSA-N -1 1 625.659 6.216 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccccc2)nc1C ZINC000101278476 554705031 /nfs/dbraw/zinc/70/50/31/554705031.db2.gz GZSQLMIDJQQUCQ-UUALVTFQSA-N -1 1 580.662 6.308 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccccc2)nc1C ZINC000101278476 554705032 /nfs/dbraw/zinc/70/50/32/554705032.db2.gz GZSQLMIDJQQUCQ-UUALVTFQSA-N -1 1 580.662 6.308 50 30 KKEAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000101292554 554709212 /nfs/dbraw/zinc/70/92/12/554709212.db2.gz JGWYHGYYMGZMIB-OAQYLSRUSA-N -1 1 526.489 6.878 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294351 554711214 /nfs/dbraw/zinc/71/12/14/554711214.db2.gz GZILASWIQHQPMP-UUALVTFQSA-N -1 1 570.623 5.657 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294351 554711216 /nfs/dbraw/zinc/71/12/16/554711216.db2.gz GZILASWIQHQPMP-UUALVTFQSA-N -1 1 570.623 5.657 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101299762 554713264 /nfs/dbraw/zinc/71/32/64/554713264.db2.gz IWAUXYIKNSLHME-CJJGVWJISA-N -1 1 542.613 5.813 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000101310246 554717208 /nfs/dbraw/zinc/71/72/08/554717208.db2.gz JOGWWNRRUDBNSK-OGHRCCBNSA-N -1 1 590.654 5.151 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000101310246 554717209 /nfs/dbraw/zinc/71/72/09/554717209.db2.gz JOGWWNRRUDBNSK-OGHRCCBNSA-N -1 1 590.654 5.151 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313263 554721687 /nfs/dbraw/zinc/72/16/87/554721687.db2.gz URPRUANNOLVLLZ-CJJGVWJISA-N -1 1 526.614 6.113 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313477 554721861 /nfs/dbraw/zinc/72/18/61/554721861.db2.gz JVRMZLKKRZTCEV-IUKMQXEJSA-N -1 1 512.587 5.804 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000101313728 554722159 /nfs/dbraw/zinc/72/21/59/554722159.db2.gz YLCDUJXVEBOAGL-HTUFKCTLSA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000101313728 554722161 /nfs/dbraw/zinc/72/21/61/554722161.db2.gz YLCDUJXVEBOAGL-HTUFKCTLSA-N -1 1 559.043 6.464 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101316537 554723579 /nfs/dbraw/zinc/72/35/79/554723579.db2.gz UWQIMHXEIRGFHI-CZNAVJSXSA-N -1 1 542.613 5.813 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC(=O)c4ccccc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000101337932 554734497 /nfs/dbraw/zinc/73/44/97/554734497.db2.gz UHAWFSTZUVECJM-QHCPKHFHSA-N -1 1 578.071 5.958 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000101338197 554734788 /nfs/dbraw/zinc/73/47/88/554734788.db2.gz YYEMOEGOSQKSLT-QFIPXVFZSA-N -1 1 597.049 6.622 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000101344372 554736671 /nfs/dbraw/zinc/73/66/71/554736671.db2.gz YGYWGDHMQINBPQ-AREMUKBSSA-N -1 1 612.664 7.122 50 30 KKEAMM COc1ccc(OC)c([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101376385 554746320 /nfs/dbraw/zinc/74/63/20/554746320.db2.gz NRYJBCQCHAOKQV-JOCHJYFZSA-N -1 1 538.069 5.933 50 30 KKEAMM CCCCCCCCCCCCCCCCn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1[O-] ZINC000101383684 554748759 /nfs/dbraw/zinc/74/87/59/554748759.db2.gz CLXAOMBLNHLFBP-UHFFFAOYSA-N -1 1 621.502 10.360 50 30 KKEAMM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccc(Cl)cc3Cl)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000101414788 554764376 /nfs/dbraw/zinc/76/43/76/554764376.db2.gz DXHOWJCSQFGWSF-YLKCYHHESA-N -1 1 570.237 6.148 50 30 KKEAMM CCCCc1c/c(=N\OC(=O)[C@H]([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3 ZINC000101484551 554785348 /nfs/dbraw/zinc/78/53/48/554785348.db2.gz XEGDQNXNRMIFSG-GLDGAQJLSA-N -1 1 628.791 7.190 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000101975103 554862889 /nfs/dbraw/zinc/86/28/89/554862889.db2.gz QZUXAACEWRERPR-SANMLTNESA-N -1 1 613.648 6.207 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102076812 554875180 /nfs/dbraw/zinc/87/51/80/554875180.db2.gz RZOFFHVNBCATOK-IUKMQXEJSA-N -1 1 562.644 5.477 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)ccc1O ZINC000102175794 554892263 /nfs/dbraw/zinc/89/22/63/554892263.db2.gz JYZJLSJPXURMPI-RUZDIDTESA-N -1 1 543.601 5.231 50 30 KKEAMM CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cc(Br)cc(Br)c4[O-])c3c2C1 ZINC000102304480 554908904 /nfs/dbraw/zinc/90/89/04/554908904.db2.gz AGSYYQMKPICIEZ-JKJOSHCESA-N -1 1 552.336 6.909 50 30 KKEAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccccc1F ZINC000102412578 554923921 /nfs/dbraw/zinc/92/39/21/554923921.db2.gz AWRFTRMLQHGDQS-HSZRJFAPSA-N -1 1 598.519 7.376 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000102483287 554937683 /nfs/dbraw/zinc/93/76/83/554937683.db2.gz NQPQSYRUCWQEEP-NHFXJNLRSA-N -1 1 502.832 5.893 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102484095 554937859 /nfs/dbraw/zinc/93/78/59/554937859.db2.gz UPONJHGEEXOERW-MOBKVPTQSA-N -1 1 508.958 6.114 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102484698 554937956 /nfs/dbraw/zinc/93/79/56/554937956.db2.gz IICPQWDKFWIODD-WOOAAIBNSA-N -1 1 511.353 5.287 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102485547 554938269 /nfs/dbraw/zinc/93/82/69/554938269.db2.gz KMJLJGIWKIUUCZ-KQAPWQHSSA-N -1 1 514.603 5.947 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102486048 554938337 /nfs/dbraw/zinc/93/83/37/554938337.db2.gz JWJQISJDCVJMOK-UUALVTFQSA-N -1 1 582.678 6.314 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102490390 554939149 /nfs/dbraw/zinc/93/91/49/554939149.db2.gz IFSVEJQOOGPGNA-MOBKVPTQSA-N -1 1 501.520 5.230 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102493831 554940028 /nfs/dbraw/zinc/94/00/28/554940028.db2.gz RYDSOYNSHYUJCO-HOGKFDNTSA-N -1 1 535.419 6.002 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102493831 554940032 /nfs/dbraw/zinc/94/00/32/554940032.db2.gz RYDSOYNSHYUJCO-HOGKFDNTSA-N -1 1 535.419 6.002 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000102497976 554941352 /nfs/dbraw/zinc/94/13/52/554941352.db2.gz LOIUCDARSFSYJN-NXLSWJSLSA-N -1 1 500.576 5.638 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102502500 554943663 /nfs/dbraw/zinc/94/36/63/554943663.db2.gz BLOZCFPKXTZERA-AYWGPLOBSA-N -1 1 504.539 5.469 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)c(OC)c1 ZINC000102502656 554943754 /nfs/dbraw/zinc/94/37/54/554943754.db2.gz BEMHMNKFXPRXLU-MOBKVPTQSA-N -1 1 541.398 5.378 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102504703 554944375 /nfs/dbraw/zinc/94/43/75/554944375.db2.gz DVLUUJZKYXPGNG-ZHHPLPSFSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102504703 554944377 /nfs/dbraw/zinc/94/43/77/554944377.db2.gz DVLUUJZKYXPGNG-ZHHPLPSFSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102505729 554944598 /nfs/dbraw/zinc/94/45/98/554944598.db2.gz GQMPXPGLADPHRC-ZHHPLPSFSA-N -1 1 520.994 5.902 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102505729 554944600 /nfs/dbraw/zinc/94/46/00/554944600.db2.gz GQMPXPGLADPHRC-ZHHPLPSFSA-N -1 1 520.994 5.902 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102506280 554944645 /nfs/dbraw/zinc/94/46/45/554944645.db2.gz SVUVZNLURIASHK-JBCNATCCSA-N -1 1 555.837 6.347 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102511386 554946296 /nfs/dbraw/zinc/94/62/96/554946296.db2.gz DGSMMBFXUXDZHG-MRJHHRETSA-N -1 1 520.588 5.169 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102513226 554947009 /nfs/dbraw/zinc/94/70/09/554947009.db2.gz DMCVBSVKLXTYOS-ZZIWUOEGSA-N -1 1 502.567 6.077 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102515566 554947932 /nfs/dbraw/zinc/94/79/32/554947932.db2.gz GOOCINJRHRLROQ-AYWGPLOBSA-N -1 1 520.994 5.983 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102520403 554949361 /nfs/dbraw/zinc/94/93/61/554949361.db2.gz GRMNGARPKSKEOI-AYWGPLOBSA-N -1 1 549.004 5.761 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102520616 554949558 /nfs/dbraw/zinc/94/95/58/554949558.db2.gz WVYJHNJDLOUMPO-JBCNATCCSA-N -1 1 539.382 5.833 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102520648 554949636 /nfs/dbraw/zinc/94/96/36/554949636.db2.gz KMZXHCQTRVZDBW-HOGKFDNTSA-N -1 1 502.523 5.157 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102521244 554949659 /nfs/dbraw/zinc/94/96/59/554949659.db2.gz CMBMYBJONFESQO-HOGKFDNTSA-N -1 1 536.993 5.602 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102521252 554949726 /nfs/dbraw/zinc/94/97/26/554949726.db2.gz CMBMYBJONFESQO-MOBKVPTQSA-N -1 1 536.993 5.602 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102524260 554950947 /nfs/dbraw/zinc/95/09/47/554950947.db2.gz WSCNTAAMCPGBGI-YDJIHCHBSA-N -1 1 541.448 6.145 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000102526414 554952190 /nfs/dbraw/zinc/95/21/90/554952190.db2.gz XGQYZFAVKRWBME-LFVOPCPISA-N -1 1 547.416 5.488 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102532741 554954451 /nfs/dbraw/zinc/95/44/51/554954451.db2.gz 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/nfs/dbraw/zinc/95/53/78/554955378.db2.gz HUZMCFJHUIYIAF-CJJGVWJISA-N -1 1 568.651 6.142 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102537593 554956206 /nfs/dbraw/zinc/95/62/06/554956206.db2.gz ZGZORVXKWOMSQM-ZHHPLPSFSA-N -1 1 596.042 5.472 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102541350 554957594 /nfs/dbraw/zinc/95/75/94/554957594.db2.gz QARIVOAGAJVOST-AYWGPLOBSA-N -1 1 515.547 5.538 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102541350 554957597 /nfs/dbraw/zinc/95/75/97/554957597.db2.gz QARIVOAGAJVOST-AYWGPLOBSA-N -1 1 515.547 5.538 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102542573 554957885 /nfs/dbraw/zinc/95/78/85/554957885.db2.gz NGYUFHBJZIYKQB-HOGKFDNTSA-N -1 1 535.419 6.084 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102546667 554959523 /nfs/dbraw/zinc/95/95/23/554959523.db2.gz QMJJHSVWTXLMMS-HALAOQOWSA-N -1 1 517.006 6.208 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102547534 554959945 /nfs/dbraw/zinc/95/99/45/554959945.db2.gz RHDNGQLAVGJGME-ZTLVYLBESA-N -1 1 541.585 5.771 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102549327 554960764 /nfs/dbraw/zinc/96/07/64/554960764.db2.gz IABWBCMZBFEZJH-YJMWBXFMSA-N -1 1 627.788 7.267 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102549593 554961087 /nfs/dbraw/zinc/96/10/87/554961087.db2.gz CCORQXNYEIIRKI-AYWGPLOBSA-N -1 1 553.423 6.309 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102552964 554962795 /nfs/dbraw/zinc/96/27/95/554962795.db2.gz BFAWFCZXXIBMCL-VGZNNGDKSA-N -1 1 598.721 7.070 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102552978 554962837 /nfs/dbraw/zinc/96/28/37/554962837.db2.gz SRMCSQULUMKDJZ-HOGKFDNTSA-N -1 1 551.349 5.160 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102552636 554962856 /nfs/dbraw/zinc/96/28/56/554962856.db2.gz FCVZALRKEHZLCE-CZNAVJSXSA-N -1 1 514.509 5.336 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102554077 554963366 /nfs/dbraw/zinc/96/33/66/554963366.db2.gz MFIOCYLUGPBFDX-NXLSVDECSA-N -1 1 614.720 6.832 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102554411 554963735 /nfs/dbraw/zinc/96/37/35/554963735.db2.gz SIBMBKMCRRABMQ-CZNAVJSXSA-N -1 1 528.630 6.372 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000102555371 554964091 /nfs/dbraw/zinc/96/40/91/554964091.db2.gz PSTWANZAFPUTRX-CJJGVWJISA-N -1 1 586.641 6.281 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000102556595 554964745 /nfs/dbraw/zinc/96/47/45/554964745.db2.gz BVMMYNSCTIIXLV-HOGKFDNTSA-N -1 1 539.396 6.001 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102557064 554964902 /nfs/dbraw/zinc/96/49/02/554964902.db2.gz JBXMZPWYVMVXPR-FLJNSMSWSA-N -1 1 602.684 6.963 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102557064 554964904 /nfs/dbraw/zinc/96/49/04/554964904.db2.gz JBXMZPWYVMVXPR-FLJNSMSWSA-N -1 1 602.684 6.963 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000102556603 554964953 /nfs/dbraw/zinc/96/49/53/554964953.db2.gz BVMMYNSCTIIXLV-MOBKVPTQSA-N -1 1 539.396 6.001 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102558597 554965839 /nfs/dbraw/zinc/96/58/39/554965839.db2.gz QHEKTAGIIFEHHU-WGGXKBPPSA-N -1 1 616.692 6.280 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102558380 554965909 /nfs/dbraw/zinc/96/59/09/554965909.db2.gz AFCBXSBZWIIEOU-FECHNCLXSA-N -1 1 520.969 6.039 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102559851 554967253 /nfs/dbraw/zinc/96/72/53/554967253.db2.gz ITVQGEYQNUMPBG-BFLOGMOSSA-N -1 1 585.707 6.097 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(O)cc3)s2)cc1 ZINC000102560131 554967648 /nfs/dbraw/zinc/96/76/48/554967648.db2.gz SQKTUCBMBBYLFU-YDJIHCHBSA-N -1 1 505.577 5.064 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102561419 554968270 /nfs/dbraw/zinc/96/82/70/554968270.db2.gz ICJBSHULJCAZFF-DDLSXHCZSA-N -1 1 598.721 7.132 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102563548 554969138 /nfs/dbraw/zinc/96/91/38/554969138.db2.gz YXEUHKLEMZFMIR-CZNAVJSXSA-N -1 1 558.612 5.410 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102581540 554972540 /nfs/dbraw/zinc/97/25/40/554972540.db2.gz HIIWMOVEWZBIAO-FSDXSRJSSA-N -1 1 589.670 5.928 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102592494 554974256 /nfs/dbraw/zinc/97/42/56/554974256.db2.gz UUTAFOWEYWXXED-CJJGVWJISA-N -1 1 601.706 5.935 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102600587 554977627 /nfs/dbraw/zinc/97/76/27/554977627.db2.gz TYYVOUWXXDTTBI-DFXXOVSGSA-N -1 1 629.760 6.797 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102601676 554977970 /nfs/dbraw/zinc/97/79/70/554977970.db2.gz SBDFHBPLNOGZTP-WGGXKBPPSA-N -1 1 626.687 6.029 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000102602808 554978157 /nfs/dbraw/zinc/97/81/57/554978157.db2.gz PMEKKOHHBFCNGD-DFXXOVSGSA-N -1 1 623.712 6.390 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102606176 554978984 /nfs/dbraw/zinc/97/89/84/554978984.db2.gz KWYMGPGDZMEXFC-YHAMSUFESA-N -1 1 544.604 6.331 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102606176 554978986 /nfs/dbraw/zinc/97/89/86/554978986.db2.gz KWYMGPGDZMEXFC-YHAMSUFESA-N -1 1 544.604 6.331 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606147 554979016 /nfs/dbraw/zinc/97/90/16/554979016.db2.gz LXCINZNOEVGMHD-QLXKLKPCSA-N -1 1 563.676 5.921 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606147 554979017 /nfs/dbraw/zinc/97/90/17/554979017.db2.gz LXCINZNOEVGMHD-QLXKLKPCSA-N -1 1 563.676 5.921 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1OC ZINC000102607083 554979823 /nfs/dbraw/zinc/97/98/23/554979823.db2.gz SZXZGOZNSLRECO-CJJGVWJISA-N -1 1 542.613 5.674 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102610854 554980838 /nfs/dbraw/zinc/98/08/38/554980838.db2.gz CLGRYCDXHRLMKM-UUALVTFQSA-N -1 1 572.639 5.881 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102610854 554980839 /nfs/dbraw/zinc/98/08/39/554980839.db2.gz CLGRYCDXHRLMKM-UUALVTFQSA-N -1 1 572.639 5.881 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102617546 554984855 /nfs/dbraw/zinc/98/48/55/554984855.db2.gz SGRFFHXBPPMVAC-ZHHPLPSFSA-N -1 1 579.606 5.506 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102620297 554986570 /nfs/dbraw/zinc/98/65/70/554986570.db2.gz FAZSKDWBEDZTMD-NXLSWJSLSA-N -1 1 619.652 5.154 50 30 KKEAMM CCCCCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000102629783 554989155 /nfs/dbraw/zinc/98/91/55/554989155.db2.gz RLWHZODLAZUYLG-UHFFFAOYSA-N -1 1 597.623 8.271 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102650908 554995597 /nfs/dbraw/zinc/99/55/97/554995597.db2.gz DWXADWUZUJCYGA-LAOGWUEASA-N -1 1 540.641 6.262 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102651333 554995867 /nfs/dbraw/zinc/99/58/67/554995867.db2.gz RHDNGQLAVGJGME-RKQXULEVSA-N -1 1 541.585 5.771 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102652057 554996531 /nfs/dbraw/zinc/99/65/31/554996531.db2.gz ABRLQZFVXMEBCH-XLNMUAQOSA-N -1 1 565.420 6.148 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102652276 554996538 /nfs/dbraw/zinc/99/65/38/554996538.db2.gz DTHIODGYPLTDIV-NYFCFKJUSA-N -1 1 600.693 6.442 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102652417 554996580 /nfs/dbraw/zinc/99/65/80/554996580.db2.gz UFNUIJGCQJZVHC-DFXXOVSGSA-N -1 1 570.667 6.571 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102652700 554996887 /nfs/dbraw/zinc/99/68/87/554996887.db2.gz NDLPCZAVICQZPR-CJJGVWJISA-N -1 1 604.681 5.761 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102653069 554997171 /nfs/dbraw/zinc/99/71/71/554997171.db2.gz LNHZPCFIJGPVSW-VMFRQMAUSA-N -1 1 554.668 6.733 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102653489 554997182 /nfs/dbraw/zinc/99/71/82/554997182.db2.gz RWQQUWIIFFJOOS-QBTYMPIYSA-N -1 1 590.698 6.181 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102653489 554997183 /nfs/dbraw/zinc/99/71/83/554997183.db2.gz RWQQUWIIFFJOOS-QBTYMPIYSA-N -1 1 590.698 6.181 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102654653 554997755 /nfs/dbraw/zinc/99/77/55/554997755.db2.gz MESFOXYNDGTVDM-ROBPHKHBSA-N -1 1 540.641 6.343 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102654612 554997797 /nfs/dbraw/zinc/99/77/97/554997797.db2.gz GKFCYGSISOMEGX-OFNYXUPYSA-N -1 1 569.639 5.384 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102655698 554998308 /nfs/dbraw/zinc/99/83/08/554998308.db2.gz BNMMBKYWTOHHDV-RGKNCCAESA-N -1 1 586.666 5.889 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000102655918 554998720 /nfs/dbraw/zinc/99/87/20/554998720.db2.gz ZHRRITAEDLOUBC-ZSTRNPGISA-N -1 1 622.674 6.973 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000102655918 554998722 /nfs/dbraw/zinc/99/87/22/554998722.db2.gz ZHRRITAEDLOUBC-ZSTRNPGISA-N -1 1 622.674 6.973 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000102665704 555001689 /nfs/dbraw/zinc/00/16/89/555001689.db2.gz MJECKADPLYITDS-IYGWJSLMSA-N -1 1 504.608 5.662 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102671209 555002626 /nfs/dbraw/zinc/00/26/26/555002626.db2.gz IGHWROWUBAYKIH-HALAOQOWSA-N -1 1 594.089 6.573 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102673380 555003069 /nfs/dbraw/zinc/00/30/69/555003069.db2.gz IHAFYXDHGXPMTC-BBHOXHGRSA-N -1 1 592.098 6.139 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000102681682 555005805 /nfs/dbraw/zinc/00/58/05/555005805.db2.gz KADWAWDAJPMILK-NSUOQXISSA-N -1 1 611.445 5.862 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102690265 555008010 /nfs/dbraw/zinc/00/80/10/555008010.db2.gz AVBKNRREHSGCDE-SBXHHDGASA-N -1 1 519.022 6.537 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102690265 555008013 /nfs/dbraw/zinc/00/80/13/555008013.db2.gz AVBKNRREHSGCDE-SBXHHDGASA-N -1 1 519.022 6.537 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102691537 555008615 /nfs/dbraw/zinc/00/86/15/555008615.db2.gz VVXSKCZHYOYEPH-IUKMQXEJSA-N -1 1 530.602 5.565 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102694668 555009721 /nfs/dbraw/zinc/00/97/21/555009721.db2.gz QVRLYDBQUUSADW-AYWGPLOBSA-N -1 1 535.021 6.156 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102694668 555009724 /nfs/dbraw/zinc/00/97/24/555009724.db2.gz QVRLYDBQUUSADW-AYWGPLOBSA-N -1 1 535.021 6.156 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102696150 555011182 /nfs/dbraw/zinc/01/11/82/555011182.db2.gz KULKPSJHOUBNRM-ZHHPLPSFSA-N -1 1 516.550 5.411 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102699294 555012437 /nfs/dbraw/zinc/01/24/37/555012437.db2.gz MCRPZUYMIDHYMF-AYWGPLOBSA-N -1 1 534.590 5.412 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102700148 555012691 /nfs/dbraw/zinc/01/26/91/555012691.db2.gz MQJCMPFZYBETQB-MOBKVPTQSA-N -1 1 502.548 5.173 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102701784 555013172 /nfs/dbraw/zinc/01/31/72/555013172.db2.gz GJIUGFBHMRLOCA-NHFXJNLRSA-N -1 1 525.449 6.309 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102705120 555014346 /nfs/dbraw/zinc/01/43/46/555014346.db2.gz OITIKPXFWDJUST-ZHHPLPSFSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102705120 555014347 /nfs/dbraw/zinc/01/43/47/555014347.db2.gz OITIKPXFWDJUST-ZHHPLPSFSA-N -1 1 504.539 5.387 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102706162 555014609 /nfs/dbraw/zinc/01/46/09/555014609.db2.gz PAYNYEPXUNPBGQ-IUKMQXEJSA-N -1 1 514.622 6.922 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000102706526 555015096 /nfs/dbraw/zinc/01/50/96/555015096.db2.gz ZAANQVHICSCWLU-UVDRRRQGSA-N -1 1 519.022 6.510 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102707122 555015353 /nfs/dbraw/zinc/01/53/53/555015353.db2.gz ZFULHIDTPGZWOL-HOGKFDNTSA-N -1 1 519.420 6.248 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC(C)C)cc2)cc1C ZINC000102707339 555015394 /nfs/dbraw/zinc/01/53/94/555015394.db2.gz UIOFJKRFXBLIFH-CJJGVWJISA-N -1 1 528.630 6.335 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102709608 555016073 /nfs/dbraw/zinc/01/60/73/555016073.db2.gz ILGWGLBQMURWDJ-CJJGVWJISA-N -1 1 544.629 6.037 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102709613 555016173 /nfs/dbraw/zinc/01/61/73/555016173.db2.gz ILGWGLBQMURWDJ-CZNAVJSXSA-N -1 1 544.629 6.037 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102714872 555018254 /nfs/dbraw/zinc/01/82/54/555018254.db2.gz HRFMLMPHJCJJCS-IUKMQXEJSA-N -1 1 549.048 6.546 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102714872 555018255 /nfs/dbraw/zinc/01/82/55/555018255.db2.gz HRFMLMPHJCJJCS-IUKMQXEJSA-N -1 1 549.048 6.546 50 30 KKEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000102715435 555018510 /nfs/dbraw/zinc/01/85/10/555018510.db2.gz BVADPLZXZFIZOP-MOBKVPTQSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000102715435 555018514 /nfs/dbraw/zinc/01/85/14/555018514.db2.gz BVADPLZXZFIZOP-MOBKVPTQSA-N -1 1 501.520 5.148 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102719868 555019916 /nfs/dbraw/zinc/01/99/16/555019916.db2.gz RXTFSBGPLYOTFJ-HOGKFDNTSA-N -1 1 503.511 5.532 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000102719907 555019921 /nfs/dbraw/zinc/01/99/21/555019921.db2.gz VHWMRZFNTWMMQW-KQAPWQHSSA-N -1 1 530.602 5.565 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102726153 555021922 /nfs/dbraw/zinc/02/19/22/555021922.db2.gz QUQBOCDOFIIELX-CJJGVWJISA-N -1 1 528.630 6.337 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102729771 555023300 /nfs/dbraw/zinc/02/33/00/555023300.db2.gz WTAUAHWCVXPIRZ-AYWGPLOBSA-N -1 1 549.446 6.256 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102729771 555023301 /nfs/dbraw/zinc/02/33/01/555023301.db2.gz WTAUAHWCVXPIRZ-AYWGPLOBSA-N -1 1 549.446 6.256 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102730832 555023563 /nfs/dbraw/zinc/02/35/63/555023563.db2.gz KOSGXLGFYKICPH-CJJGVWJISA-N -1 1 512.631 6.581 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102734128 555024587 /nfs/dbraw/zinc/02/45/87/555024587.db2.gz WIUSWSXXNPMSNI-CZNAVJSXSA-N -1 1 528.630 6.337 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000102735503 555025498 /nfs/dbraw/zinc/02/54/98/555025498.db2.gz SZBRRYZANGIISY-AZIATFRCSA-N -1 1 602.712 7.442 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102735372 555025559 /nfs/dbraw/zinc/02/55/59/555025559.db2.gz SLTVRYFZNNNOIL-ZHHPLPSFSA-N -1 1 518.566 5.641 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102735372 555025562 /nfs/dbraw/zinc/02/55/62/555025562.db2.gz 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C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770861 555058504 /nfs/dbraw/zinc/05/85/04/555058504.db2.gz IGBOMNQGXZSGGH-SSELITHESA-N -1 1 559.087 7.197 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102770922 555058687 /nfs/dbraw/zinc/05/86/87/555058687.db2.gz RLIBNWNQZBNIAR-SSELITHESA-N -1 1 545.060 7.023 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102770987 555059094 /nfs/dbraw/zinc/05/90/94/555059094.db2.gz TVEJMXCEMCTENZ-FZIYRNTBSA-N -1 1 601.725 7.043 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102770987 555059095 /nfs/dbraw/zinc/05/90/95/555059095.db2.gz TVEJMXCEMCTENZ-FZIYRNTBSA-N -1 1 601.725 7.043 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102770963 555059106 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C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771286 555059989 /nfs/dbraw/zinc/05/99/89/555059989.db2.gz UHFASTFAGTWKTI-XLNMUAQOSA-N -1 1 520.969 6.039 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771281 555060039 /nfs/dbraw/zinc/06/00/39/555060039.db2.gz UHFASTFAGTWKTI-FECHNCLXSA-N -1 1 520.969 6.039 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102771462 555060343 /nfs/dbraw/zinc/06/03/43/555060343.db2.gz OMHTWCZUVRDPNT-RPUIFAKWSA-N -1 1 559.644 5.919 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102771336 555060369 /nfs/dbraw/zinc/06/03/69/555060369.db2.gz SLNZQTBQQJFPDY-AIKCTZLLSA-N -1 1 527.558 5.463 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102771332 555060407 /nfs/dbraw/zinc/06/04/07/555060407.db2.gz 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/nfs/dbraw/zinc/08/87/87/555088787.db2.gz FYTXPZJUMOYDFS-NPJIAGGLSA-N -1 1 576.627 5.356 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102859268 555089809 /nfs/dbraw/zinc/08/98/09/555089809.db2.gz LZBGQOWQAMAEGA-ZZIWUOEGSA-N -1 1 565.047 6.219 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102859268 555089811 /nfs/dbraw/zinc/08/98/11/555089811.db2.gz LZBGQOWQAMAEGA-ZZIWUOEGSA-N -1 1 565.047 6.219 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102861603 555091481 /nfs/dbraw/zinc/09/14/81/555091481.db2.gz KTAKARHYGNUMAE-BUANBSPESA-N -1 1 549.446 6.311 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102862380 555092247 /nfs/dbraw/zinc/09/22/47/555092247.db2.gz NUUWVHORENNYLX-CZNAVJSXSA-N -1 1 542.657 6.627 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102862917 555092479 /nfs/dbraw/zinc/09/24/79/555092479.db2.gz WKVMJSURXHXLKT-ZHHPLPSFSA-N -1 1 504.558 6.498 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102862917 555092483 /nfs/dbraw/zinc/09/24/83/555092483.db2.gz WKVMJSURXHXLKT-ZHHPLPSFSA-N -1 1 504.558 6.498 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102863372 555093301 /nfs/dbraw/zinc/09/33/01/555093301.db2.gz DLWZBESOHXRPLD-CJJGVWJISA-N -1 1 542.657 6.627 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102864382 555093903 /nfs/dbraw/zinc/09/39/03/555093903.db2.gz HRTORXYUFLOANO-HOGKFDNTSA-N -1 1 551.418 5.702 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102864971 555094441 /nfs/dbraw/zinc/09/44/41/555094441.db2.gz VLTBVFSREKTOCZ-HOGKFDNTSA-N -1 1 506.352 5.252 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102864971 555094444 /nfs/dbraw/zinc/09/44/44/555094444.db2.gz VLTBVFSREKTOCZ-HOGKFDNTSA-N -1 1 506.352 5.252 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102864751 555094655 /nfs/dbraw/zinc/09/46/55/555094655.db2.gz UNLDCJSWLSDBCW-NXLSWJSLSA-N -1 1 551.020 5.992 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102866147 555095416 /nfs/dbraw/zinc/09/54/16/555095416.db2.gz QLUCNWSWLUOVMS-QMMFTLRZSA-N -1 1 630.719 6.670 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102866147 555095419 /nfs/dbraw/zinc/09/54/19/555095419.db2.gz QLUCNWSWLUOVMS-QMMFTLRZSA-N -1 1 630.719 6.670 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102867042 555096368 /nfs/dbraw/zinc/09/63/68/555096368.db2.gz FOPJYARJLDLORN-FPRSLYQBSA-N -1 1 570.667 6.352 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102866873 555096430 /nfs/dbraw/zinc/09/64/30/555096430.db2.gz AHEMDIMHMSFVOL-HTUFKCTLSA-N -1 1 542.613 5.653 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102867044 555096466 /nfs/dbraw/zinc/09/64/66/555096466.db2.gz FOPJYARJLDLORN-WKUSSTJHSA-N -1 1 570.667 6.352 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102867323 555096739 /nfs/dbraw/zinc/09/67/39/555096739.db2.gz INOQUTBQBYJUQU-IUKMQXEJSA-N -1 1 528.586 5.401 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102869682 555099398 /nfs/dbraw/zinc/09/93/98/555099398.db2.gz WKBVHZAVEIJZDT-KNZGKXHUSA-N -1 1 577.456 6.017 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102869896 555099816 /nfs/dbraw/zinc/09/98/16/555099816.db2.gz MJIBKGXUHNYANO-MIOXIQPJSA-N -1 1 624.759 7.439 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102871305 555101973 /nfs/dbraw/zinc/10/19/73/555101973.db2.gz XJOPMKQSRQCJPX-RPUIFAKWSA-N -1 1 562.644 5.367 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102871305 555101976 /nfs/dbraw/zinc/10/19/76/555101976.db2.gz XJOPMKQSRQCJPX-RPUIFAKWSA-N -1 1 562.644 5.367 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102872745 555103192 /nfs/dbraw/zinc/10/31/92/555103192.db2.gz CGKLBWYMUDFPHU-GHNGSUTGSA-N -1 1 500.935 5.047 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102873290 555103806 /nfs/dbraw/zinc/10/38/06/555103806.db2.gz LKYVNJIAFDSEGD-AYWGPLOBSA-N -1 1 551.020 5.910 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102873290 555103807 /nfs/dbraw/zinc/10/38/07/555103807.db2.gz LKYVNJIAFDSEGD-AYWGPLOBSA-N -1 1 551.020 5.910 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102873797 555104025 /nfs/dbraw/zinc/10/40/25/555104025.db2.gz ADSHLROOOJUMMC-LFVOPCPISA-N -1 1 517.415 6.300 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102875364 555105247 /nfs/dbraw/zinc/10/52/47/555105247.db2.gz VKDUISRDTYVNED-CJJGVWJISA-N -1 1 603.678 5.942 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102876000 555105814 /nfs/dbraw/zinc/10/58/14/555105814.db2.gz QGTCRSJEPREWDC-IUKMQXEJSA-N -1 1 530.621 6.758 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102878501 555107838 /nfs/dbraw/zinc/10/78/38/555107838.db2.gz HEWXQBGBNPMSMB-AYWGPLOBSA-N 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VFOLQLCHSYQTJW-NHFXJNLRSA-N -1 1 525.811 6.339 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000102884511 555113493 /nfs/dbraw/zinc/11/34/93/555113493.db2.gz PTNPNBJDGREFGC-NPJIAGGLSA-N -1 1 590.654 5.371 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102884615 555113708 /nfs/dbraw/zinc/11/37/08/555113708.db2.gz YFWOYGQNZBQIRY-JBODOUGHSA-N -1 1 563.031 5.917 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102884615 555113709 /nfs/dbraw/zinc/11/37/09/555113709.db2.gz YFWOYGQNZBQIRY-JBODOUGHSA-N -1 1 563.031 5.917 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102884532 555113797 /nfs/dbraw/zinc/11/37/97/555113797.db2.gz WZDSJZYFPBNZRD-CGOGNACUSA-N -1 1 539.009 5.231 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccs2)s1 ZINC000102884620 555113814 /nfs/dbraw/zinc/11/38/14/555113814.db2.gz VYJGSBGMONSYPA-MOBKVPTQSA-N -1 1 503.605 5.422 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102884711 555114185 /nfs/dbraw/zinc/11/41/85/555114185.db2.gz VQPAIFMERJYVAN-VDGASQMCSA-N -1 1 614.720 6.688 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102884711 555114187 /nfs/dbraw/zinc/11/41/87/555114187.db2.gz VQPAIFMERJYVAN-VDGASQMCSA-N -1 1 614.720 6.688 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102884847 555114886 /nfs/dbraw/zinc/11/48/86/555114886.db2.gz DPMWTKALXRFBKJ-AYWGPLOBSA-N -1 1 565.445 6.011 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102886065 555116404 /nfs/dbraw/zinc/11/64/04/555116404.db2.gz LRAVKVKLASRJQM-JFTLGNCFSA-N -1 1 591.483 6.407 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102886331 555116623 /nfs/dbraw/zinc/11/66/23/555116623.db2.gz SNPXSSCYTVELPD-UUALVTFQSA-N -1 1 591.085 6.916 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102886255 555116633 /nfs/dbraw/zinc/11/66/33/555116633.db2.gz SSSVFQUORNPMHA-BGLRTBKGSA-N -1 1 572.639 5.749 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102886507 555116908 /nfs/dbraw/zinc/11/69/08/555116908.db2.gz ZQXUWSYQDGMJKD-GMBUILNLSA-N -1 1 561.015 5.686 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102886514 555116964 /nfs/dbraw/zinc/11/69/64/555116964.db2.gz BAWGBKVCHDAURN-SBXHHDGASA-N -1 1 549.004 5.746 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102886516 555116974 /nfs/dbraw/zinc/11/69/74/555116974.db2.gz BAWGBKVCHDAURN-NXLSWJSLSA-N -1 1 549.004 5.746 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102886643 555117238 /nfs/dbraw/zinc/11/72/38/555117238.db2.gz BYFNZARDCCOXRA-RFAFYKRUSA-N -1 1 542.613 5.653 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102887065 555117799 /nfs/dbraw/zinc/11/77/99/555117799.db2.gz JZJGRYSKRWGPNW-YZUJGMDRSA-N -1 1 590.657 7.047 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102887158 555118192 /nfs/dbraw/zinc/11/81/92/555118192.db2.gz IHNBFGHVAILJJJ-CWMDRHISSA-N -1 1 602.665 5.671 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102887158 555118195 /nfs/dbraw/zinc/11/81/95/555118195.db2.gz IHNBFGHVAILJJJ-CWMDRHISSA-N -1 1 602.665 5.671 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102887244 555118381 /nfs/dbraw/zinc/11/83/81/555118381.db2.gz RTHQXQUYQWGYDB-LLRJPKBTSA-N -1 1 598.721 7.050 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102887167 555118487 /nfs/dbraw/zinc/11/84/87/555118487.db2.gz MHINJCUHGYAIJX-VEZPTTSMSA-N -1 1 630.719 6.670 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102887167 555118490 /nfs/dbraw/zinc/11/84/90/555118490.db2.gz MHINJCUHGYAIJX-VEZPTTSMSA-N -1 1 630.719 6.670 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000102887358 555119279 /nfs/dbraw/zinc/11/92/79/555119279.db2.gz MXSGMNPGGXBBAC-DZTJFIFISA-N -1 1 629.760 6.578 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102887354 555119299 /nfs/dbraw/zinc/11/92/99/555119299.db2.gz AIDHPMBPRMNHNY-VDGASQMCSA-N -1 1 614.720 6.832 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102887354 555119300 /nfs/dbraw/zinc/11/93/00/555119300.db2.gz AIDHPMBPRMNHNY-VDGASQMCSA-N -1 1 614.720 6.832 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102888199 555120752 /nfs/dbraw/zinc/12/07/52/555120752.db2.gz OHJHLKFYRIFQFV-WKUSSTJHSA-N -1 1 589.113 7.468 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102888199 555120756 /nfs/dbraw/zinc/12/07/56/555120756.db2.gz OHJHLKFYRIFQFV-WKUSSTJHSA-N -1 1 589.113 7.468 50 30 KKEAMM CCCCCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000102888286 555121173 /nfs/dbraw/zinc/12/11/73/555121173.db2.gz PUNFPFKTKIWVQD-QFIPXVFZSA-N -1 1 576.352 8.541 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102888345 555121391 /nfs/dbraw/zinc/12/13/91/555121391.db2.gz NBSOEEJUHDOXQV-HYVCFMKYSA-N -1 1 584.694 6.742 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000102888404 555121432 /nfs/dbraw/zinc/12/14/32/555121432.db2.gz XRNRSNMWIIYLNP-QMDVFYPZSA-N -1 1 621.740 6.942 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102888354 555121447 /nfs/dbraw/zinc/12/14/47/555121447.db2.gz RSYXPQOEMXIMBO-DHJMZRGKSA-N -1 1 542.613 5.709 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102888338 555121566 /nfs/dbraw/zinc/12/15/66/555121566.db2.gz NBSOEEJUHDOXQV-LHKMDIPOSA-N -1 1 584.694 6.742 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102888787 555122105 /nfs/dbraw/zinc/12/21/05/555122105.db2.gz HUUQWLZHHRYXKK-LLAWDOGUSA-N -1 1 575.086 7.078 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102888787 555122107 /nfs/dbraw/zinc/12/21/07/555122107.db2.gz HUUQWLZHHRYXKK-LLAWDOGUSA-N -1 1 575.086 7.078 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102889739 555124168 /nfs/dbraw/zinc/12/41/68/555124168.db2.gz SMDXLISVZLECHP-HYVCFMKYSA-N -1 1 584.694 6.824 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102890158 555125107 /nfs/dbraw/zinc/12/51/07/555125107.db2.gz HNWRCUJOIKYFRQ-NPJIAGGLSA-N -1 1 528.586 5.265 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102890203 555125330 /nfs/dbraw/zinc/12/53/30/555125330.db2.gz FSTCOWDZGYXJGX-HOGKFDNTSA-N -1 1 553.865 6.901 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102891198 555126912 /nfs/dbraw/zinc/12/69/12/555126912.db2.gz HCGBABHEXWJFNQ-WBMUNJTESA-N -1 1 606.125 6.442 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102891534 555127470 /nfs/dbraw/zinc/12/74/70/555127470.db2.gz PMPDUNJRHKAXAB-JUQULXIISA-N -1 1 556.640 5.880 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102891995 555128113 /nfs/dbraw/zinc/12/81/13/555128113.db2.gz IVCUMHFCTVAFEW-GMBUILNLSA-N -1 1 533.005 5.908 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102893600 555131067 /nfs/dbraw/zinc/13/10/67/555131067.db2.gz FRWVAIHORZLONI-DFXXOVSGSA-N -1 1 628.703 6.159 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102893634 555131293 /nfs/dbraw/zinc/13/12/93/555131293.db2.gz HORZKSRFQKXENV-ONQGDUAMSA-N -1 1 588.638 5.500 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102893634 555131296 /nfs/dbraw/zinc/13/12/96/555131296.db2.gz HORZKSRFQKXENV-ONQGDUAMSA-N -1 1 588.638 5.500 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102893633 555131313 /nfs/dbraw/zinc/13/13/13/555131313.db2.gz HORZKSRFQKXENV-UUALVTFQSA-N -1 1 588.638 5.500 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102893633 555131316 /nfs/dbraw/zinc/13/13/16/555131316.db2.gz HORZKSRFQKXENV-UUALVTFQSA-N -1 1 588.638 5.500 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102893693 555131356 /nfs/dbraw/zinc/13/13/56/555131356.db2.gz GNOXBHNFHVRHAE-UUALVTFQSA-N -1 1 612.660 5.605 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102893899 555131623 /nfs/dbraw/zinc/13/16/23/555131623.db2.gz GPZUMBYBKUHHCP-IUKMQXEJSA-N -1 1 544.585 5.101 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102893899 555131626 /nfs/dbraw/zinc/13/16/26/555131626.db2.gz GPZUMBYBKUHHCP-IUKMQXEJSA-N -1 1 544.585 5.101 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102893989 555131908 /nfs/dbraw/zinc/13/19/08/555131908.db2.gz KKPWALZUXYAKGA-NPJIAGGLSA-N -1 1 560.628 5.519 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102894002 555132041 /nfs/dbraw/zinc/13/20/41/555132041.db2.gz KCMYPNPNDFSGBE-UVDRRRQGSA-N -1 1 567.450 6.617 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102894488 555132409 /nfs/dbraw/zinc/13/24/09/555132409.db2.gz YIUZNRZUZKVLPF-WGGXKBPPSA-N -1 1 600.693 6.662 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102894488 555132411 /nfs/dbraw/zinc/13/24/11/555132411.db2.gz YIUZNRZUZKVLPF-WGGXKBPPSA-N -1 1 600.693 6.662 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894469 555132488 /nfs/dbraw/zinc/13/24/88/555132488.db2.gz AZTXZJNFHMQUIO-RFAFYKRUSA-N -1 1 561.059 6.688 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894469 555132491 /nfs/dbraw/zinc/13/24/91/555132491.db2.gz AZTXZJNFHMQUIO-RFAFYKRUSA-N -1 1 561.059 6.688 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102894455 555132625 /nfs/dbraw/zinc/13/26/25/555132625.db2.gz QOOPQULXEIRCJI-JDSQIOQSSA-N -1 1 605.112 7.087 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102894455 555132628 /nfs/dbraw/zinc/13/26/28/555132628.db2.gz QOOPQULXEIRCJI-JDSQIOQSSA-N -1 1 605.112 7.087 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102894713 555132838 /nfs/dbraw/zinc/13/28/38/555132838.db2.gz HNJMTSZRYIGONN-IIHDFJPDSA-N -1 1 576.671 5.613 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102894713 555132840 /nfs/dbraw/zinc/13/28/40/555132840.db2.gz HNJMTSZRYIGONN-IIHDFJPDSA-N -1 1 576.671 5.613 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102894939 555133199 /nfs/dbraw/zinc/13/31/99/555133199.db2.gz DYFAJRPVZQVTIN-IUKMQXEJSA-N -1 1 599.621 5.660 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102895053 555133575 /nfs/dbraw/zinc/13/35/75/555133575.db2.gz CQPSKRMPVMJZKL-VZHVMDKCSA-N -1 1 572.639 5.662 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102894950 555133589 /nfs/dbraw/zinc/13/35/89/555133589.db2.gz GKRGJUMFTXSWCZ-IQKFOVTFSA-N -1 1 600.693 6.498 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102895421 555134409 /nfs/dbraw/zinc/13/44/09/555134409.db2.gz FQQGDAFKVHBLNE-JVJOXMINSA-N -1 1 620.724 6.156 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102895505 555134716 /nfs/dbraw/zinc/13/47/16/555134716.db2.gz OAECDOKJNVCFPT-IUKMQXEJSA-N -1 1 544.585 5.101 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102895505 555134719 /nfs/dbraw/zinc/13/47/19/555134719.db2.gz OAECDOKJNVCFPT-IUKMQXEJSA-N -1 1 544.585 5.101 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102896074 555135759 /nfs/dbraw/zinc/13/57/59/555135759.db2.gz HYUCLXFLKZBLKT-MIOXIQPJSA-N -1 1 616.692 6.280 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102896074 555135760 /nfs/dbraw/zinc/13/57/60/555135760.db2.gz HYUCLXFLKZBLKT-MIOXIQPJSA-N -1 1 616.692 6.280 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896160 555135812 /nfs/dbraw/zinc/13/58/12/555135812.db2.gz AWBHLLMJZTUOKZ-NXLSVDECSA-N -1 1 614.720 6.832 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896160 555135814 /nfs/dbraw/zinc/13/58/14/555135814.db2.gz AWBHLLMJZTUOKZ-NXLSVDECSA-N -1 1 614.720 6.832 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102896782 555136838 /nfs/dbraw/zinc/13/68/38/555136838.db2.gz OXADDQXORPTXFI-RXDXAXPSSA-N -1 1 572.639 5.718 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102897184 555137572 /nfs/dbraw/zinc/13/75/72/555137572.db2.gz MMWRZLYIGBJROA-UJWLLDLUSA-N -1 1 542.613 5.653 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102899472 555139361 /nfs/dbraw/zinc/13/93/61/555139361.db2.gz SAEVUAAUPQMQLK-FGEDTZIGSA-N -1 1 613.761 6.877 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102924897 555149060 /nfs/dbraw/zinc/14/90/60/555149060.db2.gz NQDQTGWJSDFPSV-MOBKVPTQSA-N -1 1 553.409 6.223 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000102927968 555152839 /nfs/dbraw/zinc/15/28/39/555152839.db2.gz AKCWMBFAULDYHG-WOOAAIBNSA-N -1 1 547.416 5.488 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102928591 555154164 /nfs/dbraw/zinc/15/41/64/555154164.db2.gz LBCNWVIBKSRNFK-HOGKFDNTSA-N -1 1 502.523 5.157 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102929352 555155096 /nfs/dbraw/zinc/15/50/96/555155096.db2.gz CEBWLBZGHIGWEQ-HFEWCJDKSA-N -1 1 519.966 6.101 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102930139 555156521 /nfs/dbraw/zinc/15/65/21/555156521.db2.gz PWUDYMRKDCWQGG-MOBKVPTQSA-N -1 1 508.958 6.114 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102930557 555157354 /nfs/dbraw/zinc/15/73/54/555157354.db2.gz OLVONWKSHWUYRE-NXLSWJSLSA-N -1 1 516.575 5.257 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102931487 555159192 /nfs/dbraw/zinc/15/91/92/555159192.db2.gz IZUQYWHESBHWDM-CJJGVWJISA-N -1 1 603.096 6.795 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102931538 555159210 /nfs/dbraw/zinc/15/92/10/555159210.db2.gz PLANNKKPWJPESB-JBCNATCCSA-N -1 1 505.508 5.131 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(Oc3ccccc3)cc2)nc1C ZINC000138215077 571451188 /nfs/dbraw/zinc/45/11/88/571451188.db2.gz PGUMMBMMCJURCG-JOCHJYFZSA-N -1 1 530.558 5.796 50 30 KKEAMM Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1O)C(=CNc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)C3C(C)C)C(=CNc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)C2C(C)C ZINC000150341889 571458302 /nfs/dbraw/zinc/45/83/02/571458302.db2.gz UWOSPUSBILRKLD-LZUTUTKMSA-N -1 1 826.950 6.598 50 30 biogenic,in-vitro KKEAMM Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1O)C(=CNNCc1ccccc1)C(=O)C(=O)C3C(C)C)C(=CNNCc1ccccc1)C(=O)C(=O)C2C(C)C ZINC000150345920 571460156 /nfs/dbraw/zinc/46/01/56/571460156.db2.gz KLMNRCMSWIASNP-RYJWMXFHSA-N -1 1 726.874 7.668 50 30 biogenic KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000150413151 571484827 /nfs/dbraw/zinc/48/48/27/571484827.db2.gz CGNINLSWZYXAQP-SANMLTNESA-N -1 1 636.557 8.521 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000150424260 571489020 /nfs/dbraw/zinc/48/90/20/571489020.db2.gz RZKYBAODPJLHPE-AHPONGEQSA-N -1 1 687.840 7.360 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000150424263 571489025 /nfs/dbraw/zinc/48/90/25/571489025.db2.gz RZKYBAODPJLHPE-ZORLYMSLSA-N -1 1 687.840 7.360 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000150424450 571489119 /nfs/dbraw/zinc/48/91/19/571489119.db2.gz ALNMPYLJCQPDIK-QMMFTLRZSA-N -1 1 708.258 7.705 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000150424441 571489204 /nfs/dbraw/zinc/48/92/04/571489204.db2.gz XHHIFHWTMOCGJJ-NNZNMFTDSA-N -1 1 706.286 8.257 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000150424791 571489338 /nfs/dbraw/zinc/48/93/38/571489338.db2.gz CTAWVJVNFGXURT-QMMFTLRZSA-N -1 1 742.703 8.358 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000150424937 571489545 /nfs/dbraw/zinc/48/95/45/571489545.db2.gz DLLDVSBPYIPKPC-CDXXWDJZSA-N -1 1 721.901 8.757 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000150426804 571491180 /nfs/dbraw/zinc/49/11/80/571491180.db2.gz UECPOOLZHDSPEC-SBXHHDGASA-N -1 1 636.107 5.668 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000150435562 571495528 /nfs/dbraw/zinc/49/55/28/571495528.db2.gz ZZILABCOXMIXAC-XSYNSRRPSA-N -1 1 760.721 9.065 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150435418 571495565 /nfs/dbraw/zinc/49/55/65/571495565.db2.gz KMDPUFFMEZVRFZ-JQOJAKJKSA-N -1 1 646.765 7.841 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000150435662 571495854 /nfs/dbraw/zinc/49/58/54/571495854.db2.gz GSOBFAFMGBUVGA-LCWNDPLPSA-N -1 1 636.701 7.363 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000150435662 571495856 /nfs/dbraw/zinc/49/58/56/571495856.db2.gz GSOBFAFMGBUVGA-LCWNDPLPSA-N -1 1 636.701 7.363 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435828 571495861 /nfs/dbraw/zinc/49/58/61/571495861.db2.gz QESWFICZRKWJDI-ZORLYMSLSA-N -1 1 655.128 7.325 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000150435836 571495915 /nfs/dbraw/zinc/49/59/15/571495915.db2.gz WILFOJKZRHUJRB-SZYGQJGOSA-N -1 1 650.709 6.680 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000150435836 571495917 /nfs/dbraw/zinc/49/59/17/571495917.db2.gz WILFOJKZRHUJRB-SZYGQJGOSA-N -1 1 650.709 6.680 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000150440075 571497833 /nfs/dbraw/zinc/49/78/33/571497833.db2.gz IXWKXDUJSMOLAL-QCRSBAEDSA-N -1 1 709.821 7.897 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445233 571500211 /nfs/dbraw/zinc/50/02/11/571500211.db2.gz CIXDOCCDZHMTLZ-QMNXYOJKSA-N -1 1 654.741 6.556 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445233 571500212 /nfs/dbraw/zinc/50/02/12/571500212.db2.gz CIXDOCCDZHMTLZ-QMNXYOJKSA-N -1 1 654.741 6.556 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150445488 571500380 /nfs/dbraw/zinc/50/03/80/571500380.db2.gz OTHZNQOVQVMABW-UZGIXAGNSA-N -1 1 635.767 7.332 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150445488 571500381 /nfs/dbraw/zinc/50/03/81/571500381.db2.gz OTHZNQOVQVMABW-UZGIXAGNSA-N -1 1 635.767 7.332 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445851 571500609 /nfs/dbraw/zinc/50/06/09/571500609.db2.gz OFZMUGYCGMCRGQ-VXJPNWOUSA-N -1 1 662.233 8.003 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445872 571500952 /nfs/dbraw/zinc/50/09/52/571500952.db2.gz OFGLHEMHLKWAMY-NSOCNUKWSA-N -1 1 632.163 6.998 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150453994 571503777 /nfs/dbraw/zinc/50/37/77/571503777.db2.gz HISKGDICXHCIRS-UWUYKNAISA-N -1 1 697.838 8.512 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150454014 571503816 /nfs/dbraw/zinc/50/38/16/571503816.db2.gz HISKGDICXHCIRS-CYRRUZCLSA-N -1 1 697.838 8.512 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150455055 571504385 /nfs/dbraw/zinc/50/43/85/571504385.db2.gz YFJTYLYNZIFHPX-AHPONGEQSA-N -1 1 636.682 6.290 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457719 571504916 /nfs/dbraw/zinc/50/49/16/571504916.db2.gz MKHIVYJSBDUFCO-QMNXYOJKSA-N -1 1 692.259 8.011 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150457510 571504935 /nfs/dbraw/zinc/50/49/35/571504935.db2.gz NRFLOGLIMJYIIX-QBCYBHDASA-N -1 1 645.778 7.488 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150457918 571505314 /nfs/dbraw/zinc/50/53/14/571505314.db2.gz OYVLFCJSEYMCOG-NNZNMFTDSA-N -1 1 665.768 7.498 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150457804 571505372 /nfs/dbraw/zinc/50/53/72/571505372.db2.gz NQMFODSZYHMXAP-XMNHVCEGSA-N -1 1 634.710 6.898 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000150458802 571505463 /nfs/dbraw/zinc/50/54/63/571505463.db2.gz FVOAECDJDNKZBH-WGGXKBPPSA-N -1 1 640.714 6.325 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150459173 571505732 /nfs/dbraw/zinc/50/57/32/571505732.db2.gz HGKKTZNKTYTPJK-NSOCNUKWSA-N -1 1 634.179 7.222 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150460278 571505911 /nfs/dbraw/zinc/50/59/11/571505911.db2.gz JIBTYEHTTBGWEJ-VXJPNWOUSA-N -1 1 646.762 6.568 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150460278 571505913 /nfs/dbraw/zinc/50/59/13/571505913.db2.gz JIBTYEHTTBGWEJ-VXJPNWOUSA-N -1 1 646.762 6.568 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150460582 571506033 /nfs/dbraw/zinc/50/60/33/571506033.db2.gz OGZWQOFRWNQHLP-JNYBUSFRSA-N -1 1 689.831 7.887 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150460454 571506152 /nfs/dbraw/zinc/50/61/52/571506152.db2.gz ALQKXVGNBJDBLA-QMDVFYPZSA-N -1 1 661.777 7.107 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150461148 571506425 /nfs/dbraw/zinc/50/64/25/571506425.db2.gz FEIIJYJUZCVHIQ-JNYBUSFRSA-N -1 1 689.831 7.887 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150461143 571506429 /nfs/dbraw/zinc/50/64/29/571506429.db2.gz FEIIJYJUZCVHIQ-NNZNMFTDSA-N -1 1 689.831 7.887 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150462757 571506728 /nfs/dbraw/zinc/50/67/28/571506728.db2.gz MBJLCGGBLNTLAV-JNYBUSFRSA-N -1 1 706.286 8.401 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150462856 571506736 /nfs/dbraw/zinc/50/67/36/571506736.db2.gz GDOOMUPVZBWQEQ-VDKPZLLLSA-N -1 1 634.710 6.842 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150462856 571506738 /nfs/dbraw/zinc/50/67/38/571506738.db2.gz GDOOMUPVZBWQEQ-VDKPZLLLSA-N -1 1 634.710 6.842 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150462753 571506793 /nfs/dbraw/zinc/50/67/93/571506793.db2.gz MBJLCGGBLNTLAV-NBXYUPGTSA-N -1 1 706.286 8.401 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150463053 571506908 /nfs/dbraw/zinc/50/69/08/571506908.db2.gz MDERYTBUDOXSNU-DFXXOVSGSA-N -1 1 648.734 6.015 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463368 571507209 /nfs/dbraw/zinc/50/72/09/571507209.db2.gz ZZKHMJFNQCFEHC-RIEKNRFYSA-N -1 1 647.778 7.498 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463643 571507280 /nfs/dbraw/zinc/50/72/80/571507280.db2.gz JURGPKJLMVEWAT-JVJOXMINSA-N -1 1 634.179 7.222 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150466725 571508110 /nfs/dbraw/zinc/50/81/10/571508110.db2.gz NDVKOHRAFCYAJZ-DPOYVYBFSA-N -1 1 632.738 7.450 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150469583 571508758 /nfs/dbraw/zinc/50/87/58/571508758.db2.gz SSYOSIZMFQTOLQ-TXTDGAROSA-N -1 1 647.750 6.792 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150471586 571509572 /nfs/dbraw/zinc/50/95/72/571509572.db2.gz NKLITVLXWCXDHB-LHKMDIPOSA-N -1 1 678.232 7.621 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150471601 571509645 /nfs/dbraw/zinc/50/96/45/571509645.db2.gz ZBTBGLGJEGZDSE-NYFCFKJUSA-N -1 1 710.661 8.050 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150471839 571509745 /nfs/dbraw/zinc/50/97/45/571509745.db2.gz POCQPKNZSQCEOR-QMMFTLRZSA-N -1 1 708.258 7.849 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150480660 571512118 /nfs/dbraw/zinc/51/21/18/571512118.db2.gz ISIQXNWITAGHAT-DFXXOVSGSA-N -1 1 698.650 7.960 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150485508 571515853 /nfs/dbraw/zinc/51/58/53/571515853.db2.gz VCUUNFCHLULILX-HKBQPEDESA-N -1 1 704.899 9.377 50 30 KKEAMM C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(occ(-c5ccc(OC)c(OC)c5)c4=O)c32)cc1 ZINC000263585824 572120375 /nfs/dbraw/zinc/12/03/75/572120375.db2.gz MYNZXBBWUWLTFL-HXUWFJFHSA-N -1 1 514.530 5.579 50 30 KKEAMM C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1 ZINC000263585824 572120378 /nfs/dbraw/zinc/12/03/78/572120378.db2.gz MYNZXBBWUWLTFL-HXUWFJFHSA-N -1 1 514.530 5.579 50 30 KKEAMM O=C(Nc1cccc(N=Cc2cc(Cc3ccccc3)cc(Br)c2[O-])c1)c1ccc(I)cc1 ZINC000252426688 572260350 /nfs/dbraw/zinc/26/03/50/572260350.db2.gz KQJKKMNYRMKBKC-UHFFFAOYSA-N -1 1 611.277 7.353 50 30 KKEAMM COCCN1C(=O)/C(=C/c2cc(OC)c([O-])c(Br)c2Br)SC1=Nc1ccccc1 ZINC000252598447 572267112 /nfs/dbraw/zinc/26/71/12/572267112.db2.gz DAURPCBZQSQTMW-JIXASPRGSA-N -1 1 542.249 5.176 50 30 KKEAMM COc1cc(/C=C2\SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1[O-] ZINC000252602927 572267510 /nfs/dbraw/zinc/26/75/10/572267510.db2.gz FMKMFQSKZHKJJS-HCKSNIQQSA-N -1 1 616.375 7.968 50 30 KKEAMM COc1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)c(Br)c(Br)c1[O-] ZINC000252626743 572270669 /nfs/dbraw/zinc/27/06/69/572270669.db2.gz REVFAVMOCIBSCG-VMGUOVNQSA-N -1 1 552.288 6.472 50 30 KKEAMM CC(C)(C)c1cc(C(F)(F)F)nc(NC(=O)[N-]S(=O)(=O)N(Cc2ccccc2)c2ccccc2)n1 ZINC000022779324 1069815995 /nfs/dbraw/zinc/81/59/95/1069815995.db2.gz HETYCMHCFOUZFI-UHFFFAOYSA-N -1 1 507.538 5.070 50 30 KKEAMM C=C(C)COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)c1 ZINC000217812123 1071292709 /nfs/dbraw/zinc/29/27/09/1071292709.db2.gz NOYPKRXHHRKFGW-IBGZPJMESA-N -1 1 500.503 5.276 50 30 biogenic KKEAMM CCC(N=Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000254289292 1072843422 /nfs/dbraw/zinc/84/34/22/1072843422.db2.gz OWBRDRVHNJUTHH-UHFFFAOYSA-N -1 1 518.542 5.840 50 30 KKEAMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C)c1 ZINC000254384834 1072850816 /nfs/dbraw/zinc/85/08/16/1072850816.db2.gz XWCGUMKLFJLFSM-UHFFFAOYSA-N -1 1 591.693 7.928 50 30 KKEAMM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(N=NCc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000254515471 1072861900 /nfs/dbraw/zinc/86/19/00/1072861900.db2.gz FBTPUXDFGWMEQD-UHFFFAOYSA-N -1 1 582.598 5.393 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000000631129 551505041 /nfs/dbraw/zinc/50/50/41/551505041.db2.gz XSWXZQIPVGUTQQ-IBGZPJMESA-N -1 1 512.971 5.073 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000000631146 551505076 /nfs/dbraw/zinc/50/50/76/551505076.db2.gz BAJJUBNZLDBFLH-LJQANCHMSA-N -1 1 512.971 5.073 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000000631067 551505088 /nfs/dbraw/zinc/50/50/88/551505088.db2.gz SSVDCJNAOGIWTQ-SFHVURJKSA-N -1 1 545.386 5.313 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000000635393 551506068 /nfs/dbraw/zinc/50/60/68/551506068.db2.gz RHXYNOXOVLTHGL-QFIPXVFZSA-N -1 1 520.607 5.427 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000000635393 551506071 /nfs/dbraw/zinc/50/60/71/551506071.db2.gz RHXYNOXOVLTHGL-QFIPXVFZSA-N -1 1 520.607 5.427 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000000703132 551530799 /nfs/dbraw/zinc/53/07/99/551530799.db2.gz CIPNXFRBMRYFJP-SANMLTNESA-N -1 1 570.623 6.468 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000000703131 551530804 /nfs/dbraw/zinc/53/08/04/551530804.db2.gz YQSRTHFTUCXNRW-AREMUKBSSA-N -1 1 540.597 6.547 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)ccc1O ZINC000000720180 551536939 /nfs/dbraw/zinc/53/69/39/551536939.db2.gz WZKAILLZMJJXPJ-DEOSSOPVSA-N -1 1 538.394 5.653 50 30 KKEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001097618 551607983 /nfs/dbraw/zinc/60/79/83/551607983.db2.gz HRLPTMVMFGNOFG-SLQAJWMNSA-N -1 1 545.979 6.014 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001306044 551638985 /nfs/dbraw/zinc/63/89/85/551638985.db2.gz KLSJULGXXAIOPT-CAQRMWTPSA-N -1 1 580.681 6.536 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000001449484 551674818 /nfs/dbraw/zinc/67/48/18/551674818.db2.gz HDXQRAPFDWQNTE-DEOSSOPVSA-N -1 1 544.585 5.273 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000001449485 551674859 /nfs/dbraw/zinc/67/48/59/551674859.db2.gz HDXQRAPFDWQNTE-XMMPIXPASA-N -1 1 544.585 5.273 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001450363 551675676 /nfs/dbraw/zinc/67/56/76/551675676.db2.gz JRXXMSIAYUOAQO-RUZDIDTESA-N -1 1 546.601 5.422 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000001451414 551675959 /nfs/dbraw/zinc/67/59/59/551675959.db2.gz GJSHMAYULYUFJU-VWLOTQADSA-N -1 1 530.602 5.722 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451429 551676016 /nfs/dbraw/zinc/67/60/16/551676016.db2.gz OOPCMSBZBKIBSG-RUZDIDTESA-N -1 1 544.629 5.976 50 30 KKEAMM COc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001453811 551676327 /nfs/dbraw/zinc/67/63/27/551676327.db2.gz MNVGOQCVRBJFQQ-PKHCJMHPSA-N -1 1 556.615 5.478 50 30 biogenic KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001451971 551676344 /nfs/dbraw/zinc/67/63/44/551676344.db2.gz LZRFEJBBNDASBW-RUZDIDTESA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001451971 551676346 /nfs/dbraw/zinc/67/63/46/551676346.db2.gz LZRFEJBBNDASBW-RUZDIDTESA-N -1 1 546.601 5.504 50 30 KKEAMM COc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001453810 551676464 /nfs/dbraw/zinc/67/64/64/551676464.db2.gz MNVGOQCVRBJFQQ-GEFUHLBYSA-N -1 1 556.615 5.478 50 30 biogenic KKEAMM COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457410 551677037 /nfs/dbraw/zinc/67/70/37/551677037.db2.gz PQRIYVITRYNSCS-BGOLNKOXSA-N -1 1 526.589 5.469 50 30 KKEAMM COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001457571 551677065 /nfs/dbraw/zinc/67/70/65/551677065.db2.gz AWUVMGNLLWGWBU-UVDDSOTQSA-N -1 1 510.590 5.769 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000001479926 551681220 /nfs/dbraw/zinc/68/12/20/551681220.db2.gz DEFDJCIFVMCDMV-HXUWFJFHSA-N -1 1 541.448 6.302 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001480830 551681830 /nfs/dbraw/zinc/68/18/30/551681830.db2.gz PAPSCMMXNDUQRQ-VWLOTQADSA-N -1 1 530.602 5.804 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001480829 551681940 /nfs/dbraw/zinc/68/19/40/551681940.db2.gz ORXZEVKOWRKOIK-XMMPIXPASA-N -1 1 530.602 5.804 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001480876 551682219 /nfs/dbraw/zinc/68/22/19/551682219.db2.gz HOMBCLAVUIDHNW-QHCPKHFHSA-N -1 1 534.565 5.634 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001481477 551682637 /nfs/dbraw/zinc/68/26/37/551682637.db2.gz XJCKOWHHAKMGTF-QHCPKHFHSA-N -1 1 550.564 5.253 50 30 KKEAMM O=C(c1ccco1)N1CCN(c2ccc(/N=C/c3cc(Cc4ccccc4)cc(Br)c3[O-])cc2)CC1 ZINC000001840206 551714003 /nfs/dbraw/zinc/71/40/03/551714003.db2.gz XXWGSMNSBBCLES-AJBULDERSA-N -1 1 544.449 6.052 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001451441 552077931 /nfs/dbraw/zinc/07/79/31/552077931.db2.gz DNHCXLFBTFVMJV-XMMPIXPASA-N -1 1 530.602 5.667 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001451440 552078041 /nfs/dbraw/zinc/07/80/41/552078041.db2.gz DNHCXLFBTFVMJV-DEOSSOPVSA-N -1 1 530.602 5.667 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000001451438 552078058 /nfs/dbraw/zinc/07/80/58/552078058.db2.gz JNJURYQFKAQICN-DEOSSOPVSA-N -1 1 528.586 5.437 50 30 KKEAMM CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])cc1 ZINC000002261042 552084105 /nfs/dbraw/zinc/08/41/05/552084105.db2.gz HIGHKDRRHQHCJH-LGJNPRDNSA-N -1 1 516.848 5.982 50 30 KKEAMM Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)c2ccccc2c1[O-] ZINC000002314223 552092269 /nfs/dbraw/zinc/09/22/69/552092269.db2.gz LPYCKJYAEXIDOT-WKULSOCRSA-N -1 1 514.379 5.787 50 30 KKEAMM COc1cc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000002719311 552163602 /nfs/dbraw/zinc/16/36/02/552163602.db2.gz IZEDTGGCHHNOGZ-NRFANRHFSA-N -1 1 540.041 5.718 50 30 KKEAMM O=C(c1cccs1)N1CCN(c2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Br)c3[O-])cc2)CC1 ZINC000004109771 552438169 /nfs/dbraw/zinc/43/81/69/552438169.db2.gz JGGASJYZLONROW-BIZUNTBRSA-N -1 1 594.962 7.173 50 30 KKEAMM O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)c1c(=O)[n-]c(SCc3cccc(F)c3)nc1N2 ZINC000004793657 552485581 /nfs/dbraw/zinc/48/55/81/552485581.db2.gz DZHLJNSYYPPRFY-IBGZPJMESA-N -1 1 512.404 5.528 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005355491 552498564 /nfs/dbraw/zinc/49/85/64/552498564.db2.gz YWLRICMRSYUURU-DEOSSOPVSA-N -1 1 619.493 6.966 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)nc1C ZINC000005355821 552499018 /nfs/dbraw/zinc/49/90/18/552499018.db2.gz IKOCUOUMZXEMND-SANMLTNESA-N -1 1 568.651 6.299 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)nc1C ZINC000005355821 552499020 /nfs/dbraw/zinc/49/90/20/552499020.db2.gz IKOCUOUMZXEMND-SANMLTNESA-N -1 1 568.651 6.299 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005919201 552512361 /nfs/dbraw/zinc/51/23/61/552512361.db2.gz SKMINXOTNHPCBJ-VWLOTQADSA-N -1 1 578.687 6.297 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005919163 552512423 /nfs/dbraw/zinc/51/24/23/552512423.db2.gz SKMINXOTNHPCBJ-RUZDIDTESA-N -1 1 578.687 6.297 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000005919062 552512481 /nfs/dbraw/zinc/51/24/81/552512481.db2.gz PDAYZJYLJWAXEU-QHCPKHFHSA-N -1 1 566.632 5.135 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000005927747 552513019 /nfs/dbraw/zinc/51/30/19/552513019.db2.gz IZAZXLGIHCTYAB-DEOSSOPVSA-N -1 1 562.688 6.416 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000005927651 552513099 /nfs/dbraw/zinc/51/30/99/552513099.db2.gz IZAZXLGIHCTYAB-XMMPIXPASA-N -1 1 562.688 6.416 50 30 KKEAMM C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000006094789 552534202 /nfs/dbraw/zinc/53/42/02/552534202.db2.gz ZYSILPASAUMGDB-JOCHJYFZSA-N -1 1 504.999 5.098 50 30 KKEAMM CN(C)c1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006143584 552545119 /nfs/dbraw/zinc/54/51/19/552545119.db2.gz LCBQWYYDLWGCTM-JOCHJYFZSA-N -1 1 521.086 5.982 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@H]2c1cccc(Br)c1 ZINC000006143576 552545160 /nfs/dbraw/zinc/54/51/60/552545160.db2.gz WQFXOEMFZQRKNC-FQEVSTJZSA-N -1 1 522.468 6.025 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c1[C@H]2c1cccc(Br)c1 ZINC000006143580 552545206 /nfs/dbraw/zinc/54/52/06/552545206.db2.gz YXSFQHHWOSHGMQ-FQEVSTJZSA-N -1 1 567.465 5.934 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000006195134 552566837 /nfs/dbraw/zinc/56/68/37/552566837.db2.gz KLWHLIMWYTUGGC-QHCPKHFHSA-N -1 1 536.378 5.417 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000006195134 552566840 /nfs/dbraw/zinc/56/68/40/552566840.db2.gz KLWHLIMWYTUGGC-QHCPKHFHSA-N -1 1 536.378 5.417 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000008383358 552986593 /nfs/dbraw/zinc/98/65/93/552986593.db2.gz PWMUGMSHUYONLH-SANMLTNESA-N -1 1 585.682 7.622 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC ZINC000008383461 552986881 /nfs/dbraw/zinc/98/68/81/552986881.db2.gz 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/nfs/dbraw/zinc/98/88/26/552988826.db2.gz NEWTTYMLPUJFST-XMMPIXPASA-N -1 1 590.082 7.022 50 30 KKEAMM O=C([O-])c1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2ccc(Br)cc2)c1 ZINC000008385606 552991157 /nfs/dbraw/zinc/99/11/57/552991157.db2.gz BYKPKSAUTPHETQ-HXUWFJFHSA-N -1 1 557.194 5.693 50 30 KKEAMM CC(C)(C)c1cc([N+](=O)[O-])cc(/C=N/[C@H](c2ccccc2)[C@H](/N=C/c2cc([N+](=O)[O-])cc(C(C)(C)C)c2O)c2ccccc2)c1[O-] ZINC000008397868 552997845 /nfs/dbraw/zinc/99/78/45/552997845.db2.gz RURYPXMORBPALD-KUNPSIRNSA-N -1 1 622.722 8.530 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441064 553039561 /nfs/dbraw/zinc/03/95/61/553039561.db2.gz CLUDXZJPTMVKLP-JOCHJYFZSA-N -1 1 537.410 6.543 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000008441244 553040029 /nfs/dbraw/zinc/04/00/29/553040029.db2.gz ORCUAOFUEWDEEQ-AREMUKBSSA-N -1 1 581.675 6.924 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000008441718 553041906 /nfs/dbraw/zinc/04/19/06/553041906.db2.gz JXTGXXXREJJVRE-GDLZYMKVSA-N -1 1 582.678 7.630 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1cccs1 ZINC000008441775 553042149 /nfs/dbraw/zinc/04/21/49/553042149.db2.gz CBQSKATXXRJBFR-RUZDIDTESA-N -1 1 581.700 7.574 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000008741004 553132480 /nfs/dbraw/zinc/13/24/80/553132480.db2.gz UZDODZWHTCEZHX-FQEVSTJZSA-N -1 1 509.381 5.997 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000008779313 553143975 /nfs/dbraw/zinc/14/39/75/553143975.db2.gz SZARSLYGYBUVLZ-HXUWFJFHSA-N -1 1 522.648 5.936 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000008779313 553143977 /nfs/dbraw/zinc/14/39/77/553143977.db2.gz SZARSLYGYBUVLZ-HXUWFJFHSA-N -1 1 522.648 5.936 50 30 KKEAMM CC1(C)SC(=S)N(/N=C/c2c[nH]c3ccccc23)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008816778 553152035 /nfs/dbraw/zinc/15/20/35/553152035.db2.gz XFJQFZDJLUIVQA-VFADJPBRSA-N -1 1 508.456 6.170 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000008816708 553152085 /nfs/dbraw/zinc/15/20/85/553152085.db2.gz PVJZOHDHXORRNY-GOSISDBHSA-N -1 1 500.935 5.204 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000008817910 553153167 /nfs/dbraw/zinc/15/31/67/553153167.db2.gz BBKVDSABWRYFRI-HSZRJFAPSA-N -1 1 504.539 5.626 50 30 KKEAMM CCCCCCOc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(=O)OC)cc2)c1 ZINC000008846522 553166264 /nfs/dbraw/zinc/16/62/64/553166264.db2.gz ZTPYXHMSKICKHL-HHHXNRCGSA-N -1 1 513.590 6.215 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000008894106 553177551 /nfs/dbraw/zinc/17/75/51/553177551.db2.gz AUBULNOVCWSDLU-QHCPKHFHSA-N -1 1 504.995 6.304 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000008894106 553177552 /nfs/dbraw/zinc/17/75/52/553177552.db2.gz AUBULNOVCWSDLU-QHCPKHFHSA-N -1 1 504.995 6.304 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894669 553177703 /nfs/dbraw/zinc/17/77/03/553177703.db2.gz INFNDXBSDXKKCV-DEOSSOPVSA-N -1 1 500.576 6.108 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894669 553177704 /nfs/dbraw/zinc/17/77/04/553177704.db2.gz INFNDXBSDXKKCV-DEOSSOPVSA-N -1 1 500.576 6.108 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000008896839 553179128 /nfs/dbraw/zinc/17/91/28/553179128.db2.gz NVIVMTPKUDCKQU-RUZDIDTESA-N -1 1 516.594 6.568 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000008896839 553179131 /nfs/dbraw/zinc/17/91/31/553179131.db2.gz NVIVMTPKUDCKQU-RUZDIDTESA-N -1 1 516.594 6.568 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008896834 553179157 /nfs/dbraw/zinc/17/91/57/553179157.db2.gz QAESIRWTKOSRPL-RUZDIDTESA-N -1 1 516.594 6.570 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008896834 553179158 /nfs/dbraw/zinc/17/91/58/553179158.db2.gz QAESIRWTKOSRPL-RUZDIDTESA-N -1 1 516.594 6.570 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000008905351 553183730 /nfs/dbraw/zinc/18/37/30/553183730.db2.gz NZUKHQCCNZTPTE-GOSISDBHSA-N -1 1 500.935 5.204 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008934717 553192943 /nfs/dbraw/zinc/19/29/43/553192943.db2.gz SVOJUVUWXSLSNZ-QHCPKHFHSA-N -1 1 504.995 6.304 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008934717 553192946 /nfs/dbraw/zinc/19/29/46/553192946.db2.gz SVOJUVUWXSLSNZ-QHCPKHFHSA-N -1 1 504.995 6.304 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008973240 553195138 /nfs/dbraw/zinc/19/51/38/553195138.db2.gz IQYYAVCCXWOSFN-JOCHJYFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008973240 553195139 /nfs/dbraw/zinc/19/51/39/553195139.db2.gz IQYYAVCCXWOSFN-JOCHJYFZSA-N -1 1 501.520 5.304 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008973269 553195166 /nfs/dbraw/zinc/19/51/66/553195166.db2.gz RNLRSQDMXHFLMY-NRFANRHFSA-N -1 1 505.483 5.135 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008973231 553195236 /nfs/dbraw/zinc/19/52/36/553195236.db2.gz WFZTVVFQPCDARS-DEOSSOPVSA-N -1 1 500.576 5.877 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Br)c1)c1ccccc1 ZINC000008973715 553195604 /nfs/dbraw/zinc/19/56/04/553195604.db2.gz FBOLFPADUFCVEP-HXUWFJFHSA-N -1 1 509.356 5.981 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000008974023 553195771 /nfs/dbraw/zinc/19/57/71/553195771.db2.gz ZXIZBIUANZMFFA-VWLOTQADSA-N -1 1 514.603 6.103 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008996973 553197458 /nfs/dbraw/zinc/19/74/58/553197458.db2.gz SSNZNDDPCGYRJJ-DEOSSOPVSA-N -1 1 514.603 5.967 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000008997032 553197738 /nfs/dbraw/zinc/19/77/38/553197738.db2.gz BNHAIOBVIIXEPA-XMMPIXPASA-N -1 1 500.576 5.659 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009012090 553199874 /nfs/dbraw/zinc/19/98/74/553199874.db2.gz MEZMNOLDGUIJQP-QHCPKHFHSA-N -1 1 513.468 5.514 50 30 KKEAMM CN(C)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009019792 553201131 /nfs/dbraw/zinc/20/11/31/553201131.db2.gz JEEOLPCIPRAOGJ-QFIPXVFZSA-N -1 1 511.803 5.951 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009041288 553202310 /nfs/dbraw/zinc/20/23/10/553202310.db2.gz LUNVKFSFJAXGBN-HSZRJFAPSA-N -1 1 521.013 7.169 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009041288 553202311 /nfs/dbraw/zinc/20/23/11/553202311.db2.gz LUNVKFSFJAXGBN-HSZRJFAPSA-N -1 1 521.013 7.169 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009044849 553203235 /nfs/dbraw/zinc/20/32/35/553203235.db2.gz SDCULVRBLRLKSE-JOCHJYFZSA-N -1 1 506.898 5.208 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009044855 553203285 /nfs/dbraw/zinc/20/32/85/553203285.db2.gz SDCULVRBLRLKSE-QFIPXVFZSA-N -1 1 506.898 5.208 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000009045725 553203506 /nfs/dbraw/zinc/20/35/06/553203506.db2.gz ZEYUGEDCKDKTHF-HSZRJFAPSA-N -1 1 520.538 5.244 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009046094 553203578 /nfs/dbraw/zinc/20/35/78/553203578.db2.gz GNSNIWHKHPFHOB-HSZRJFAPSA-N -1 1 514.559 5.183 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009046222 553203831 /nfs/dbraw/zinc/20/38/31/553203831.db2.gz XKEHJZWZHCCZKQ-QFIPXVFZSA-N -1 1 502.548 5.384 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000009066962 553206444 /nfs/dbraw/zinc/20/64/44/553206444.db2.gz JOONHZJWNDBXBR-QHCPKHFHSA-N -1 1 504.539 5.626 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)o1 ZINC000009069280 553206772 /nfs/dbraw/zinc/20/67/72/553206772.db2.gz SGHNRUDXDLERKT-IBGZPJMESA-N -1 1 513.344 5.882 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009085902 553208073 /nfs/dbraw/zinc/20/80/73/553208073.db2.gz UFCVTXCEJFEMJV-QFIPXVFZSA-N -1 1 506.352 5.409 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009085902 553208076 /nfs/dbraw/zinc/20/80/76/553208076.db2.gz UFCVTXCEJFEMJV-QFIPXVFZSA-N -1 1 506.352 5.409 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009122751 553212162 /nfs/dbraw/zinc/21/21/62/553212162.db2.gz YNSNWNCWBYZRNA-QFIPXVFZSA-N -1 1 508.958 6.270 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000009124420 553212783 /nfs/dbraw/zinc/21/27/83/553212783.db2.gz BNKTYIZDSIBFQE-XMHCIUCPSA-N -1 1 504.589 5.473 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(OC)c2OC)cc1Cl ZINC000009175809 553216072 /nfs/dbraw/zinc/21/60/72/553216072.db2.gz OAFUMWCGVBPAFV-HXUWFJFHSA-N -1 1 514.987 5.222 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009176332 553216158 /nfs/dbraw/zinc/21/61/58/553216158.db2.gz TXFSEBPFSDEFTO-XMMPIXPASA-N -1 1 518.566 6.016 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000009177141 553216440 /nfs/dbraw/zinc/21/64/40/553216440.db2.gz KJRFSMYJLJNUJM-QGZVFWFLSA-N -1 1 503.363 5.328 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000009186502 553217622 /nfs/dbraw/zinc/21/76/22/553217622.db2.gz DCMXOJHVOCGNTO-LJQANCHMSA-N -1 1 501.416 6.756 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009236968 553225821 /nfs/dbraw/zinc/22/58/21/553225821.db2.gz DBVWEXUIMFBCIN-HSZRJFAPSA-N -1 1 516.575 5.413 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000009244129 553227117 /nfs/dbraw/zinc/22/71/17/553227117.db2.gz OHFZZTZIMYCSQO-DEOSSOPVSA-N -1 1 516.550 5.606 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000009244129 553227120 /nfs/dbraw/zinc/22/71/20/553227120.db2.gz OHFZZTZIMYCSQO-DEOSSOPVSA-N -1 1 516.550 5.606 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009271034 553230472 /nfs/dbraw/zinc/23/04/72/553230472.db2.gz CGXPQZSFJASLLF-XMMPIXPASA-N -1 1 516.575 5.413 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000009272154 553231539 /nfs/dbraw/zinc/23/15/39/553231539.db2.gz SSYHZGGVVDVVAS-HXUWFJFHSA-N -1 1 513.384 5.305 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(NC(C)=O)cc2)cc1OC ZINC000009272465 553231793 /nfs/dbraw/zinc/23/17/93/553231793.db2.gz OSDBUDBDSFLOIH-XMMPIXPASA-N -1 1 506.942 5.099 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009292009 553234823 /nfs/dbraw/zinc/23/48/23/553234823.db2.gz ADUXSDFHCMJVAK-OYLFLEFRSA-N -1 1 517.006 6.364 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009302180 553236342 /nfs/dbraw/zinc/23/63/42/553236342.db2.gz JIHDXVZDWZGFEJ-QFIPXVFZSA-N -1 1 504.608 5.843 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009302165 553236380 /nfs/dbraw/zinc/23/63/80/553236380.db2.gz MMYIGFIXUQHBJD-OAQYLSRUSA-N -1 1 504.608 5.709 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009328539 553241961 /nfs/dbraw/zinc/24/19/61/553241961.db2.gz XIULONGUYYJSNQ-BZQUYTCOSA-N -1 1 514.578 6.104 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000009329431 553242424 /nfs/dbraw/zinc/24/24/24/553242424.db2.gz PRLIEDLPRWOWBR-GTJPDFRWSA-N -1 1 508.983 5.414 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000009357947 553247304 /nfs/dbraw/zinc/24/73/04/553247304.db2.gz IWUWXJDJEHBDJR-ZAMGYDSWSA-N -1 1 504.514 5.681 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000009358864 553247650 /nfs/dbraw/zinc/24/76/50/553247650.db2.gz MKOUKGYIZSGCJS-HHHXNRCGSA-N -1 1 510.546 5.744 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000009358864 553247653 /nfs/dbraw/zinc/24/76/53/553247653.db2.gz MKOUKGYIZSGCJS-HHHXNRCGSA-N -1 1 510.546 5.744 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000009358691 553247684 /nfs/dbraw/zinc/24/76/84/553247684.db2.gz HWWRTYPEFIDGNN-ZLOXQWCVSA-N -1 1 504.514 5.681 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009373729 553250489 /nfs/dbraw/zinc/25/04/89/553250489.db2.gz DBTLCABPVWVVCQ-LFPIHBKWSA-N -1 1 516.550 5.550 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009375233 553251212 /nfs/dbraw/zinc/25/12/12/553251212.db2.gz FMCAHRZBVSLDDY-QHCPKHFHSA-N -1 1 504.564 5.778 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009424561 553258686 /nfs/dbraw/zinc/25/86/86/553258686.db2.gz YQXCDQGBYUELID-HXUWFJFHSA-N -1 1 502.832 6.050 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000009436555 553264528 /nfs/dbraw/zinc/26/45/28/553264528.db2.gz HWWRTYPEFIDGNN-NPMABZOXSA-N -1 1 504.514 5.681 50 30 KKEAMM Cc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000009460775 553266922 /nfs/dbraw/zinc/26/69/22/553266922.db2.gz FWKUYQGBBILCJA-QHCPKHFHSA-N -1 1 518.978 5.812 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000009460775 553266924 /nfs/dbraw/zinc/26/69/24/553266924.db2.gz FWKUYQGBBILCJA-QHCPKHFHSA-N -1 1 518.978 5.812 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)sc2c1 ZINC000009460798 553266964 /nfs/dbraw/zinc/26/69/64/553266964.db2.gz ZEMQXHJTSPXASY-PUAOIOHZSA-N -1 1 512.587 5.801 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000009461159 553267355 /nfs/dbraw/zinc/26/73/55/553267355.db2.gz VFCNYVJGKCUCOH-XMMPIXPASA-N -1 1 516.575 5.501 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccs2)cc1 ZINC000009461233 553267571 /nfs/dbraw/zinc/26/75/71/553267571.db2.gz IRAILGPBRGGKPX-LJQANCHMSA-N -1 1 512.609 5.261 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009461423 553267596 /nfs/dbraw/zinc/26/75/96/553267596.db2.gz MVKRNUNAEWKDEA-VWLOTQADSA-N -1 1 514.603 6.185 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009600897 553286191 /nfs/dbraw/zinc/28/61/91/553286191.db2.gz YPRBGGORIUNKEU-NRFANRHFSA-N -1 1 504.951 5.519 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000013548375 553469999 /nfs/dbraw/zinc/46/99/99/553469999.db2.gz YYBRSMMUHYXKRF-XMMPIXPASA-N -1 1 516.575 5.413 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000013570835 553473916 /nfs/dbraw/zinc/47/39/16/553473916.db2.gz GPQKBGHVUVIGRS-VWLOTQADSA-N -1 1 514.603 6.049 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000013571759 553474099 /nfs/dbraw/zinc/47/40/99/553474099.db2.gz VPXNQFSYLZRSIP-OAQYLSRUSA-N -1 1 522.554 5.033 50 30 KKEAMM CCCCCCCN1C(=O)N(c2ccc(Cl)cc2)[C@@H](N([O-])C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000097949732 553802771 /nfs/dbraw/zinc/80/27/71/553802771.db2.gz UUBYHMPZSNXTFM-QFIPXVFZSA-N -1 1 507.462 7.234 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000097952172 553813804 /nfs/dbraw/zinc/81/38/04/553813804.db2.gz YIRMKWVPBHOQNA-DEOSSOPVSA-N -1 1 546.601 5.422 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000097952290 553814711 /nfs/dbraw/zinc/81/47/11/553814711.db2.gz OXRWTTSEIGGIOL-VWLOTQADSA-N -1 1 540.597 5.600 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952291 553814744 /nfs/dbraw/zinc/81/47/44/553814744.db2.gz OLKSEXBDGNLRJW-HSZRJFAPSA-N -1 1 549.446 6.413 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952291 553814747 /nfs/dbraw/zinc/81/47/47/553814747.db2.gz OLKSEXBDGNLRJW-HSZRJFAPSA-N -1 1 549.446 6.413 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952445 553815720 /nfs/dbraw/zinc/81/57/20/553815720.db2.gz HEAFGJUKBSHDIM-SANMLTNESA-N -1 1 528.630 6.439 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000097952470 553816021 /nfs/dbraw/zinc/81/60/21/553816021.db2.gz ODFVSBDNIXCZNW-AREMUKBSSA-N -1 1 528.630 6.439 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097952518 553816259 /nfs/dbraw/zinc/81/62/59/553816259.db2.gz XKBOLMMSDLSLTR-HXUWFJFHSA-N -1 1 525.449 6.466 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097952590 553817088 /nfs/dbraw/zinc/81/70/88/553817088.db2.gz WUXWEPQGIRNUEO-AREMUKBSSA-N -1 1 544.629 6.194 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000097953030 553818963 /nfs/dbraw/zinc/81/89/63/553818963.db2.gz UZUOAWMUNXDLLU-XMMPIXPASA-N -1 1 532.549 5.388 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955056 553827817 /nfs/dbraw/zinc/82/78/17/553827817.db2.gz OUFQQDVSJKWBMO-OZAJXLCCSA-N -1 1 549.004 5.770 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097955048 553827916 /nfs/dbraw/zinc/82/79/16/553827916.db2.gz SYPFXUZTYMJRLX-SANMLTNESA-N -1 1 600.649 5.623 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955060 553827963 /nfs/dbraw/zinc/82/79/63/553827963.db2.gz COHFWDCMQFYUEK-ZLOXQWCVSA-N -1 1 537.424 6.709 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097955066 553828035 /nfs/dbraw/zinc/82/80/35/553828035.db2.gz CVIVALUQPFKQKY-VWLOTQADSA-N -1 1 606.653 5.146 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000097955072 553828273 /nfs/dbraw/zinc/82/82/73/553828273.db2.gz YFNVHVSNWPDBPD-YHAMSUFESA-N -1 1 542.613 5.810 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097955091 553828341 /nfs/dbraw/zinc/82/83/41/553828341.db2.gz KCWSQGLZNSUALN-JCQPUDPBSA-N -1 1 565.420 6.304 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000097955104 553828776 /nfs/dbraw/zinc/82/87/76/553828776.db2.gz WGCVCFRTSUQHMQ-JWIGPWBQSA-N -1 1 572.639 5.906 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1O ZINC000097955121 553828793 /nfs/dbraw/zinc/82/87/93/553828793.db2.gz XGMGPSDZBMMGRY-YHAMSUFESA-N -1 1 542.613 5.734 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097955172 553829408 /nfs/dbraw/zinc/82/94/08/553829408.db2.gz KQPYGYLAGMSVCU-FYSMJZIKSA-N -1 1 560.628 5.299 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097955172 553829411 /nfs/dbraw/zinc/82/94/11/553829411.db2.gz KQPYGYLAGMSVCU-FYSMJZIKSA-N -1 1 560.628 5.299 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955177 553829423 /nfs/dbraw/zinc/82/94/23/553829423.db2.gz HPVCZNGJTYIQHD-SXBQZSJRSA-N -1 1 563.031 6.160 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955177 553829426 /nfs/dbraw/zinc/82/94/26/553829426.db2.gz HPVCZNGJTYIQHD-SXBQZSJRSA-N -1 1 563.031 6.160 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097955198 553829827 /nfs/dbraw/zinc/82/98/27/553829827.db2.gz HLWCUSDINRGWJD-FYSMJZIKSA-N -1 1 546.645 5.858 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097955235 553830290 /nfs/dbraw/zinc/83/02/90/553830290.db2.gz OCUAPFYXMXACSF-MHZLTWQESA-N -1 1 582.678 6.471 50 30 KKEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000027527728 553831004 /nfs/dbraw/zinc/83/10/04/553831004.db2.gz OEWLKHQDFSOBIA-NRFANRHFSA-N -1 1 509.312 5.149 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000027529813 553831674 /nfs/dbraw/zinc/83/16/74/553831674.db2.gz RZABXKTUVMYLIN-IQMFZBJNSA-N -1 1 505.596 5.132 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000027529813 553831677 /nfs/dbraw/zinc/83/16/77/553831677.db2.gz RZABXKTUVMYLIN-IQMFZBJNSA-N -1 1 505.596 5.132 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000097955606 553832086 /nfs/dbraw/zinc/83/20/86/553832086.db2.gz CQVJWPJZRJXPRD-ZAMGYDSWSA-N -1 1 531.521 5.450 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097955686 553832833 /nfs/dbraw/zinc/83/28/33/553832833.db2.gz PYEUIRYLLVTZGS-OYLFLEFRSA-N -1 1 527.558 5.619 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955722 553833164 /nfs/dbraw/zinc/83/31/64/553833164.db2.gz OFJJFZRERNPNDG-WNSKOXEYSA-N -1 1 548.617 5.133 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955722 553833165 /nfs/dbraw/zinc/83/31/65/553833165.db2.gz OFJJFZRERNPNDG-WNSKOXEYSA-N -1 1 548.617 5.133 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097955729 553833226 /nfs/dbraw/zinc/83/32/26/553833226.db2.gz RAGZBCVUFQDARK-QTYPKTMWSA-N -1 1 636.701 7.519 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097955729 553833229 /nfs/dbraw/zinc/83/32/29/553833229.db2.gz RAGZBCVUFQDARK-QTYPKTMWSA-N -1 1 636.701 7.519 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(CC)cc3)sc2c1 ZINC000097955762 553833627 /nfs/dbraw/zinc/83/36/27/553833627.db2.gz BJMZJEDYOKHQIT-XGCWNURASA-N -1 1 540.641 6.364 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955781 553833838 /nfs/dbraw/zinc/83/38/38/553833838.db2.gz PCOKUXMMQZWNFL-MHZLTWQESA-N -1 1 591.085 7.073 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097955764 553833879 /nfs/dbraw/zinc/83/38/79/553833879.db2.gz SFSMCEZFUIKMPJ-WJOKGBTCSA-N -1 1 644.746 7.217 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097955764 553833882 /nfs/dbraw/zinc/83/38/82/553833882.db2.gz SFSMCEZFUIKMPJ-WJOKGBTCSA-N -1 1 644.746 7.217 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955771 553833895 /nfs/dbraw/zinc/83/38/95/553833895.db2.gz DBORTZYUYVMKJJ-DXPJPUQTSA-N -1 1 526.614 5.974 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000097955845 553834705 /nfs/dbraw/zinc/83/47/05/553834705.db2.gz LLTBIZLPLMRARC-BZQUYTCOSA-N -1 1 528.586 5.507 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955875 553834933 /nfs/dbraw/zinc/83/49/33/553834933.db2.gz HFXHBJCRGQIUGD-AKJBCIBTSA-N -1 1 542.613 5.810 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nccs2)cc(Br)c1O ZINC000027662442 553836188 /nfs/dbraw/zinc/83/61/88/553836188.db2.gz IERPDQFZFPZHBQ-GOSISDBHSA-N -1 1 515.385 5.020 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(C(C)(C)C)cc3)cc2)c1 ZINC000097956225 553836986 /nfs/dbraw/zinc/83/69/86/553836986.db2.gz TXHJBPAJCGPVTC-MHZLTWQESA-N -1 1 538.669 7.111 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097956555 553839400 /nfs/dbraw/zinc/83/94/00/553839400.db2.gz FXSFLJYGLYTHIK-YHAMSUFESA-N -1 1 542.588 6.107 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097956555 553839402 /nfs/dbraw/zinc/83/94/02/553839402.db2.gz FXSFLJYGLYTHIK-YHAMSUFESA-N -1 1 542.588 6.107 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097956537 553839413 /nfs/dbraw/zinc/83/94/13/553839413.db2.gz HATVPPTZTQFWCZ-SXBQZSJRSA-N -1 1 544.585 5.125 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097956537 553839414 /nfs/dbraw/zinc/83/94/14/553839414.db2.gz HATVPPTZTQFWCZ-SXBQZSJRSA-N -1 1 544.585 5.125 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097956855 553842597 /nfs/dbraw/zinc/84/25/97/553842597.db2.gz JZRDQESCVFJUJN-QHCPKHFHSA-N -1 1 566.632 5.135 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956871 553843044 /nfs/dbraw/zinc/84/30/44/553843044.db2.gz YCKFQEXNUSIDSH-OAQYLSRUSA-N -1 1 532.599 5.875 50 30 KKEAMM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(Br)cc2)c1 ZINC000097966763 553910003 /nfs/dbraw/zinc/91/00/03/553910003.db2.gz ZGHGHFROYVJYFM-HXUWFJFHSA-N -1 1 557.194 5.693 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000097966848 553911114 /nfs/dbraw/zinc/91/11/14/553911114.db2.gz KWBNTNDZSRDPQX-SANMLTNESA-N -1 1 557.628 5.534 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000097966849 553911135 /nfs/dbraw/zinc/91/11/35/553911135.db2.gz KWBNTNDZSRDPQX-AREMUKBSSA-N -1 1 557.628 5.534 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097966912 553911973 /nfs/dbraw/zinc/91/19/73/553911973.db2.gz KKOGUFSYQHZRAV-NRFANRHFSA-N -1 1 555.837 6.504 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967264 553915703 /nfs/dbraw/zinc/91/57/03/553915703.db2.gz UCUBHESGQFBZIC-QLXKLKPCSA-N -1 1 620.152 6.989 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097967260 553915720 /nfs/dbraw/zinc/91/57/20/553915720.db2.gz DLBLCRDWBDTUGJ-CPJLOUKISA-N -1 1 575.484 6.782 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967348 553917221 /nfs/dbraw/zinc/91/72/21/553917221.db2.gz MXUDVLQDTJPAEL-CLYVBNDRSA-N -1 1 601.725 7.199 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967348 553917225 /nfs/dbraw/zinc/91/72/25/553917225.db2.gz MXUDVLQDTJPAEL-CLYVBNDRSA-N -1 1 601.725 7.199 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967371 553917710 /nfs/dbraw/zinc/91/77/10/553917710.db2.gz QZGMFLBIMAGHDE-HPGBDJQBSA-N -1 1 586.666 6.209 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097967416 553918040 /nfs/dbraw/zinc/91/80/40/553918040.db2.gz QMGXVMABECFHJD-VKGTZQKMSA-N -1 1 554.668 6.890 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967400 553918045 /nfs/dbraw/zinc/91/80/45/553918045.db2.gz IRLDKSLTVSWVPR-HKBQPEDESA-N -1 1 620.683 6.828 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967400 553918046 /nfs/dbraw/zinc/91/80/46/553918046.db2.gz IRLDKSLTVSWVPR-HKBQPEDESA-N -1 1 620.683 6.828 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967399 553918069 /nfs/dbraw/zinc/91/80/69/553918069.db2.gz IRLDKSLTVSWVPR-WJOKGBTCSA-N -1 1 620.683 6.828 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097967399 553918070 /nfs/dbraw/zinc/91/80/70/553918070.db2.gz IRLDKSLTVSWVPR-WJOKGBTCSA-N -1 1 620.683 6.828 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097967425 553918488 /nfs/dbraw/zinc/91/84/88/553918488.db2.gz PPBWOGYIFHYKLO-HKBQPEDESA-N -1 1 620.683 6.828 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097967425 553918491 /nfs/dbraw/zinc/91/84/91/553918491.db2.gz PPBWOGYIFHYKLO-HKBQPEDESA-N -1 1 620.683 6.828 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097967444 553918521 /nfs/dbraw/zinc/91/85/21/553918521.db2.gz GAAUQLCHNSTAKL-GKVSMKOHSA-N -1 1 599.690 5.723 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000097967456 553918818 /nfs/dbraw/zinc/91/88/18/553918818.db2.gz JRKIGLPJKGMXEQ-ICACTRECSA-N -1 1 602.712 7.598 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967479 553918847 /nfs/dbraw/zinc/91/88/47/553918847.db2.gz DRKGSZLCPZJMID-OWJWWREXSA-N -1 1 561.457 6.474 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097967511 553919324 /nfs/dbraw/zinc/91/93/24/553919324.db2.gz PKHYSNXPYQVGPI-MHZLTWQESA-N -1 1 598.677 6.307 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000097967511 553919327 /nfs/dbraw/zinc/91/93/27/553919327.db2.gz PKHYSNXPYQVGPI-MHZLTWQESA-N -1 1 598.677 6.307 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967491 553919333 /nfs/dbraw/zinc/91/93/33/553919333.db2.gz OZCLRDYLTMVFHI-XDBZFTIUSA-N -1 1 589.113 7.625 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967491 553919337 /nfs/dbraw/zinc/91/93/37/553919337.db2.gz OZCLRDYLTMVFHI-XDBZFTIUSA-N -1 1 589.113 7.625 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097967561 553920125 /nfs/dbraw/zinc/92/01/25/553920125.db2.gz JKGKWCYTDKLGBW-WJOKGBTCSA-N -1 1 644.746 7.073 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097967561 553920127 /nfs/dbraw/zinc/92/01/27/553920127.db2.gz JKGKWCYTDKLGBW-WJOKGBTCSA-N -1 1 644.746 7.073 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097967577 553920231 /nfs/dbraw/zinc/92/02/31/553920231.db2.gz DZIAGLHPKDBBAD-GDLZYMKVSA-N -1 1 670.740 6.490 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097967587 553920510 /nfs/dbraw/zinc/92/05/10/553920510.db2.gz JLXAYMFFMKXVDE-CRICUBBOSA-N -1 1 576.671 5.913 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097967587 553920513 /nfs/dbraw/zinc/92/05/13/553920513.db2.gz JLXAYMFFMKXVDE-CRICUBBOSA-N -1 1 576.671 5.913 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)cc2)nc1C ZINC000097967648 553921452 /nfs/dbraw/zinc/92/14/52/553921452.db2.gz ZCDPOBMWERKMFB-HHHXNRCGSA-N -1 1 596.661 6.170 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967660 553921477 /nfs/dbraw/zinc/92/14/77/553921477.db2.gz XWMIYMVNVLGIBN-XDBZFTIUSA-N -1 1 570.667 6.590 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967702 553921980 /nfs/dbraw/zinc/92/19/80/553921980.db2.gz AUDIOSAGIXFCJF-JCOAXYOVSA-N -1 1 706.286 8.558 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967756 553922638 /nfs/dbraw/zinc/92/26/38/553922638.db2.gz PBIQVNCYQYZJOX-RUZDIDTESA-N -1 1 563.031 6.293 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967752 553922676 /nfs/dbraw/zinc/92/26/76/553922676.db2.gz SLHVHCHXIFFGPA-WTYVLRPYSA-N -1 1 611.745 6.810 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967771 553923217 /nfs/dbraw/zinc/92/32/17/553923217.db2.gz QWEFSURMYXRSCP-CBZJRKILSA-N -1 1 575.086 7.235 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967771 553923220 /nfs/dbraw/zinc/92/32/20/553923220.db2.gz QWEFSURMYXRSCP-CBZJRKILSA-N -1 1 575.086 7.235 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967773 553923230 /nfs/dbraw/zinc/92/32/30/553923230.db2.gz QWEFSURMYXRSCP-CRYYWNKWSA-N -1 1 575.086 7.235 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967773 553923231 /nfs/dbraw/zinc/92/32/31/553923231.db2.gz QWEFSURMYXRSCP-CRYYWNKWSA-N -1 1 575.086 7.235 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967805 553923652 /nfs/dbraw/zinc/92/36/52/553923652.db2.gz XKXGISCDPXUTEV-MQFAKOPTSA-N -1 1 634.710 6.999 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097967805 553923654 /nfs/dbraw/zinc/92/36/54/553923654.db2.gz XKXGISCDPXUTEV-MQFAKOPTSA-N -1 1 634.710 6.999 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000097967853 553923979 /nfs/dbraw/zinc/92/39/79/553923979.db2.gz NXCVWUZIHWXKHL-JGCGQSQUSA-N -1 1 693.803 7.362 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967842 553923986 /nfs/dbraw/zinc/92/39/86/553923986.db2.gz BZMSPPBTQPMMFS-JMQGSBJISA-N -1 1 570.667 6.590 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097967912 553924869 /nfs/dbraw/zinc/92/48/69/553924869.db2.gz MUKSVNQJAXTHKC-QHCPKHFHSA-N -1 1 561.616 5.524 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097967894 553924909 /nfs/dbraw/zinc/92/49/09/553924909.db2.gz GWXTVVNYTLHPRU-AREMUKBSSA-N -1 1 668.580 7.256 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967975 553925609 /nfs/dbraw/zinc/92/56/09/553925609.db2.gz HNZOOVNIBPEEAI-CBZJRKILSA-N -1 1 652.625 8.367 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967975 553925612 /nfs/dbraw/zinc/92/56/12/553925612.db2.gz HNZOOVNIBPEEAI-CBZJRKILSA-N -1 1 652.625 8.367 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000097967976 553925832 /nfs/dbraw/zinc/92/58/32/553925832.db2.gz OTYBYXGVVCOPAN-GDLZYMKVSA-N -1 1 643.787 7.118 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968040 553926544 /nfs/dbraw/zinc/92/65/44/553926544.db2.gz AKYFCUBNBJYFRR-GDLZYMKVSA-N -1 1 657.770 6.656 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968018 553926617 /nfs/dbraw/zinc/92/66/17/553926617.db2.gz RGPSHWFMFVTCSE-MHZLTWQESA-N -1 1 650.178 7.217 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097968095 553927487 /nfs/dbraw/zinc/92/74/87/553927487.db2.gz GEWMAJFXGGTLMA-MHZLTWQESA-N -1 1 628.131 7.191 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097968085 553927528 /nfs/dbraw/zinc/92/75/28/553927528.db2.gz GXUYAEXIFBNZOC-DEOSSOPVSA-N -1 1 619.652 5.310 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968083 553927545 /nfs/dbraw/zinc/92/75/45/553927545.db2.gz UKHGXKHOUXSLLH-SANMLTNESA-N -1 1 601.706 6.173 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968131 553928014 /nfs/dbraw/zinc/92/80/14/553928014.db2.gz XYEGYXVKEGNKHV-NDEPHWFRSA-N -1 1 680.204 7.225 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000097968122 553928034 /nfs/dbraw/zinc/92/80/34/553928034.db2.gz MNIUILGNVNXFSA-MGBGTMOVSA-N -1 1 707.830 7.671 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097968162 553928283 /nfs/dbraw/zinc/92/82/83/553928283.db2.gz WEBPSHQTYZVXAD-XDBZFTIUSA-N -1 1 572.658 7.111 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097968162 553928287 /nfs/dbraw/zinc/92/82/87/553928287.db2.gz WEBPSHQTYZVXAD-XDBZFTIUSA-N -1 1 572.658 7.111 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097968158 553928358 /nfs/dbraw/zinc/92/83/58/553928358.db2.gz WKWRSWGKHUOIBH-MRDQGFSESA-N -1 1 560.672 6.329 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097968165 553928769 /nfs/dbraw/zinc/92/87/69/553928769.db2.gz WEBPSHQTYZVXAD-WRHNGFHOSA-N -1 1 572.658 7.111 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097968165 553928771 /nfs/dbraw/zinc/92/87/71/553928771.db2.gz WEBPSHQTYZVXAD-WRHNGFHOSA-N -1 1 572.658 7.111 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097968208 553929067 /nfs/dbraw/zinc/92/90/67/553929067.db2.gz ZKVPKAHBVFMIKX-MGBGTMOVSA-N -1 1 709.846 8.115 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968216 553929113 /nfs/dbraw/zinc/92/91/13/553929113.db2.gz RPTUOCPKZWPEEX-MUUNZHRXSA-N -1 1 698.650 8.260 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097968260 553929585 /nfs/dbraw/zinc/92/95/85/553929585.db2.gz NAYYPMLARVEMPN-MUUNZHRXSA-N -1 1 680.204 7.225 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097968232 553929651 /nfs/dbraw/zinc/92/96/51/553929651.db2.gz IOCMNPPNCPEVOZ-XMMPIXPASA-N -1 1 591.642 5.532 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968293 553929885 /nfs/dbraw/zinc/92/98/85/553929885.db2.gz KTIMJXXFBLDIER-AREMUKBSSA-N -1 1 634.135 6.603 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968281 553929939 /nfs/dbraw/zinc/92/99/39/553929939.db2.gz HSFXQUUUUVSLAU-MUUNZHRXSA-N -1 1 647.750 6.949 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097968287 553930137 /nfs/dbraw/zinc/93/01/37/553930137.db2.gz HEPIOCKASUSLLO-XMMPIXPASA-N -1 1 636.107 5.825 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000097968328 553930730 /nfs/dbraw/zinc/93/07/30/553930730.db2.gz NSGKPDXQAUPSFC-QHCPKHFHSA-N -1 1 594.070 5.744 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968335 553930765 /nfs/dbraw/zinc/93/07/65/553930765.db2.gz SNGGSHYCESCDAU-SHACYNPGSA-N -1 1 644.989 7.897 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968332 553930843 /nfs/dbraw/zinc/93/08/43/553930843.db2.gz FPVZOGFJPSNJQB-LJAQVGFWSA-N -1 1 659.786 6.880 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968374 553931371 /nfs/dbraw/zinc/93/13/71/553931371.db2.gz WJOFJUSIWLHHAV-ADSBAMQRSA-N -1 1 726.704 8.821 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000033354873 553931946 /nfs/dbraw/zinc/93/19/46/553931946.db2.gz OFPSPPPCWWWDFA-JOCHJYFZSA-N -1 1 540.797 5.980 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097968393 553932043 /nfs/dbraw/zinc/93/20/43/553932043.db2.gz ZFDHVNXXVPOGMI-KWMCUTETSA-N -1 1 609.704 7.229 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000033355501 553934956 /nfs/dbraw/zinc/93/49/56/553934956.db2.gz ALMHBFVIOBNKKR-QFIPXVFZSA-N -1 1 600.005 5.460 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000097968986 553935459 /nfs/dbraw/zinc/93/54/59/553935459.db2.gz BSLZHWHMYYQGRE-RUZDIDTESA-N -1 1 576.627 5.512 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000097968986 553935463 /nfs/dbraw/zinc/93/54/63/553935463.db2.gz BSLZHWHMYYQGRE-RUZDIDTESA-N -1 1 576.627 5.512 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000097968985 553935478 /nfs/dbraw/zinc/93/54/78/553935478.db2.gz BSLZHWHMYYQGRE-VWLOTQADSA-N -1 1 576.627 5.512 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000097968985 553935480 /nfs/dbraw/zinc/93/54/80/553935480.db2.gz BSLZHWHMYYQGRE-VWLOTQADSA-N -1 1 576.627 5.512 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000097969061 553936204 /nfs/dbraw/zinc/93/62/04/553936204.db2.gz ICXSCHWZKFDWNT-QFIPXVFZSA-N -1 1 551.418 5.859 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097969152 553936859 /nfs/dbraw/zinc/93/68/59/553936859.db2.gz TYMNZXQCKWJBOY-GDLZYMKVSA-N -1 1 624.759 7.596 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097969153 553936924 /nfs/dbraw/zinc/93/69/24/553936924.db2.gz TYMNZXQCKWJBOY-LJAQVGFWSA-N -1 1 624.759 7.596 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000097969177 553937299 /nfs/dbraw/zinc/93/72/99/553937299.db2.gz LHNZIVSRQHGGMV-HKBQPEDESA-N -1 1 604.684 7.046 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097969156 553937338 /nfs/dbraw/zinc/93/73/38/553937338.db2.gz ARVUTJUCXDOALP-WRHNGFHOSA-N -1 1 570.667 6.508 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969181 553937420 /nfs/dbraw/zinc/93/74/20/553937420.db2.gz DZOSDCCNZQUXFW-DWXRJYCRSA-N -1 1 590.698 6.159 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969181 553937424 /nfs/dbraw/zinc/93/74/24/553937424.db2.gz DZOSDCCNZQUXFW-DWXRJYCRSA-N -1 1 590.698 6.159 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000097969210 553937848 /nfs/dbraw/zinc/93/78/48/553937848.db2.gz BJFITNPNICJEEC-JBEBIEQOSA-N -1 1 607.482 6.188 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000097969210 553937851 /nfs/dbraw/zinc/93/78/51/553937851.db2.gz BJFITNPNICJEEC-JBEBIEQOSA-N -1 1 607.482 6.188 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000097969211 553937858 /nfs/dbraw/zinc/93/78/58/553937858.db2.gz BJFITNPNICJEEC-SHACYNPGSA-N -1 1 607.482 6.188 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(Br)c1O ZINC000097969211 553937863 /nfs/dbraw/zinc/93/78/63/553937863.db2.gz BJFITNPNICJEEC-SHACYNPGSA-N -1 1 607.482 6.188 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969189 553937982 /nfs/dbraw/zinc/93/79/82/553937982.db2.gz WFYJULAQFDODCZ-HAWMADMCSA-N -1 1 577.058 6.463 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969223 553938403 /nfs/dbraw/zinc/93/84/03/553938403.db2.gz QXRKLODPIHWLMY-JWIGPWBQSA-N -1 1 591.085 6.853 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969223 553938407 /nfs/dbraw/zinc/93/84/07/553938407.db2.gz QXRKLODPIHWLMY-JWIGPWBQSA-N -1 1 591.085 6.853 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)s2)cc1 ZINC000097969299 553939210 /nfs/dbraw/zinc/93/92/10/553939210.db2.gz ZBWYUCRNHVOJPS-SSOJOUAXSA-N -1 1 573.671 6.384 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969284 553939305 /nfs/dbraw/zinc/93/93/05/553939305.db2.gz ZSFREEOKHPESSI-XRHLQHRESA-N -1 1 632.163 7.155 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097969303 553939368 /nfs/dbraw/zinc/93/93/68/553939368.db2.gz IYRWEOCMHHKBJK-KKIUXKEOSA-N -1 1 639.129 7.644 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969295 553939478 /nfs/dbraw/zinc/93/94/78/553939478.db2.gz WUUBQBIYFDFACY-PIIWDFAUSA-N -1 1 613.761 7.116 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000097969318 553939734 /nfs/dbraw/zinc/93/97/34/553939734.db2.gz YUAOKSKFRFCXMM-LDLUVENISA-N -1 1 600.693 6.599 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000097969362 553940169 /nfs/dbraw/zinc/94/01/69/553940169.db2.gz VUOXJNAFLMSOLU-JCQPUDPBSA-N -1 1 581.875 6.819 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097969532 553941897 /nfs/dbraw/zinc/94/18/97/553941897.db2.gz GRHXUZGHDYYOQO-JGCGQSQUSA-N -1 1 660.748 8.091 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969580 553942595 /nfs/dbraw/zinc/94/25/95/553942595.db2.gz VNRUWBAMHCCOSQ-ICACTRECSA-N -1 1 626.775 7.987 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097969630 553942922 /nfs/dbraw/zinc/94/29/22/553942922.db2.gz VNOLUFFCOHFMTP-ACSYHNTCSA-N -1 1 568.695 7.280 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097969628 553942962 /nfs/dbraw/zinc/94/29/62/553942962.db2.gz VNOLUFFCOHFMTP-AFJIDDCJSA-N -1 1 568.695 7.280 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000097969658 553943350 /nfs/dbraw/zinc/94/33/50/553943350.db2.gz SKXFWEJXRCDMKE-XRHLQHRESA-N -1 1 620.724 6.168 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000097969658 553943353 /nfs/dbraw/zinc/94/33/53/553943353.db2.gz SKXFWEJXRCDMKE-XRHLQHRESA-N -1 1 620.724 6.168 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969635 553943507 /nfs/dbraw/zinc/94/35/07/553943507.db2.gz ACJNYJQJTNARRZ-DLUDVSRJSA-N -1 1 563.031 6.073 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969635 553943510 /nfs/dbraw/zinc/94/35/10/553943510.db2.gz ACJNYJQJTNARRZ-DLUDVSRJSA-N -1 1 563.031 6.073 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097969632 553943532 /nfs/dbraw/zinc/94/35/32/553943532.db2.gz WXXOOPIWBHINHL-HHHXNRCGSA-N -1 1 556.640 6.373 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969796 553944905 /nfs/dbraw/zinc/94/49/05/553944905.db2.gz YHCBRCGWUKOMAX-WRONEBCDSA-N -1 1 645.778 7.645 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969780 553945114 /nfs/dbraw/zinc/94/51/14/553945114.db2.gz MURYTZLSDOZNHE-NHRFMIRVSA-N -1 1 677.848 8.515 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969821 553945502 /nfs/dbraw/zinc/94/55/02/553945502.db2.gz CTEFDNGIPHSPPD-LDLUVENISA-N -1 1 600.693 6.599 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969821 553945505 /nfs/dbraw/zinc/94/55/05/553945505.db2.gz CTEFDNGIPHSPPD-LDLUVENISA-N -1 1 600.693 6.599 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969832 553945574 /nfs/dbraw/zinc/94/55/74/553945574.db2.gz DXDSHLHFSQDNSQ-CLYVBNDRSA-N -1 1 617.724 6.865 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969815 553945660 /nfs/dbraw/zinc/94/56/60/553945660.db2.gz XOHKPPDYFSDTPN-PRAQEBQASA-N -1 1 598.721 7.207 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969861 553945899 /nfs/dbraw/zinc/94/58/99/553945899.db2.gz HMFOROSSGMGAEQ-GDJIYFAZSA-N -1 1 629.760 6.734 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097969839 553945910 /nfs/dbraw/zinc/94/59/10/553945910.db2.gz KXGYQRZJBARZSK-JMQGSBJISA-N -1 1 682.651 8.422 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969897 553946599 /nfs/dbraw/zinc/94/65/99/553946599.db2.gz PXQLJGLLPHLVNG-UULLZXFKSA-N -1 1 605.112 7.244 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969908 553946969 /nfs/dbraw/zinc/94/69/69/553946969.db2.gz VVECYNPUMUNUOT-LBEKAKSKSA-N -1 1 619.139 7.634 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969908 553946971 /nfs/dbraw/zinc/94/69/71/553946971.db2.gz VVECYNPUMUNUOT-LBEKAKSKSA-N -1 1 619.139 7.634 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969958 553947256 /nfs/dbraw/zinc/94/72/56/553947256.db2.gz MVASUSTXHAGVKS-WRONEBCDSA-N -1 1 643.787 7.124 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000097969939 553947335 /nfs/dbraw/zinc/94/73/35/553947335.db2.gz GYKLCLJWQOEHGC-HHHXNRCGSA-N -1 1 582.678 6.607 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000097969939 553947338 /nfs/dbraw/zinc/94/73/38/553947338.db2.gz GYKLCLJWQOEHGC-HHHXNRCGSA-N -1 1 582.678 6.607 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969978 553947763 /nfs/dbraw/zinc/94/77/63/553947763.db2.gz BBOKVUNJXFWJAH-ADSBAMQRSA-N -1 1 614.720 6.989 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097969972 553947847 /nfs/dbraw/zinc/94/78/47/553947847.db2.gz HPIFBDUJHKNDTA-WZQKQDCOSA-N -1 1 558.612 5.428 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000097970002 553948225 /nfs/dbraw/zinc/94/82/25/553948225.db2.gz PBSJQHLTLPOXDS-KCEHZKJRSA-N -1 1 602.712 7.598 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970071 553948989 /nfs/dbraw/zinc/94/89/89/553948989.db2.gz ANSKROOFOOKZOM-ADXZGYQBSA-N -1 1 584.694 6.980 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097970060 553949030 /nfs/dbraw/zinc/94/90/30/553949030.db2.gz NNCXIDOEKGINQL-WXTAPIANSA-N -1 1 613.717 6.032 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970063 553949102 /nfs/dbraw/zinc/94/91/02/553949102.db2.gz ODYGJAOXOGXNQP-LMKMVOKYSA-N -1 1 590.654 5.308 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970063 553949106 /nfs/dbraw/zinc/94/91/06/553949106.db2.gz ODYGJAOXOGXNQP-LMKMVOKYSA-N -1 1 590.654 5.308 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970099 553949545 /nfs/dbraw/zinc/94/95/45/553949545.db2.gz FVHNFIAVIYRGIR-SSEXGKCCSA-N -1 1 614.720 7.045 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097970181 553950424 /nfs/dbraw/zinc/95/04/24/553950424.db2.gz AQUGOHYNMIRTIO-WRONEBCDSA-N -1 1 646.762 6.724 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097970181 553950427 /nfs/dbraw/zinc/95/04/27/553950427.db2.gz AQUGOHYNMIRTIO-WRONEBCDSA-N -1 1 646.762 6.724 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000097970163 553950499 /nfs/dbraw/zinc/95/04/99/553950499.db2.gz VKGAEKLAXDFNPT-UKPGIYTDSA-N -1 1 689.831 7.899 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970210 553950941 /nfs/dbraw/zinc/95/09/41/553950941.db2.gz WIYCYUVWPIOKAT-MRDQGFSESA-N -1 1 606.697 5.922 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970210 553950943 /nfs/dbraw/zinc/95/09/43/553950943.db2.gz WIYCYUVWPIOKAT-MRDQGFSESA-N -1 1 606.697 5.922 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000097970298 553952015 /nfs/dbraw/zinc/95/20/15/553952015.db2.gz CYHPWIIOKUJGLE-NHRFMIRVSA-N -1 1 691.831 7.914 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970301 553952127 /nfs/dbraw/zinc/95/21/27/553952127.db2.gz SLPZXFOCVZWNEF-ACSYHNTCSA-N -1 1 645.778 7.501 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970279 553952161 /nfs/dbraw/zinc/95/21/61/553952161.db2.gz YLDPHRORZTYZJW-PUAOIOHZSA-N -1 1 606.125 6.599 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970303 553952577 /nfs/dbraw/zinc/95/25/77/553952577.db2.gz OHNPKJGVLJIHBL-CPJLOUKISA-N -1 1 617.680 5.862 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970354 553952913 /nfs/dbraw/zinc/95/29/13/553952913.db2.gz FEDSZVVEADCJKH-CLYVBNDRSA-N -1 1 601.725 7.199 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970354 553952915 /nfs/dbraw/zinc/95/29/15/553952915.db2.gz FEDSZVVEADCJKH-CLYVBNDRSA-N -1 1 601.725 7.199 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970352 553952942 /nfs/dbraw/zinc/95/29/42/553952942.db2.gz SNEZQPHPIPIDLK-AREMUKBSSA-N -1 1 558.612 5.648 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097970352 553952944 /nfs/dbraw/zinc/95/29/44/553952944.db2.gz SNEZQPHPIPIDLK-AREMUKBSSA-N -1 1 558.612 5.648 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097970374 553953380 /nfs/dbraw/zinc/95/33/80/553953380.db2.gz CKDKCWQVUZDYDI-AREMUKBSSA-N -1 1 604.637 5.275 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097970381 553953424 /nfs/dbraw/zinc/95/34/24/553953424.db2.gz SQHOOHGSQFWUEC-SSEXGKCCSA-N -1 1 636.770 7.762 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097970488 553954882 /nfs/dbraw/zinc/95/48/82/553954882.db2.gz MCUHKIKQXSIJSQ-ULKXQASOSA-N -1 1 693.847 8.277 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097970507 553955057 /nfs/dbraw/zinc/95/50/57/553955057.db2.gz KMFMJBVZHCWPCZ-NDEPHWFRSA-N -1 1 642.686 5.770 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970552 553955942 /nfs/dbraw/zinc/95/59/42/553955942.db2.gz DUIUSWNCWUHUMV-IZHWHUGBSA-N -1 1 578.643 5.142 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970552 553955945 /nfs/dbraw/zinc/95/59/45/553955945.db2.gz DUIUSWNCWUHUMV-IZHWHUGBSA-N -1 1 578.643 5.142 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097970568 553955979 /nfs/dbraw/zinc/95/59/79/553955979.db2.gz FSZLIGBAXAQBIQ-SONOPUAISA-N -1 1 584.694 6.899 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970600 553956432 /nfs/dbraw/zinc/95/64/32/553956432.db2.gz LQEAFIDGTJGIRF-ADSBAMQRSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970600 553956433 /nfs/dbraw/zinc/95/64/33/553956433.db2.gz LQEAFIDGTJGIRF-ADSBAMQRSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097970632 553956671 /nfs/dbraw/zinc/95/66/71/553956671.db2.gz VXGNNTJHKOGTDX-YRVHBCJASA-N -1 1 619.139 7.634 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970628 553956836 /nfs/dbraw/zinc/95/68/36/553956836.db2.gz DUOMMFJASQHQCP-BGOLNKOXSA-N -1 1 666.752 6.878 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970628 553956840 /nfs/dbraw/zinc/95/68/40/553956840.db2.gz DUOMMFJASQHQCP-BGOLNKOXSA-N -1 1 666.752 6.878 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970621 553956888 /nfs/dbraw/zinc/95/68/88/553956888.db2.gz GUKXCQXNWWDRCV-AREMUKBSSA-N -1 1 560.628 5.812 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097970694 553957489 /nfs/dbraw/zinc/95/74/89/553957489.db2.gz FEXZMXFDWHMTQM-WRHNGFHOSA-N -1 1 604.725 6.584 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097970694 553957490 /nfs/dbraw/zinc/95/74/90/553957490.db2.gz FEXZMXFDWHMTQM-WRHNGFHOSA-N -1 1 604.725 6.584 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCC)c3)sc2c1 ZINC000097970677 553957529 /nfs/dbraw/zinc/95/75/29/553957529.db2.gz DFQQALJUILUIJC-XGCWNURASA-N -1 1 556.640 6.200 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970703 553957637 /nfs/dbraw/zinc/95/76/37/553957637.db2.gz UJSDQAAKPRUHAN-ODCWNRFASA-N -1 1 562.644 5.558 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970703 553957642 /nfs/dbraw/zinc/95/76/42/553957642.db2.gz UJSDQAAKPRUHAN-ODCWNRFASA-N -1 1 562.644 5.558 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970707 553957900 /nfs/dbraw/zinc/95/79/00/553957900.db2.gz WZILWEGIYCJNJB-DEOSSOPVSA-N -1 1 578.643 5.217 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000097970754 553958260 /nfs/dbraw/zinc/95/82/60/553958260.db2.gz WFUINECHQVUGTF-PMERELPUSA-N -1 1 590.657 7.260 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000097970747 553958330 /nfs/dbraw/zinc/95/83/30/553958330.db2.gz PWYZTXOLDASBGL-WKRVVKTRSA-N -1 1 671.841 7.760 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000097970752 553958356 /nfs/dbraw/zinc/95/83/56/553958356.db2.gz FITVUTYSXUATKF-DEOSSOPVSA-N -1 1 563.473 6.776 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097970989 553960284 /nfs/dbraw/zinc/96/02/84/553960284.db2.gz VRVOQYBJOKTFLX-GDLZYMKVSA-N -1 1 640.714 6.569 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097970990 553960320 /nfs/dbraw/zinc/96/03/20/553960320.db2.gz VRVOQYBJOKTFLX-LJAQVGFWSA-N -1 1 640.714 6.569 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000098046308 554137662 /nfs/dbraw/zinc/13/76/62/554137662.db2.gz KNUUPTHSUMEBOE-XMMPIXPASA-N -1 1 578.643 5.302 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046452 554138941 /nfs/dbraw/zinc/13/89/41/554138941.db2.gz HXMPTFVDWYGAFX-MUUNZHRXSA-N -1 1 599.778 7.916 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046452 554138943 /nfs/dbraw/zinc/13/89/43/554138943.db2.gz HXMPTFVDWYGAFX-MUUNZHRXSA-N -1 1 599.778 7.916 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000098046455 554139284 /nfs/dbraw/zinc/13/92/84/554139284.db2.gz NISNDFHUVRXLRA-VWLOTQADSA-N -1 1 636.593 7.555 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000098046454 554139386 /nfs/dbraw/zinc/13/93/86/554139386.db2.gz NISNDFHUVRXLRA-RUZDIDTESA-N -1 1 636.593 7.555 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046492 554139761 /nfs/dbraw/zinc/13/97/61/554139761.db2.gz UXTFAYKPPMMVNU-SSEXGKCCSA-N -1 1 669.756 7.349 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000098046488 554139770 /nfs/dbraw/zinc/13/97/70/554139770.db2.gz OUQOFPSDJZHCRF-RUZDIDTESA-N -1 1 593.677 7.070 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000098046539 554140362 /nfs/dbraw/zinc/14/03/62/554140362.db2.gz DLPCQUBJVZMJOC-HHHXNRCGSA-N -1 1 615.708 7.678 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4cccc(OC)c4o3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000098046641 554142015 /nfs/dbraw/zinc/14/20/15/554142015.db2.gz AVNKWCGFJKKTJX-LJQANCHMSA-N -1 1 538.965 5.429 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(Br)cc3)cc2)c1 ZINC000098046686 554142362 /nfs/dbraw/zinc/14/23/62/554142362.db2.gz WWNGGSCPPQLHRM-DEOSSOPVSA-N -1 1 561.457 6.576 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047231 554147942 /nfs/dbraw/zinc/14/79/42/554147942.db2.gz FVAKIRMXJJQDCQ-GDLZYMKVSA-N -1 1 625.747 8.003 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047235 554148031 /nfs/dbraw/zinc/14/80/31/554148031.db2.gz JKHVVQXWTISFGP-SSEXGKCCSA-N -1 1 639.774 8.393 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC000098047241 554148305 /nfs/dbraw/zinc/14/83/05/554148305.db2.gz UMQRQJREORCZEH-AREMUKBSSA-N -1 1 612.664 7.122 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098047298 554148901 /nfs/dbraw/zinc/14/89/01/554148901.db2.gz BYOCFQJZYXEORY-SANMLTNESA-N -1 1 613.648 6.207 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000098047306 554149203 /nfs/dbraw/zinc/14/92/03/554149203.db2.gz PYXXIYCIDUVMRH-MHZLTWQESA-N -1 1 617.749 6.809 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047314 554149213 /nfs/dbraw/zinc/14/92/13/554149213.db2.gz VJHPIFPIJNCIFI-NDEPHWFRSA-N -1 1 643.693 7.692 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccco2)cc1OC ZINC000098047321 554149262 /nfs/dbraw/zinc/14/92/62/554149262.db2.gz LTVUFXWDTWCBIF-RUZDIDTESA-N -1 1 585.663 6.377 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Br)c2)cc1F ZINC000098047316 554149336 /nfs/dbraw/zinc/14/93/36/554149336.db2.gz OPSLOZXNVGECRK-SANMLTNESA-N -1 1 662.562 7.677 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047363 554150009 /nfs/dbraw/zinc/15/00/09/554150009.db2.gz QCFZLRLYFWJPMR-NDEPHWFRSA-N -1 1 648.250 8.743 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047363 554150011 /nfs/dbraw/zinc/15/00/11/554150011.db2.gz QCFZLRLYFWJPMR-NDEPHWFRSA-N -1 1 648.250 8.743 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047386 554150017 /nfs/dbraw/zinc/15/00/17/554150017.db2.gz JXPCWJMFPKAQNJ-HSZRJFAPSA-N -1 1 567.664 5.649 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000098047372 554150147 /nfs/dbraw/zinc/15/01/47/554150147.db2.gz YMIDIKFVPBSSHO-AREMUKBSSA-N -1 1 587.723 6.801 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047414 554150430 /nfs/dbraw/zinc/15/04/30/554150430.db2.gz XMNDPRDONUHHRN-JGCGQSQUSA-N -1 1 698.266 9.025 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000098047410 554150465 /nfs/dbraw/zinc/15/04/65/554150465.db2.gz VKVLTUICXKWTJV-SSEXGKCCSA-N -1 1 643.831 8.361 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047432 554150954 /nfs/dbraw/zinc/15/09/54/554150954.db2.gz DZGRNIGFWOHFPH-MUUNZHRXSA-N -1 1 650.222 8.234 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047420 554150982 /nfs/dbraw/zinc/15/09/82/554150982.db2.gz HHLJAFVNDMXFRF-MUUNZHRXSA-N -1 1 633.767 7.720 50 30 KKEAMM CCCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000098047455 554151297 /nfs/dbraw/zinc/15/12/97/554151297.db2.gz FBZIBTFUBNXPCM-XIFFEERXSA-N -1 1 701.911 9.068 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047485 554151880 /nfs/dbraw/zinc/15/18/80/554151880.db2.gz PBUITCZRCMXHQR-MUUNZHRXSA-N -1 1 650.222 8.234 50 30 KKEAMM CCCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OC ZINC000098047481 554151901 /nfs/dbraw/zinc/15/19/01/554151901.db2.gz WMYFXNXFCQUDBJ-MGBGTMOVSA-N -1 1 736.356 9.803 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000098047534 554152118 /nfs/dbraw/zinc/15/21/18/554152118.db2.gz ORLQDWFIOWNCGN-XMMPIXPASA-N -1 1 630.550 7.766 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047526 554152290 /nfs/dbraw/zinc/15/22/90/554152290.db2.gz OFCCOXSNGPHSMG-HHHXNRCGSA-N -1 1 622.740 6.633 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047539 554152324 /nfs/dbraw/zinc/15/23/24/554152324.db2.gz ZAAKNRNBOLDEDW-NDEPHWFRSA-N -1 1 644.149 8.507 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C ZINC000098047544 554152591 /nfs/dbraw/zinc/15/25/91/554152591.db2.gz AQLDCGUHBRATAE-PMERELPUSA-N -1 1 662.805 7.724 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047561 554152698 /nfs/dbraw/zinc/15/26/98/554152698.db2.gz DJRTVLGHENFYLA-XMMPIXPASA-N -1 1 593.658 6.134 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047547 554152707 /nfs/dbraw/zinc/15/27/07/554152707.db2.gz OBFBNFKSZXOQDR-WJOKGBTCSA-N -1 1 673.857 8.370 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccccc2F)cc1 ZINC000098047598 554152961 /nfs/dbraw/zinc/15/29/61/554152961.db2.gz LUIFKGVYLKJAEU-SANMLTNESA-N -1 1 589.714 7.240 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047641 554154020 /nfs/dbraw/zinc/15/40/20/554154020.db2.gz OBVZEYXEULFPBA-HHHXNRCGSA-N -1 1 652.194 7.463 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(N(C)C)cc2)cc1F ZINC000098047719 554154755 /nfs/dbraw/zinc/15/47/55/554154755.db2.gz HCPMZPNPQLYOHC-MUUNZHRXSA-N -1 1 626.735 6.980 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccs2)cc1F ZINC000098047711 554154787 /nfs/dbraw/zinc/15/47/87/554154787.db2.gz AYTRPYQBOATZOY-XMMPIXPASA-N -1 1 589.695 6.976 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047722 554154906 /nfs/dbraw/zinc/15/49/06/554154906.db2.gz CTLFIHCIURAWPV-HKBQPEDESA-N -1 1 669.800 8.483 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Br)cc2)cc1F ZINC000098047708 554155062 /nfs/dbraw/zinc/15/50/62/554155062.db2.gz PPTBYCPLYOCZSN-SANMLTNESA-N -1 1 646.563 7.977 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047747 554155317 /nfs/dbraw/zinc/15/53/17/554155317.db2.gz XXRCWPLVGDLVSB-HHHXNRCGSA-N -1 1 581.694 7.522 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047760 554155761 /nfs/dbraw/zinc/15/57/61/554155761.db2.gz ZFIYFIDOAUZUTP-YTTGMZPUSA-N -1 1 697.835 7.971 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000098047771 554155795 /nfs/dbraw/zinc/15/57/95/554155795.db2.gz IZININIDGFGRJG-HHHXNRCGSA-N -1 1 613.692 6.923 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000098047764 554155852 /nfs/dbraw/zinc/15/58/52/554155852.db2.gz XHZOAYXLHNQCDF-MHZLTWQESA-N -1 1 640.699 6.692 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(O)c2)cc1OC ZINC000098047780 554155865 /nfs/dbraw/zinc/15/58/65/554155865.db2.gz JMFNYPQAGNPFCV-MHZLTWQESA-N -1 1 611.701 6.489 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000098047796 554156133 /nfs/dbraw/zinc/15/61/33/554156133.db2.gz LJWZGIJDZVDQMR-MHZLTWQESA-N -1 1 664.592 8.091 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000098047801 554156169 /nfs/dbraw/zinc/15/61/69/554156169.db2.gz ZYMSPJCCUCLJJE-MUUNZHRXSA-N -1 1 609.729 7.092 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047799 554156214 /nfs/dbraw/zinc/15/62/14/554156214.db2.gz IZHKRGDXJZWTMQ-SSEXGKCCSA-N -1 1 669.781 7.191 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047832 554156668 /nfs/dbraw/zinc/15/66/68/554156668.db2.gz FPSINOFPDVOUPT-MHZLTWQESA-N -1 1 625.703 7.001 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047831 554156773 /nfs/dbraw/zinc/15/67/73/554156773.db2.gz FPSINOFPDVOUPT-HHHXNRCGSA-N -1 1 625.703 7.001 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048035 554158820 /nfs/dbraw/zinc/15/88/20/554158820.db2.gz CJKLLEYDMYMOTL-RBSBEOHCSA-N -1 1 602.684 7.119 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048035 554158824 /nfs/dbraw/zinc/15/88/24/554158824.db2.gz CJKLLEYDMYMOTL-RBSBEOHCSA-N -1 1 602.684 7.119 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000098048015 554158877 /nfs/dbraw/zinc/15/88/77/554158877.db2.gz YFIWODWKYPPQMG-SANMLTNESA-N -1 1 554.624 6.030 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000098048015 554158878 /nfs/dbraw/zinc/15/88/78/554158878.db2.gz YFIWODWKYPPQMG-SANMLTNESA-N -1 1 554.624 6.030 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098048934 554162306 /nfs/dbraw/zinc/16/23/06/554162306.db2.gz XQUIVIWJFLGRJN-GDLZYMKVSA-N -1 1 676.845 8.597 50 30 KKEAMM CCCC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)c(C#N)c2)c([O-])c1 ZINC000098050361 554174061 /nfs/dbraw/zinc/17/40/61/554174061.db2.gz CHOPPMMJIORSTQ-YTTGMZPUSA-N -1 1 633.233 9.513 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000098050341 554174113 /nfs/dbraw/zinc/17/41/13/554174113.db2.gz DHSSBTFWRICZOS-NRFANRHFSA-N -1 1 539.009 5.548 50 30 KKEAMM COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3c([O-])ccc4ccccc43)N(C3CCCCC3)C1=O)S2 ZINC000100082801 554207621 /nfs/dbraw/zinc/20/76/21/554207621.db2.gz QMFSYEDDKISPON-BZUZNSEFSA-N -1 1 517.676 6.861 50 30 KKEAMM Cc1ccc(/N=C2\S/C(=C/c3ccc([O-])c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1Cl ZINC000036242380 554209715 /nfs/dbraw/zinc/20/97/15/554209715.db2.gz JVIZLLYHZBBVIQ-QDVJMUDCSA-N -1 1 503.838 7.778 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000100340482 554324911 /nfs/dbraw/zinc/32/49/11/554324911.db2.gz PVKFRVADIZVEJR-MRJHHRETSA-N -1 1 532.312 6.103 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053290098 554331207 /nfs/dbraw/zinc/33/12/07/554331207.db2.gz OYGFILRNYKXEHY-LJQANCHMSA-N -1 1 547.416 5.645 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000053290010 554331296 /nfs/dbraw/zinc/33/12/96/554331296.db2.gz CQDXQDMOCVHISH-HSZRJFAPSA-N -1 1 535.021 6.367 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000053291359 554331623 /nfs/dbraw/zinc/33/16/23/554331623.db2.gz UEYPUZXGCMBSNA-XMMPIXPASA-N -1 1 543.557 5.375 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000053291359 554331626 /nfs/dbraw/zinc/33/16/26/554331626.db2.gz UEYPUZXGCMBSNA-XMMPIXPASA-N -1 1 543.557 5.375 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053291517 554331812 /nfs/dbraw/zinc/33/18/12/554331812.db2.gz WGQSFFHCSZXSCR-QFIPXVFZSA-N -1 1 553.409 6.380 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053291623 554331973 /nfs/dbraw/zinc/33/19/73/554331973.db2.gz KZGBXDNKIYTPCM-IBGZPJMESA-N -1 1 557.422 5.101 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000053291790 554332090 /nfs/dbraw/zinc/33/20/90/554332090.db2.gz HNOGCPYGXXLIBB-AREMUKBSSA-N -1 1 574.611 5.353 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000053291790 554332092 /nfs/dbraw/zinc/33/20/92/554332092.db2.gz HNOGCPYGXXLIBB-AREMUKBSSA-N -1 1 574.611 5.353 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053305730 554332733 /nfs/dbraw/zinc/33/27/33/554332733.db2.gz GXIBNXCFWYUMKK-JOCHJYFZSA-N -1 1 536.631 5.783 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053306158 554333491 /nfs/dbraw/zinc/33/34/91/554333491.db2.gz LKPHAFWZNUZHDZ-QHCPKHFHSA-N -1 1 549.446 6.467 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053306335 554333973 /nfs/dbraw/zinc/33/39/73/554333973.db2.gz MAUCDRQOPAYXFT-DEOSSOPVSA-N -1 1 563.473 6.803 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053306335 554333977 /nfs/dbraw/zinc/33/39/77/554333977.db2.gz MAUCDRQOPAYXFT-DEOSSOPVSA-N -1 1 563.473 6.803 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000053306771 554334217 /nfs/dbraw/zinc/33/42/17/554334217.db2.gz HNPKNKYDBWRWEB-AREMUKBSSA-N -1 1 544.629 6.112 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000053306728 554334407 /nfs/dbraw/zinc/33/44/07/554334407.db2.gz IIRDJWGAAQSTPX-IBGZPJMESA-N -1 1 593.069 6.152 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000053307017 554334661 /nfs/dbraw/zinc/33/46/61/554334661.db2.gz CQFYQYZEIRGOQV-MQNRADLISA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000053307017 554334656 /nfs/dbraw/zinc/33/46/56/554334656.db2.gz CQFYQYZEIRGOQV-MQNRADLISA-N -1 1 530.577 5.940 50 30 KKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1 ZINC000053307068 554334786 /nfs/dbraw/zinc/33/47/86/554334786.db2.gz WDYONMREQQWWIS-SFHVURJKSA-N -1 1 515.385 6.042 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053307512 554335209 /nfs/dbraw/zinc/33/52/09/554335209.db2.gz YNQZPWXAVUXXRV-IBGZPJMESA-N -1 1 547.416 5.645 50 30 KKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053307869 554335378 /nfs/dbraw/zinc/33/53/78/554335378.db2.gz KCCBHIWAMRUWIT-QFIPXVFZSA-N -1 1 525.786 5.844 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053319124 554335975 /nfs/dbraw/zinc/33/59/75/554335975.db2.gz FENKUHQYKAQWMP-JOCHJYFZSA-N -1 1 537.410 6.598 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000053319155 554336388 /nfs/dbraw/zinc/33/63/88/554336388.db2.gz PZKZYYUYCQBUJR-QFIPXVFZSA-N -1 1 553.865 7.112 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053319218 554336678 /nfs/dbraw/zinc/33/66/78/554336678.db2.gz HFNLPKIVWLUQSK-QFIPXVFZSA-N -1 1 535.419 6.240 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053319252 554336916 /nfs/dbraw/zinc/33/69/16/554336916.db2.gz AITHIMCXEJSIMN-DEOSSOPVSA-N -1 1 551.020 6.149 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(Br)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053319498 554338319 /nfs/dbraw/zinc/33/83/19/554338319.db2.gz WYMGBXFWNASJBH-NRFANRHFSA-N -1 1 584.289 6.913 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000053319496 554338395 /nfs/dbraw/zinc/33/83/95/554338395.db2.gz DRYJSNDYYCJCJD-LJQANCHMSA-N -1 1 514.719 5.189 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000053332480 554339008 /nfs/dbraw/zinc/33/90/08/554339008.db2.gz LWHIMLHRXMWUTF-SANMLTNESA-N -1 1 588.638 5.493 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000053332109 554339067 /nfs/dbraw/zinc/33/90/67/554339067.db2.gz DUMLNVTXEMCNIV-FQEVSTJZSA-N -1 1 526.567 5.306 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053334003 554339837 /nfs/dbraw/zinc/33/98/37/554339837.db2.gz OIVIRFWQJWZEHY-DEOSSOPVSA-N -1 1 565.047 6.321 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053334003 554339841 /nfs/dbraw/zinc/33/98/41/554339841.db2.gz OIVIRFWQJWZEHY-DEOSSOPVSA-N -1 1 565.047 6.321 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000053333619 554339942 /nfs/dbraw/zinc/33/99/42/554339942.db2.gz SDOZOKKFGUHRRZ-QFIPXVFZSA-N -1 1 539.396 6.157 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053333600 554339961 /nfs/dbraw/zinc/33/99/61/554339961.db2.gz GFQUIQMJYATKQI-AREMUKBSSA-N -1 1 542.613 5.866 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053334838 554340184 /nfs/dbraw/zinc/34/01/84/554340184.db2.gz MDECOUXBDRFDQN-NDEPHWFRSA-N -1 1 570.667 6.646 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000053335108 554340581 /nfs/dbraw/zinc/34/05/81/554340581.db2.gz CUFKJRYYJSMKSC-DNOBIOAJSA-N -1 1 540.641 6.500 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053335543 554341007 /nfs/dbraw/zinc/34/10/07/554341007.db2.gz DLVMAFDXCCXOJM-HHHXNRCGSA-N -1 1 572.639 6.038 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053335543 554341010 /nfs/dbraw/zinc/34/10/10/554341010.db2.gz DLVMAFDXCCXOJM-HHHXNRCGSA-N -1 1 572.639 6.038 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000053336965 554342060 /nfs/dbraw/zinc/34/20/60/554342060.db2.gz AEXNIEADEBBHKL-RUZDIDTESA-N -1 1 544.585 5.258 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000053336965 554342062 /nfs/dbraw/zinc/34/20/62/554342062.db2.gz AEXNIEADEBBHKL-RUZDIDTESA-N -1 1 544.585 5.258 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053337397 554342073 /nfs/dbraw/zinc/34/20/73/554342073.db2.gz DDSJNLIMSLPMBL-LJAQVGFWSA-N -1 1 584.694 7.036 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCC)c3)sc2c1 ZINC000053337613 554342404 /nfs/dbraw/zinc/34/24/04/554342404.db2.gz JMHYZDZIJMXVAJ-SANMLTNESA-N -1 1 558.612 5.648 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCC)c3)sc2c1 ZINC000053337613 554342401 /nfs/dbraw/zinc/34/24/01/554342401.db2.gz JMHYZDZIJMXVAJ-SANMLTNESA-N -1 1 558.612 5.648 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000053338747 554342705 /nfs/dbraw/zinc/34/27/05/554342705.db2.gz QUUDKXHWTWMLFU-ZSEKCTLFSA-N -1 1 539.009 5.388 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053338377 554342802 /nfs/dbraw/zinc/34/28/02/554342802.db2.gz LVHQGMSWFNPGNZ-OQRWROFFSA-N -1 1 572.639 5.819 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000053338870 554343179 /nfs/dbraw/zinc/34/31/79/554343179.db2.gz VMQLPWCVMRDZBD-SPSFWMDKSA-N -1 1 555.414 6.849 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000053339268 554343220 /nfs/dbraw/zinc/34/32/20/554343220.db2.gz BLHXTJOJBYSLCF-DLUDVSRJSA-N -1 1 576.602 5.568 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000053339862 554343855 /nfs/dbraw/zinc/34/38/55/554343855.db2.gz DBORTZYUYVMKJJ-QMTYFTJSSA-N -1 1 526.614 5.974 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000053354706 554344590 /nfs/dbraw/zinc/34/45/90/554344590.db2.gz UTCDYJPQTOCUSP-HSZRJFAPSA-N -1 1 526.814 6.593 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000053354706 554344595 /nfs/dbraw/zinc/34/45/95/554344595.db2.gz UTCDYJPQTOCUSP-HSZRJFAPSA-N -1 1 526.814 6.593 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000100674873 554443200 /nfs/dbraw/zinc/44/32/00/554443200.db2.gz LBRVAJWPIMGXTK-DEOSSOPVSA-N -1 1 566.651 6.365 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000100674895 554443284 /nfs/dbraw/zinc/44/32/84/554443284.db2.gz UXDPNWRDWCNIHB-DEOSSOPVSA-N -1 1 627.557 6.989 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000100674891 554443294 /nfs/dbraw/zinc/44/32/94/554443294.db2.gz UXDPNWRDWCNIHB-XMMPIXPASA-N -1 1 627.557 6.989 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000100674850 554443329 /nfs/dbraw/zinc/44/33/29/554443329.db2.gz WKQREQVNUGDQQH-DEOSSOPVSA-N -1 1 583.106 6.880 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000100675286 554443360 /nfs/dbraw/zinc/44/33/60/554443360.db2.gz ARMMIXVDHHHZHX-XMMPIXPASA-N -1 1 583.106 6.880 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100675453 554443595 /nfs/dbraw/zinc/44/35/95/554443595.db2.gz GFZWVJCYVXVZES-DEOSSOPVSA-N -1 1 562.644 5.765 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100677192 554444196 /nfs/dbraw/zinc/44/41/96/554444196.db2.gz IKVFFZMNHYIOOA-SFHVURJKSA-N -1 1 535.380 5.775 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000100677697 554444649 /nfs/dbraw/zinc/44/46/49/554444649.db2.gz FEYBIMZYGRDZPL-XMMPIXPASA-N -1 1 558.587 6.261 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100677700 554444672 /nfs/dbraw/zinc/44/46/72/554444672.db2.gz LAPDXXYUJNBTIY-QFIPXVFZSA-N -1 1 538.597 5.647 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000100677299 554444677 /nfs/dbraw/zinc/44/46/77/554444677.db2.gz WHHCKOUJDOSJIP-DEOSSOPVSA-N -1 1 580.659 5.607 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000100679431 554445244 /nfs/dbraw/zinc/44/52/44/554445244.db2.gz LLDZJHSOEZRXCO-HSZRJFAPSA-N -1 1 534.634 5.898 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000100679431 554445246 /nfs/dbraw/zinc/44/52/46/554445246.db2.gz LLDZJHSOEZRXCO-HSZRJFAPSA-N -1 1 534.634 5.898 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100679734 554445684 /nfs/dbraw/zinc/44/56/84/554445684.db2.gz XWEJUKPOAWWIBU-VWLOTQADSA-N -1 1 562.688 6.713 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100679905 554445727 /nfs/dbraw/zinc/44/57/27/554445727.db2.gz XOUGQNJUQVUHPA-NDEPHWFRSA-N -1 1 636.767 7.024 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100679881 554445730 /nfs/dbraw/zinc/44/57/30/554445730.db2.gz JUSQYVHEPVSVML-RUZDIDTESA-N -1 1 576.671 6.155 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCC)cc2)nc1C ZINC000100680358 554446435 /nfs/dbraw/zinc/44/64/35/554446435.db2.gz QVPOHYXASYVVJH-AREMUKBSSA-N -1 1 590.698 6.545 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000100680370 554446518 /nfs/dbraw/zinc/44/65/18/554446518.db2.gz BKOVKFNRELTAIT-DEOSSOPVSA-N -1 1 562.644 5.765 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000100680349 554446524 /nfs/dbraw/zinc/44/65/24/554446524.db2.gz HTBDVYSNJINQDJ-HSZRJFAPSA-N -1 1 550.608 5.895 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100680415 554446680 /nfs/dbraw/zinc/44/66/80/554446680.db2.gz IBJFIBKKOSMTIG-AREMUKBSSA-N -1 1 588.726 7.054 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000100680685 554446854 /nfs/dbraw/zinc/44/68/54/554446854.db2.gz ZRYLZMBCDVNTFW-JOCHJYFZSA-N -1 1 536.606 5.209 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000100681025 554447256 /nfs/dbraw/zinc/44/72/56/554447256.db2.gz MVHIQVMWWQXIGO-DEOSSOPVSA-N -1 1 564.660 5.989 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000100681454 554447874 /nfs/dbraw/zinc/44/78/74/554447874.db2.gz AAEYXLFITXASEB-QFIPXVFZSA-N -1 1 554.596 5.266 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000100681484 554447899 /nfs/dbraw/zinc/44/78/99/554447899.db2.gz NPLSQTCNIKPYGC-JOCHJYFZSA-N -1 1 552.580 5.042 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[n-]c(=O)c1[C@H]2c1ccc(Br)cc1 ZINC000100888126 554509455 /nfs/dbraw/zinc/50/94/55/554509455.db2.gz ATGPZGQBJMIPFL-FQEVSTJZSA-N -1 1 556.913 6.679 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000101062627 554570636 /nfs/dbraw/zinc/57/06/36/554570636.db2.gz VAALXLODCWUHSS-ZHHPLPSFSA-N -1 1 523.427 6.484 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000101062495 554570643 /nfs/dbraw/zinc/57/06/43/554570643.db2.gz KEBDVNFCQQRJRR-NHFXJNLRSA-N -1 1 526.343 5.269 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000101069839 554574427 /nfs/dbraw/zinc/57/44/27/554574427.db2.gz UPPYWGYVLUBTMO-MRJHHRETSA-N -1 1 523.383 6.133 50 30 KKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Br)cc1 ZINC000101072877 554576582 /nfs/dbraw/zinc/57/65/82/554576582.db2.gz YXCQOMNBWWWNFL-SELCWUDQSA-N -1 1 515.385 5.886 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072991 554576609 /nfs/dbraw/zinc/57/66/09/554576609.db2.gz VZCHOAMYBRERII-IAMBOQNYSA-N -1 1 519.420 6.302 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101100210 554587183 /nfs/dbraw/zinc/58/71/83/554587183.db2.gz VJEOYVDWWSUJNM-HFEWCJDKSA-N -1 1 537.410 6.441 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000101101539 554638748 /nfs/dbraw/zinc/63/87/48/554638748.db2.gz VNUFXSJKPBOSAL-HOGKFDNTSA-N -1 1 583.847 6.110 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101654 554638810 /nfs/dbraw/zinc/63/88/10/554638810.db2.gz IJVYASUBARHRRY-QOJBNDRUSA-N -1 1 509.381 5.895 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000101276769 554703313 /nfs/dbraw/zinc/70/33/13/554703313.db2.gz BWFPGFSAFLPNIV-HOGKFDNTSA-N -1 1 518.591 5.046 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccnc2)nc1C ZINC000101278527 554705046 /nfs/dbraw/zinc/70/50/46/554705046.db2.gz BKDWXQNIUHFJOO-CJJGVWJISA-N -1 1 581.650 5.703 50 30 KKEAMM Cc1ccc(C)c(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)c1 ZINC000101292473 554709148 /nfs/dbraw/zinc/70/91/48/554709148.db2.gz JOAMSYVIZHLTNA-JOCHJYFZSA-N -1 1 540.516 7.186 50 30 KKEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)c(C)c1 ZINC000101292858 554709640 /nfs/dbraw/zinc/70/96/40/554709640.db2.gz IZYXUCYAPGRWIQ-JOCHJYFZSA-N -1 1 540.516 7.186 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294066 554710650 /nfs/dbraw/zinc/71/06/50/554710650.db2.gz HPYGWPOQIVBTHZ-CJJGVWJISA-N -1 1 526.614 6.058 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101293995 554710691 /nfs/dbraw/zinc/71/06/91/554710691.db2.gz YEWPOOWRUBXHDE-SBXHHDGASA-N -1 1 516.550 5.635 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294256 554710880 /nfs/dbraw/zinc/71/08/80/554710880.db2.gz DQQNPDMITVQYGI-OFNYXUPYSA-N -1 1 554.624 5.819 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101294216 554711025 /nfs/dbraw/zinc/71/10/25/554711025.db2.gz GYDKRBGTAFHIRU-NSOCNUKWSA-N -1 1 538.625 6.119 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101294334 554711204 /nfs/dbraw/zinc/71/12/04/554711204.db2.gz AOITVOYBGKHVGE-CZNAVJSXSA-N -1 1 540.597 5.567 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313374 554721898 /nfs/dbraw/zinc/72/18/98/554721898.db2.gz RHZWNBUVTBSJLJ-SBXHHDGASA-N -1 1 500.551 5.935 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313751 554722194 /nfs/dbraw/zinc/72/21/94/554722194.db2.gz DKLQAMORAQPBON-OFNYXUPYSA-N -1 1 554.624 5.819 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000101316567 554723694 /nfs/dbraw/zinc/72/36/94/554723694.db2.gz UYCHDWNIUWOMOU-XTUFCYCQSA-N -1 1 568.651 6.210 50 30 KKEAMM COc1cccc([C@@H]2c3c(=O)[n-]c(SCc4ccc(F)cc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000101376354 554746405 /nfs/dbraw/zinc/74/64/05/554746405.db2.gz NYXUMAQPFUXCEG-NRFANRHFSA-N -1 1 556.059 6.073 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000101974834 554862896 /nfs/dbraw/zinc/86/28/96/554862896.db2.gz QZYYIJGAOVWKKR-RUZDIDTESA-N -1 1 527.602 5.525 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076831 554875187 /nfs/dbraw/zinc/87/51/87/554875187.db2.gz XVNNAILFQOPKEZ-ONQGDUAMSA-N -1 1 591.085 6.772 50 30 KKEAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000102163853 554890353 /nfs/dbraw/zinc/89/03/53/554890353.db2.gz HELQEWNMIVNBBT-UHFFFAOYSA-N -1 1 510.362 5.454 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)ccc1O ZINC000102175802 554892312 /nfs/dbraw/zinc/89/23/12/554892312.db2.gz JYZJLSJPXURMPI-VWLOTQADSA-N -1 1 543.601 5.231 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102484861 554937962 /nfs/dbraw/zinc/93/79/62/554937962.db2.gz PABVTGRUJKJDKS-HOGKFDNTSA-N -1 1 520.994 5.902 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102484861 554937964 /nfs/dbraw/zinc/93/79/64/554937964.db2.gz PABVTGRUJKJDKS-HOGKFDNTSA-N -1 1 520.994 5.902 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102486295 554938288 /nfs/dbraw/zinc/93/82/88/554938288.db2.gz CJVFMMABZHQILG-SBXHHDGASA-N -1 1 540.597 6.047 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102487422 554938494 /nfs/dbraw/zinc/93/84/94/554938494.db2.gz KTNCHXMKEAOSFG-MOBKVPTQSA-N -1 1 554.983 5.741 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102486588 554938545 /nfs/dbraw/zinc/93/85/45/554938545.db2.gz YORPSBYUTQNHKG-SBXHHDGASA-N -1 1 558.587 6.186 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102491280 554939301 /nfs/dbraw/zinc/93/93/01/554939301.db2.gz OMSQQAVYGHMMCZ-AYWGPLOBSA-N -1 1 534.565 5.478 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102491626 554939373 /nfs/dbraw/zinc/93/93/73/554939373.db2.gz FRDDIIDBWNCYQT-JBCNATCCSA-N -1 1 511.386 6.238 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102493873 554940039 /nfs/dbraw/zinc/94/00/39/554940039.db2.gz IYRGMKOPHHUHKH-MOBKVPTQSA-N -1 1 530.558 5.640 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102502527 554943765 /nfs/dbraw/zinc/94/37/65/554943765.db2.gz ZQLSIRLKVQIOSF-JBCNATCCSA-N -1 1 539.382 5.833 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102503498 554944021 /nfs/dbraw/zinc/94/40/21/554944021.db2.gz FCZNKQVLHGCHPH-HOGKFDNTSA-N -1 1 553.409 6.223 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102503477 554944026 /nfs/dbraw/zinc/94/40/26/554944026.db2.gz XUJCSSREDOPDNV-NXLSWJSLSA-N -1 1 500.576 5.638 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102507711 554945193 /nfs/dbraw/zinc/94/51/93/554945193.db2.gz SPJOWPMIZQJECS-UVDRRRQGSA-N -1 1 563.473 6.701 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102508659 554945621 /nfs/dbraw/zinc/94/56/21/554945621.db2.gz ARBQNQQESBHTGX-NXLSWJSLSA-N -1 1 500.576 5.557 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102508951 554945737 /nfs/dbraw/zinc/94/57/37/554945737.db2.gz ZHIICVXSPNNISA-ZHHPLPSFSA-N -1 1 504.995 6.283 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102508951 554945739 /nfs/dbraw/zinc/94/57/39/554945739.db2.gz ZHIICVXSPNNISA-ZHHPLPSFSA-N -1 1 504.995 6.283 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102508724 554945792 /nfs/dbraw/zinc/94/57/92/554945792.db2.gz VAETUBJVTSHTJK-ONQGDUAMSA-N -1 1 582.678 6.450 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102508724 554945794 /nfs/dbraw/zinc/94/57/94/554945794.db2.gz VAETUBJVTSHTJK-ONQGDUAMSA-N -1 1 582.678 6.450 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102517481 554948758 /nfs/dbraw/zinc/94/87/58/554948758.db2.gz JTCZLOPLZBGZBX-TXTDGAROSA-N -1 1 628.703 6.159 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102520297 554949332 /nfs/dbraw/zinc/94/93/32/554949332.db2.gz NDZPXKXJGZACOQ-QKJBWNOYSA-N -1 1 542.613 5.725 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102519269 554949385 /nfs/dbraw/zinc/94/93/85/554949385.db2.gz QVKXDOMMTNDNSU-ZHHPLPSFSA-N -1 1 565.445 6.092 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102527391 554952563 /nfs/dbraw/zinc/95/25/63/554952563.db2.gz MZPLAZHIBFBRPL-NXLSWJSLSA-N -1 1 518.566 5.859 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102531075 554953911 /nfs/dbraw/zinc/95/39/11/554953911.db2.gz KUZKDNGBJSDSIU-NPJIAGGLSA-N -1 1 530.602 5.729 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102531075 554953912 /nfs/dbraw/zinc/95/39/12/554953912.db2.gz KUZKDNGBJSDSIU-NPJIAGGLSA-N -1 1 530.602 5.729 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102531204 554953935 /nfs/dbraw/zinc/95/39/35/554953935.db2.gz YKNXEQHURLVANE-NXLSWJSLSA-N -1 1 502.592 6.346 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102531204 554953936 /nfs/dbraw/zinc/95/39/36/554953936.db2.gz YKNXEQHURLVANE-NXLSWJSLSA-N -1 1 502.592 6.346 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102533922 554954945 /nfs/dbraw/zinc/95/49/45/554954945.db2.gz VJLNSHHNSGNWRL-AYWGPLOBSA-N -1 1 516.575 5.257 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102544475 554958412 /nfs/dbraw/zinc/95/84/12/554958412.db2.gz GEKZIOYNCCYTPI-VEZPTTSMSA-N -1 1 606.656 6.885 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102544547 554958707 /nfs/dbraw/zinc/95/87/07/554958707.db2.gz ZMAUQISYADBSRA-FECHNCLXSA-N -1 1 547.976 5.808 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102546502 554959536 /nfs/dbraw/zinc/95/95/36/554959536.db2.gz IYHXMZSUDCZHGI-NXLSWJSLSA-N -1 1 565.047 6.164 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102546502 554959538 /nfs/dbraw/zinc/95/95/38/554959538.db2.gz IYHXMZSUDCZHGI-NXLSWJSLSA-N -1 1 565.047 6.164 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102550627 554961681 /nfs/dbraw/zinc/96/16/81/554961681.db2.gz JVKAKSHLHFEMRQ-SBXHHDGASA-N -1 1 527.558 5.565 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102550936 554961786 /nfs/dbraw/zinc/96/17/86/554961786.db2.gz BNOYMCOFZVUNPY-ZORLYMSLSA-N -1 1 620.683 6.672 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102550936 554961787 /nfs/dbraw/zinc/96/17/87/554961787.db2.gz BNOYMCOFZVUNPY-ZORLYMSLSA-N -1 1 620.683 6.672 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102555378 554964047 /nfs/dbraw/zinc/96/40/47/554964047.db2.gz PSTWANZAFPUTRX-CZNAVJSXSA-N -1 1 586.641 6.281 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102555517 554964081 /nfs/dbraw/zinc/96/40/81/554964081.db2.gz RWQQUWIIFFJOOS-IKZPYDRGSA-N -1 1 590.698 6.181 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102555517 554964082 /nfs/dbraw/zinc/96/40/82/554964082.db2.gz RWQQUWIIFFJOOS-IKZPYDRGSA-N -1 1 590.698 6.181 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102556092 554964702 /nfs/dbraw/zinc/96/47/02/554964702.db2.gz HIKLZJMTTJPYPL-YYXRCVDTSA-N -1 1 558.612 5.359 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102559892 554967178 /nfs/dbraw/zinc/96/71/78/554967178.db2.gz PUNSBCOZYYCYSA-TXTDGAROSA-N -1 1 597.048 7.140 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102562771 554968678 /nfs/dbraw/zinc/96/86/78/554968678.db2.gz KUWBIPVPBQHEKA-FSDXSRJSSA-N -1 1 512.587 5.563 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000102563931 554969117 /nfs/dbraw/zinc/96/91/17/554969117.db2.gz RSCQKEAXOBTMHN-KYWXLPDZSA-N -1 1 504.514 5.524 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102564822 554969727 /nfs/dbraw/zinc/96/97/27/554969727.db2.gz UXGRPSNYHSLLJZ-YSJQHINGSA-N -1 1 604.684 6.834 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102574597 554971203 /nfs/dbraw/zinc/97/12/03/554971203.db2.gz JNLZAFHFFATULK-FLJNSMSWSA-N -1 1 578.621 7.177 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102574597 554971204 /nfs/dbraw/zinc/97/12/04/554971204.db2.gz JNLZAFHFFATULK-FLJNSMSWSA-N -1 1 578.621 7.177 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102580252 554972218 /nfs/dbraw/zinc/97/22/18/554972218.db2.gz BUHRNTXPCZGUPO-AYWGPLOBSA-N -1 1 612.516 6.535 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000102589818 554973820 /nfs/dbraw/zinc/97/38/20/554973820.db2.gz OKBVGDJVMRLNSO-LHDNAEKUSA-N -1 1 502.379 5.103 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102597703 554977065 /nfs/dbraw/zinc/97/70/65/554977065.db2.gz SGNBHFLAHISLHQ-CJJGVWJISA-N -1 1 601.706 6.017 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102602704 554977987 /nfs/dbraw/zinc/97/79/87/554977987.db2.gz IHAFYXDHGXPMTC-AIKCTZLLSA-N -1 1 592.098 6.139 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102607247 554979801 /nfs/dbraw/zinc/97/98/01/554979801.db2.gz NPUMQXUHTMQXFS-ZHHPLPSFSA-N -1 1 596.061 6.020 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102609071 554980843 /nfs/dbraw/zinc/98/08/43/554980843.db2.gz UGMJKFGGJMRBKC-UUALVTFQSA-N -1 1 599.734 6.660 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102615333 554984289 /nfs/dbraw/zinc/98/42/89/554984289.db2.gz JRTLDRGVCWHUEN-CJJGVWJISA-N -1 1 620.152 7.005 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102618540 554985494 /nfs/dbraw/zinc/98/54/94/554985494.db2.gz VJLBQZQUJWCPMJ-NSEAICKMSA-N -1 1 508.983 5.257 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102622294 554987420 /nfs/dbraw/zinc/98/74/20/554987420.db2.gz SRCRHELPRPYMBF-DEOSSOPVSA-N -1 1 578.643 5.389 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(OCC=C)cc2)nc1C ZINC000102622243 554987460 /nfs/dbraw/zinc/98/74/60/554987460.db2.gz VUODOMBOSOMISA-VWLOTQADSA-N -1 1 574.655 5.849 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(OCC=C)cc2)nc1C ZINC000102622243 554987462 /nfs/dbraw/zinc/98/74/62/554987462.db2.gz VUODOMBOSOMISA-VWLOTQADSA-N -1 1 574.655 5.849 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000102650845 554995565 /nfs/dbraw/zinc/99/55/65/554995565.db2.gz GNNFARCFDRFMIP-RKQXULEVSA-N -1 1 575.484 6.625 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102651921 554996080 /nfs/dbraw/zinc/99/60/80/554996080.db2.gz HDYTVSCYVDCQLG-JRWYTTBRSA-N -1 1 598.721 7.050 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102651995 554996566 /nfs/dbraw/zinc/99/65/66/554996566.db2.gz DTLSHFFNFQUIQQ-YTOFDDCBSA-N -1 1 628.747 7.278 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102652442 554996599 /nfs/dbraw/zinc/99/65/99/554996599.db2.gz IABWBCMZBFEZJH-ZHJYXLETSA-N -1 1 627.788 7.267 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000102652745 554996892 /nfs/dbraw/zinc/99/68/92/554996892.db2.gz QNMGGBKRSFNCRR-HPASZNQBSA-N -1 1 518.616 5.706 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102653286 554997111 /nfs/dbraw/zinc/99/71/11/554997111.db2.gz MFIOCYLUGPBFDX-YZUJGMDRSA-N -1 1 614.720 6.832 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102653358 554997158 /nfs/dbraw/zinc/99/71/58/554997158.db2.gz JJQBQLNPHNFHHE-WGQAXHKASA-N -1 1 516.550 5.394 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102653072 554997199 /nfs/dbraw/zinc/99/71/99/554997199.db2.gz LNHZPCFIJGPVSW-LOOKCOSASA-N -1 1 554.668 6.733 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102653147 554997223 /nfs/dbraw/zinc/99/72/23/554997223.db2.gz BFAWFCZXXIBMCL-UZGIXAGNSA-N -1 1 598.721 7.070 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1O ZINC000102653697 554997369 /nfs/dbraw/zinc/99/73/69/554997369.db2.gz HIKLZJMTTJPYPL-PEHBIRLUSA-N -1 1 558.612 5.359 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102654292 554997682 /nfs/dbraw/zinc/99/76/82/554997682.db2.gz UQZUJGLXYBHBSH-FZIYRNTBSA-N -1 1 540.641 6.343 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102654615 554997713 /nfs/dbraw/zinc/99/77/13/554997713.db2.gz GKFCYGSISOMEGX-QBTYMPIYSA-N -1 1 569.639 5.384 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000102655228 554998028 /nfs/dbraw/zinc/99/80/28/554998028.db2.gz RSCQKEAXOBTMHN-YMCWBSDSSA-N -1 1 504.514 5.524 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102654827 554998071 /nfs/dbraw/zinc/99/80/71/554998071.db2.gz AUDFNXBJNCCLCH-NSOCNUKWSA-N -1 1 554.624 5.680 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102654827 554998073 /nfs/dbraw/zinc/99/80/73/554998073.db2.gz AUDFNXBJNCCLCH-NSOCNUKWSA-N -1 1 554.624 5.680 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102655858 554998657 /nfs/dbraw/zinc/99/86/57/554998657.db2.gz MVMSKDYEQDGIJJ-LOTNQUKISA-N -1 1 604.684 7.437 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102655723 554998783 /nfs/dbraw/zinc/99/87/83/554998783.db2.gz LOTMYGWIBBGJJT-FZIYRNTBSA-N -1 1 620.724 6.156 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102655723 554998785 /nfs/dbraw/zinc/99/87/85/554998785.db2.gz LOTMYGWIBBGJJT-FZIYRNTBSA-N -1 1 620.724 6.156 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102657573 554999614 /nfs/dbraw/zinc/99/96/14/554999614.db2.gz HVTOXUZYSRLQCF-HALAOQOWSA-N -1 1 577.634 6.058 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102673594 555003208 /nfs/dbraw/zinc/00/32/08/555003208.db2.gz JSPULEZSPRKWOB-WKUSSTJHSA-N -1 1 572.658 6.954 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102673594 555003212 /nfs/dbraw/zinc/00/32/12/555003212.db2.gz JSPULEZSPRKWOB-WKUSSTJHSA-N -1 1 572.658 6.954 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102673713 555003567 /nfs/dbraw/zinc/00/35/67/555003567.db2.gz JSYGJJPIIMUTJU-TVXPFAQOSA-N -1 1 560.672 6.173 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)cc1C ZINC000102695051 555010290 /nfs/dbraw/zinc/01/02/90/555010290.db2.gz BUJXHJAOWWUHNS-ZZIWUOEGSA-N -1 1 502.567 5.996 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102697542 555011842 /nfs/dbraw/zinc/01/18/42/555011842.db2.gz STXHBVRJBCZUJP-SBXHHDGASA-N -1 1 502.592 6.175 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102697542 555011844 /nfs/dbraw/zinc/01/18/44/555011844.db2.gz STXHBVRJBCZUJP-SBXHHDGASA-N -1 1 502.592 6.175 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000102701986 555013208 /nfs/dbraw/zinc/01/32/08/555013208.db2.gz VEAIFWKVYVICDD-ZHHPLPSFSA-N -1 1 504.995 6.201 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2OC)cc1C ZINC000102703824 555013610 /nfs/dbraw/zinc/01/36/10/555013610.db2.gz PEGWPKVDVWBSOC-SBXHHDGASA-N -1 1 500.576 5.557 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102705197 555014368 /nfs/dbraw/zinc/01/43/68/555014368.db2.gz KTHWANXJBSLOAC-IUKMQXEJSA-N -1 1 530.602 5.647 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102705635 555014401 /nfs/dbraw/zinc/01/44/01/555014401.db2.gz LDCDKMYPDIJAHZ-IUKMQXEJSA-N -1 1 514.603 5.811 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102707576 555015565 /nfs/dbraw/zinc/01/55/65/555015565.db2.gz SDJDTTHXULMRCK-ZHHPLPSFSA-N -1 1 504.539 5.338 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102707576 555015567 /nfs/dbraw/zinc/01/55/67/555015567.db2.gz SDJDTTHXULMRCK-ZHHPLPSFSA-N -1 1 504.539 5.338 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102707663 555015614 /nfs/dbraw/zinc/01/56/14/555015614.db2.gz GBTQDECLEMFBBU-IUKMQXEJSA-N -1 1 516.594 6.411 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102707663 555015616 /nfs/dbraw/zinc/01/56/16/555015616.db2.gz GBTQDECLEMFBBU-IUKMQXEJSA-N -1 1 516.594 6.411 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102711538 555016691 /nfs/dbraw/zinc/01/66/91/555016691.db2.gz YMGNVJSESVDBSH-ZHHPLPSFSA-N -1 1 504.995 6.147 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102711538 555016695 /nfs/dbraw/zinc/01/66/95/555016695.db2.gz YMGNVJSESVDBSH-ZHHPLPSFSA-N -1 1 504.995 6.147 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccccc2F)s1 ZINC000102712709 555017321 /nfs/dbraw/zinc/01/73/21/555017321.db2.gz SRUOQGBCAGLKBB-SBXHHDGASA-N -1 1 515.566 5.499 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102713651 555017827 /nfs/dbraw/zinc/01/78/27/555017827.db2.gz KSQAPFSBZSLKNR-NPJIAGGLSA-N -1 1 533.049 6.927 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102713651 555017830 /nfs/dbraw/zinc/01/78/30/555017830.db2.gz KSQAPFSBZSLKNR-NPJIAGGLSA-N -1 1 533.049 6.927 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102713653 555017962 /nfs/dbraw/zinc/01/79/62/555017962.db2.gz KSQAPFSBZSLKNR-IUKMQXEJSA-N -1 1 533.049 6.927 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000102713653 555017964 /nfs/dbraw/zinc/01/79/64/555017964.db2.gz KSQAPFSBZSLKNR-IUKMQXEJSA-N -1 1 533.049 6.927 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102714016 555018038 /nfs/dbraw/zinc/01/80/38/555018038.db2.gz NMGMGQITZAPGPR-MRJHHRETSA-N -1 1 520.607 5.171 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102714871 555018272 /nfs/dbraw/zinc/01/82/72/555018272.db2.gz HRFMLMPHJCJJCS-NPJIAGGLSA-N -1 1 549.048 6.546 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102714871 555018273 /nfs/dbraw/zinc/01/82/73/555018273.db2.gz HRFMLMPHJCJJCS-NPJIAGGLSA-N -1 1 549.048 6.546 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000102716902 555018992 /nfs/dbraw/zinc/01/89/92/555018992.db2.gz YQLLUERVHDSAFV-QKJBWNOYSA-N -1 1 530.602 5.565 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102718163 555019348 /nfs/dbraw/zinc/01/93/48/555019348.db2.gz MSDAEVDOECGXCU-ZHHPLPSFSA-N -1 1 504.564 5.404 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102718163 555019349 /nfs/dbraw/zinc/01/93/49/555019349.db2.gz MSDAEVDOECGXCU-ZHHPLPSFSA-N -1 1 504.564 5.404 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102718950 555019635 /nfs/dbraw/zinc/01/96/35/555019635.db2.gz IUGXMXAOEDRMEL-SBXHHDGASA-N -1 1 546.601 5.265 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102721512 555020228 /nfs/dbraw/zinc/02/02/28/555020228.db2.gz PNJAREUPJAZCSA-SBXHHDGASA-N -1 1 518.591 5.794 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102722340 555020490 /nfs/dbraw/zinc/02/04/90/555020490.db2.gz DFFCKWVSRSPBNC-MOBKVPTQSA-N -1 1 519.966 6.047 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102723587 555021096 /nfs/dbraw/zinc/02/10/96/555021096.db2.gz IMSAIIGGCTVUKQ-CJJGVWJISA-N -1 1 512.631 6.582 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102729128 555023012 /nfs/dbraw/zinc/02/30/12/555023012.db2.gz RTFMBJQPAHNVRN-JBCNATCCSA-N -1 1 523.408 6.149 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102730943 555023740 /nfs/dbraw/zinc/02/37/40/555023740.db2.gz QSMOCYHTNLDBMO-NHFXJNLRSA-N -1 1 509.381 5.841 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102733297 555024344 /nfs/dbraw/zinc/02/43/44/555024344.db2.gz QHVBXNRPSJNWHZ-SBXHHDGASA-N -1 1 500.576 5.502 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102733471 555024398 /nfs/dbraw/zinc/02/43/98/555024398.db2.gz OHCKUAUCDQFAHJ-SBXHHDGASA-N -1 1 544.585 5.035 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102733471 555024401 /nfs/dbraw/zinc/02/44/01/555024401.db2.gz OHCKUAUCDQFAHJ-SBXHHDGASA-N -1 1 544.585 5.035 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735586 555025877 /nfs/dbraw/zinc/02/58/77/555025877.db2.gz CQJMZSADGFEQTO-NYFCFKJUSA-N -1 1 595.076 7.692 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735586 555025879 /nfs/dbraw/zinc/02/58/79/555025879.db2.gz CQJMZSADGFEQTO-NYFCFKJUSA-N -1 1 595.076 7.692 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736932 555026334 /nfs/dbraw/zinc/02/63/34/555026334.db2.gz FGDSXLUFVPIPLJ-YMCWBSDSSA-N -1 1 547.976 5.808 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102770792 555058272 /nfs/dbraw/zinc/05/82/72/555058272.db2.gz POKKWNQXRAOCJH-KNZGKXHUSA-N -1 1 551.451 6.861 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000102770841 555058319 /nfs/dbraw/zinc/05/83/19/555058319.db2.gz NSTLULFUDMMLLY-NIOKHIIOSA-N -1 1 575.484 6.625 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770870 555058526 /nfs/dbraw/zinc/05/85/26/555058526.db2.gz CRLYBMABKQPXFA-SSELITHESA-N -1 1 542.632 6.683 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770876 555058546 /nfs/dbraw/zinc/05/85/46/555058546.db2.gz CRLYBMABKQPXFA-UJWLLDLUSA-N -1 1 542.632 6.683 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102770943 555058965 /nfs/dbraw/zinc/05/89/65/555058965.db2.gz QWAFOVOHNLWIFG-HTUFKCTLSA-N -1 1 528.605 6.509 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)nc2c(C)c1 ZINC000102771185 555059670 /nfs/dbraw/zinc/05/96/70/555059670.db2.gz ZOZYALPVZXONLJ-ZTLVYLBESA-N -1 1 512.587 5.568 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771310 555060013 /nfs/dbraw/zinc/06/00/13/555060013.db2.gz GGOZJWHURATZQL-HALAOQOWSA-N -1 1 610.544 7.087 50 30 KKEAMM C/C=C\Cc1c(C)nc(SCc2c(C(=O)OCC)c3cc([O-])c(Br)cc3n2C)c(C#N)c1C ZINC000102777803 555063837 /nfs/dbraw/zinc/06/38/37/555063837.db2.gz FCXIPUKAFYOFSF-VURMDHGXSA-N -1 1 528.472 6.118 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102798393 555072254 /nfs/dbraw/zinc/07/22/54/555072254.db2.gz PCTSJWPFDBWXDI-MOBKVPTQSA-N -1 1 504.608 5.686 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000102800115 555072346 /nfs/dbraw/zinc/07/23/46/555072346.db2.gz ZBZISSIWUDRNDW-MRJHHRETSA-N -1 1 511.372 5.370 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000102800115 555072348 /nfs/dbraw/zinc/07/23/48/555072348.db2.gz ZBZISSIWUDRNDW-MRJHHRETSA-N -1 1 511.372 5.370 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000102857477 555088877 /nfs/dbraw/zinc/08/88/77/555088877.db2.gz QYFHJWBWMSKCIK-NXLSWJSLSA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000102857477 555088880 /nfs/dbraw/zinc/08/88/80/555088880.db2.gz QYFHJWBWMSKCIK-NXLSWJSLSA-N -1 1 516.575 5.339 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102857663 555088901 /nfs/dbraw/zinc/08/89/01/555088901.db2.gz GBMLKKOYUAUFTL-CJJGVWJISA-N -1 1 544.629 6.037 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102858617 555089333 /nfs/dbraw/zinc/08/93/33/555089333.db2.gz WHOXZLUZWAOROY-UVDRRRQGSA-N -1 1 518.566 5.696 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102859300 555089686 /nfs/dbraw/zinc/08/96/86/555089686.db2.gz DGBVGVYGXQPGKH-COUQNMRISA-N -1 1 515.547 5.456 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102860723 555090990 /nfs/dbraw/zinc/09/09/90/555090990.db2.gz BJQQYRAVGSJASN-MOBKVPTQSA-N -1 1 534.634 5.479 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102861621 555092002 /nfs/dbraw/zinc/09/20/02/555092002.db2.gz UAONMEGJPFSVNO-NPJIAGGLSA-N -1 1 514.603 6.028 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102862950 555092901 /nfs/dbraw/zinc/09/29/01/555092901.db2.gz HDDOXQMQJQKLQG-HFEWCJDKSA-N -1 1 503.511 5.587 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102864456 555094175 /nfs/dbraw/zinc/09/41/75/555094175.db2.gz DUOFRRLJEVBJBO-UVDRRRQGSA-N -1 1 563.473 6.701 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102867175 555096606 /nfs/dbraw/zinc/09/66/06/555096606.db2.gz RIBVZVGGOFRWOL-RXDXAXPSSA-N -1 1 556.640 6.099 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102867167 555096675 /nfs/dbraw/zinc/09/66/75/555096675.db2.gz UELHJSVIOGKXAE-IKZPYDRGSA-N -1 1 556.640 6.043 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102867207 555096763 /nfs/dbraw/zinc/09/67/63/555096763.db2.gz DDUQNSAIEBCUAE-NPJIAGGLSA-N -1 1 514.603 5.892 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102867406 555097012 /nfs/dbraw/zinc/09/70/12/555097012.db2.gz GOBMUBCWDWJZOW-ZDZPXDOOSA-N -1 1 577.058 6.307 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102867948 555097399 /nfs/dbraw/zinc/09/73/99/555097399.db2.gz BMCBXGUSHIPPNX-VZHVMDKCSA-N -1 1 591.085 6.697 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102867948 555097402 /nfs/dbraw/zinc/09/74/02/555097402.db2.gz BMCBXGUSHIPPNX-VZHVMDKCSA-N -1 1 591.085 6.697 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000102868933 555098194 /nfs/dbraw/zinc/09/81/94/555098194.db2.gz NGKWEYATQDACPK-HVESIFNPSA-N -1 1 547.814 5.280 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102869650 555099162 /nfs/dbraw/zinc/09/91/62/555099162.db2.gz WTTCCECBSHTVAU-JDSQIOQSSA-N -1 1 588.657 6.573 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102869650 555099163 /nfs/dbraw/zinc/09/91/63/555099163.db2.gz WTTCCECBSHTVAU-JDSQIOQSSA-N -1 1 588.657 6.573 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCC)c(OCC)c3)sc2c1 ZINC000102869854 555099404 /nfs/dbraw/zinc/09/94/04/555099404.db2.gz KJLZSQLRWLCGBZ-GBIFRDBCSA-N -1 1 600.693 6.442 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102869912 555099779 /nfs/dbraw/zinc/09/97/79/555099779.db2.gz FALOVJUBMUJRHH-FWOIGAHVSA-N -1 1 546.576 5.402 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102869912 555099782 /nfs/dbraw/zinc/09/97/82/555099782.db2.gz FALOVJUBMUJRHH-FWOIGAHVSA-N -1 1 546.576 5.402 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102870103 555100181 /nfs/dbraw/zinc/10/01/81/555100181.db2.gz VXXGKWCJZVJXKV-SVNRFNMRSA-N -1 1 586.666 6.108 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102870175 555100375 /nfs/dbraw/zinc/10/03/75/555100375.db2.gz XVIZRDQQAZZLMS-MDLGLMBTSA-N -1 1 618.711 7.224 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102870204 555100481 /nfs/dbraw/zinc/10/04/81/555100481.db2.gz KWCDCQNRJQBABT-GRBPGWBESA-N -1 1 602.684 6.819 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102870204 555100483 /nfs/dbraw/zinc/10/04/83/555100483.db2.gz KWCDCQNRJQBABT-GRBPGWBESA-N -1 1 602.684 6.819 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102870513 555100752 /nfs/dbraw/zinc/10/07/52/555100752.db2.gz UHVXCIDVHLRYIN-ZHJYXLETSA-N -1 1 627.788 7.349 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102870695 555100944 /nfs/dbraw/zinc/10/09/44/555100944.db2.gz YEOGAGWOQUCRTC-QJGFIUGVSA-N -1 1 568.695 7.123 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102872474 555102882 /nfs/dbraw/zinc/10/28/82/555102882.db2.gz MJQBHICZVIBMRH-IAMBOQNYSA-N -1 1 520.563 5.158 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102872474 555102884 /nfs/dbraw/zinc/10/28/84/555102884.db2.gz MJQBHICZVIBMRH-IAMBOQNYSA-N -1 1 520.563 5.158 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102873785 555104031 /nfs/dbraw/zinc/10/40/31/555104031.db2.gz FTBNTIIKMNGNMJ-SBXHHDGASA-N -1 1 500.595 6.668 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1 ZINC000102873502 555104052 /nfs/dbraw/zinc/10/40/52/555104052.db2.gz IOBKHKVNVHBHKK-MRJHHRETSA-N -1 1 506.580 5.043 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102874236 555104366 /nfs/dbraw/zinc/10/43/66/555104366.db2.gz DSRBHABXIJZPBF-KQAPWQHSSA-N -1 1 514.603 5.947 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102874513 555104514 /nfs/dbraw/zinc/10/45/14/555104514.db2.gz HBDCCRXFAPMWQP-LFVOPCPISA-N -1 1 547.416 5.488 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102875221 555105156 /nfs/dbraw/zinc/10/51/56/555105156.db2.gz XDMTXKHCNGRSMV-NHFXJNLRSA-N -1 1 509.356 5.824 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102875820 555105862 /nfs/dbraw/zinc/10/58/62/555105862.db2.gz OISFPJHZMAWVJW-MOBKVPTQSA-N -1 1 553.409 6.223 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102875817 555105879 /nfs/dbraw/zinc/10/58/79/555105879.db2.gz OISFPJHZMAWVJW-HOGKFDNTSA-N -1 1 553.409 6.223 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102876467 555106110 /nfs/dbraw/zinc/10/61/10/555106110.db2.gz JEBZCXMBBRIJNS-HOGKFDNTSA-N -1 1 524.957 5.732 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102878171 555107612 /nfs/dbraw/zinc/10/76/12/555107612.db2.gz XEMXVXVXJSKQCP-HOGKFDNTSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102878171 555107613 /nfs/dbraw/zinc/10/76/13/555107613.db2.gz XEMXVXVXJSKQCP-HOGKFDNTSA-N -1 1 501.520 5.148 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000102878405 555107755 /nfs/dbraw/zinc/10/77/55/555107755.db2.gz BEQDDVGCALKRQQ-SELCWUDQSA-N -1 1 500.935 5.047 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102878505 555107778 /nfs/dbraw/zinc/10/77/78/555107778.db2.gz HEWXQBGBNPMSMB-ZHHPLPSFSA-N -1 1 508.368 5.483 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102879274 555108511 /nfs/dbraw/zinc/10/85/11/555108511.db2.gz QETZONOYERPLCG-HOGKFDNTSA-N -1 1 569.864 6.737 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102881366 555110192 /nfs/dbraw/zinc/11/01/92/555110192.db2.gz GBYVGOLEMFYEOZ-MOBKVPTQSA-N -1 1 501.520 5.230 50 30 KKEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102883839 555112185 /nfs/dbraw/zinc/11/21/85/555112185.db2.gz NTUXJUUDVICZJN-HAQIDCBSSA-N -1 1 530.577 5.784 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102883839 555112189 /nfs/dbraw/zinc/11/21/89/555112189.db2.gz NTUXJUUDVICZJN-HAQIDCBSSA-N -1 1 530.577 5.784 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102883819 555112254 /nfs/dbraw/zinc/11/22/54/555112254.db2.gz GKKKHLFDZCVXIK-BYHJQNISSA-N -1 1 612.748 7.296 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102884041 555112816 /nfs/dbraw/zinc/11/28/16/555112816.db2.gz AUZDSXGANKXCKC-ZHHPLPSFSA-N -1 1 518.660 6.680 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102884340 555113193 /nfs/dbraw/zinc/11/31/93/555113193.db2.gz CDONGKQZFJKPBD-OGHRCCBNSA-N -1 1 606.125 6.442 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102884424 555113465 /nfs/dbraw/zinc/11/34/65/555113465.db2.gz MZDZAEGFFWFTKN-UUALVTFQSA-N -1 1 556.640 6.216 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102884613 555113876 /nfs/dbraw/zinc/11/38/76/555113876.db2.gz YFWOYGQNZBQIRY-LXIOPLLASA-N -1 1 563.031 5.917 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102884613 555113878 /nfs/dbraw/zinc/11/38/78/555113878.db2.gz YFWOYGQNZBQIRY-LXIOPLLASA-N -1 1 563.031 5.917 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102884720 555114233 /nfs/dbraw/zinc/11/42/33/555114233.db2.gz CBIMUKNYNYMTQB-NPJIAGGLSA-N -1 1 599.621 5.660 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102884697 555114266 /nfs/dbraw/zinc/11/42/66/555114266.db2.gz RVAABEGGFIOPMS-NEMSTITPSA-N -1 1 576.671 5.757 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102884697 555114268 /nfs/dbraw/zinc/11/42/68/555114268.db2.gz RVAABEGGFIOPMS-NEMSTITPSA-N -1 1 576.671 5.757 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102885004 555114767 /nfs/dbraw/zinc/11/47/67/555114767.db2.gz ITTVUIGMSANNNE-WNQPQFFOSA-N -1 1 526.614 5.953 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102885259 555115570 /nfs/dbraw/zinc/11/55/70/555115570.db2.gz BALBVIOTKHBNPK-IUKMQXEJSA-N -1 1 572.614 5.891 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102885688 555115784 /nfs/dbraw/zinc/11/57/84/555115784.db2.gz BVGXZVBTJOCNIF-SBXHHDGASA-N -1 1 578.643 5.205 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OCC)c3)sc2c1 ZINC000102886256 555116691 /nfs/dbraw/zinc/11/66/91/555116691.db2.gz SSSVFQUORNPMHA-VZHVMDKCSA-N -1 1 572.639 5.749 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102886101 555116704 /nfs/dbraw/zinc/11/67/04/555116704.db2.gz CXUOICULPXPQJR-OBOIKQQTSA-N -1 1 554.624 5.649 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102886510 555116980 /nfs/dbraw/zinc/11/69/80/555116980.db2.gz ZQXUWSYQDGMJKD-WGQAXHKASA-N -1 1 561.015 5.686 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102887170 555118401 /nfs/dbraw/zinc/11/84/01/555118401.db2.gz MHINJCUHGYAIJX-QMMFTLRZSA-N -1 1 630.719 6.670 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000102887170 555118404 /nfs/dbraw/zinc/11/84/04/555118404.db2.gz MHINJCUHGYAIJX-QMMFTLRZSA-N -1 1 630.719 6.670 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102887264 555118463 /nfs/dbraw/zinc/11/84/63/555118463.db2.gz CZDWUDHVZCYRSN-ZHHPLPSFSA-N -1 1 518.978 5.656 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102887264 555118466 /nfs/dbraw/zinc/11/84/66/555118466.db2.gz CZDWUDHVZCYRSN-ZHHPLPSFSA-N -1 1 518.978 5.656 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000102887298 555118875 /nfs/dbraw/zinc/11/88/75/555118875.db2.gz YZPKENIGULFGEA-TVXPFAQOSA-N -1 1 620.152 6.832 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102887426 555119159 /nfs/dbraw/zinc/11/91/59/555119159.db2.gz ZHVPRANSIWHHMM-GAPOMRBKSA-N -1 1 588.638 5.336 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(O)c3)sc2c1 ZINC000102887393 555119268 /nfs/dbraw/zinc/11/92/68/555119268.db2.gz OZTDYJQKQYADMJ-JFTLGNCFSA-N -1 1 528.586 5.350 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102887348 555119312 /nfs/dbraw/zinc/11/93/12/555119312.db2.gz AIDHPMBPRMNHNY-IZSGBISHSA-N -1 1 614.720 6.832 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102887348 555119314 /nfs/dbraw/zinc/11/93/14/555119314.db2.gz AIDHPMBPRMNHNY-IZSGBISHSA-N -1 1 614.720 6.832 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102888045 555120849 /nfs/dbraw/zinc/12/08/49/555120849.db2.gz MABOUYRSTBPDQF-NXLSWJSLSA-N -1 1 563.473 6.646 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102888045 555120851 /nfs/dbraw/zinc/12/08/51/555120851.db2.gz MABOUYRSTBPDQF-NXLSWJSLSA-N -1 1 563.473 6.646 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102888243 555121115 /nfs/dbraw/zinc/12/11/15/555121115.db2.gz RJMHYKFXRBVHFH-QMNXYOJKSA-N -1 1 598.721 7.214 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102888853 555122580 /nfs/dbraw/zinc/12/25/80/555122580.db2.gz OTRCYTZUMXLPFG-JRPVAJNPSA-N -1 1 547.032 6.298 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888951 555122849 /nfs/dbraw/zinc/12/28/49/555122849.db2.gz CHQCVWBAMOCWKO-LHKMDIPOSA-N -1 1 584.694 6.824 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102889177 555123069 /nfs/dbraw/zinc/12/30/69/555123069.db2.gz FZEBWGZORDTNHW-IUKMQXEJSA-N -1 1 592.670 5.595 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(C)cc2)s1 ZINC000102889468 555123785 /nfs/dbraw/zinc/12/37/85/555123785.db2.gz MAJBNTLMXCCAFL-NPJIAGGLSA-N -1 1 511.603 5.669 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(C)cc2)s1 ZINC000102889468 555123787 /nfs/dbraw/zinc/12/37/87/555123787.db2.gz MAJBNTLMXCCAFL-NPJIAGGLSA-N -1 1 511.603 5.669 50 30 KKEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102889758 555124255 /nfs/dbraw/zinc/12/42/55/555124255.db2.gz KAFUPGWNMLNMOQ-JRPVAJNPSA-N -1 1 547.032 6.298 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102889758 555124257 /nfs/dbraw/zinc/12/42/57/555124257.db2.gz KAFUPGWNMLNMOQ-JRPVAJNPSA-N -1 1 547.032 6.298 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102890076 555124997 /nfs/dbraw/zinc/12/49/97/555124997.db2.gz UPPQUOIYUXXAIC-XVTRYDTASA-N -1 1 606.697 5.765 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102890076 555125000 /nfs/dbraw/zinc/12/50/00/555125000.db2.gz UPPQUOIYUXXAIC-XVTRYDTASA-N -1 1 606.697 5.765 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102890259 555125335 /nfs/dbraw/zinc/12/53/35/555125335.db2.gz LMFXTJDJEBKINU-HWTUVFLMSA-N -1 1 584.694 6.680 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102890857 555126466 /nfs/dbraw/zinc/12/64/66/555126466.db2.gz DHPUYVJMFVPNBB-RFAFYKRUSA-N -1 1 572.639 5.580 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102891192 555126798 /nfs/dbraw/zinc/12/67/98/555126798.db2.gz HCGBABHEXWJFNQ-FSDXSRJSSA-N -1 1 606.125 6.442 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102891091 555126888 /nfs/dbraw/zinc/12/68/88/555126888.db2.gz AIVIMROTDBANQX-FPRSLYQBSA-N -1 1 554.668 6.768 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102891482 555127068 /nfs/dbraw/zinc/12/70/68/555127068.db2.gz FYKAOPJNFUYTGC-RPUIFAKWSA-N -1 1 546.645 5.701 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102892463 555128733 /nfs/dbraw/zinc/12/87/33/555128733.db2.gz XOSZUOHTEKFQFC-WBMUNJTESA-N -1 1 512.587 5.563 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000102892401 555128766 /nfs/dbraw/zinc/12/87/66/555128766.db2.gz OEQHJPVULFMRLI-KLNYLHOZSA-N -1 1 621.509 6.340 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102893179 555130270 /nfs/dbraw/zinc/13/02/70/555130270.db2.gz LPJCGBSAWPYSKM-QMWVLESOSA-N -1 1 618.711 7.224 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000102894080 555131997 /nfs/dbraw/zinc/13/19/97/555131997.db2.gz GOYOUIDHQDFOHK-YDJIHCHBSA-N -1 1 510.980 5.409 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102894069 555132018 /nfs/dbraw/zinc/13/20/18/555132018.db2.gz GAOWGJPUHSDPMO-CJJGVWJISA-N -1 1 574.611 5.110 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102894069 555132020 /nfs/dbraw/zinc/13/20/20/555132020.db2.gz GAOWGJPUHSDPMO-CJJGVWJISA-N -1 1 574.611 5.110 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894677 555132854 /nfs/dbraw/zinc/13/28/54/555132854.db2.gz LFAKLNLXGLNMGT-CGKJMNDRSA-N -1 1 547.032 6.298 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102894677 555132856 /nfs/dbraw/zinc/13/28/56/555132856.db2.gz LFAKLNLXGLNMGT-CGKJMNDRSA-N -1 1 547.032 6.298 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102894828 555133233 /nfs/dbraw/zinc/13/32/33/555133233.db2.gz RSJILABPAUJYFP-CZNAVJSXSA-N -1 1 574.611 5.110 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102895418 555134291 /nfs/dbraw/zinc/13/42/91/555134291.db2.gz FQQGDAFKVHBLNE-NSOCNUKWSA-N -1 1 620.724 6.156 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102895640 555134987 /nfs/dbraw/zinc/13/49/87/555134987.db2.gz LMQXEFVJGNISHN-LHKMDIPOSA-N -1 1 584.694 6.824 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102895734 555135183 /nfs/dbraw/zinc/13/51/83/555135183.db2.gz DLXDGKNWRPSBQC-CJJGVWJISA-N -1 1 558.612 5.491 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102895734 555135185 /nfs/dbraw/zinc/13/51/85/555135185.db2.gz DLXDGKNWRPSBQC-CJJGVWJISA-N -1 1 558.612 5.491 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000102896281 555135951 /nfs/dbraw/zinc/13/59/51/555135951.db2.gz HECXZJJPZOUAJP-UUALVTFQSA-N -1 1 534.609 5.832 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896913 555137274 /nfs/dbraw/zinc/13/72/74/555137274.db2.gz SDZPHNYHAHRVTA-MIOXIQPJSA-N -1 1 616.692 6.280 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102897062 555137316 /nfs/dbraw/zinc/13/73/16/555137316.db2.gz ZHSFQIIDEAFQJI-IIHDFJPDSA-N -1 1 571.680 5.789 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000102898141 555138176 /nfs/dbraw/zinc/13/81/76/555138176.db2.gz LSBACRVIMTVQHE-CJJGVWJISA-N -1 1 520.582 5.442 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102899533 555139345 /nfs/dbraw/zinc/13/93/45/555139345.db2.gz SLZPCADTYOCITQ-HAQIDCBSSA-N -1 1 547.032 6.298 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102899530 555139405 /nfs/dbraw/zinc/13/94/05/555139405.db2.gz SLZPCADTYOCITQ-CGKJMNDRSA-N -1 1 547.032 6.298 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102899469 555139437 /nfs/dbraw/zinc/13/94/37/555139437.db2.gz SAEVUAAUPQMQLK-YFVVEFNMSA-N -1 1 613.761 6.877 50 30 KKEAMM O=C(NCc1ccc2c(c1)OCO2)c1ccccc1N1C(=O)C(=O)C(=C([O-])c2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000102909318 555142247 /nfs/dbraw/zinc/14/22/47/555142247.db2.gz VZOMCAJYMHOTIZ-AREMUKBSSA-N -1 1 573.026 5.843 50 30 KKEAMM O=C(NCc1ccc2c(c1)OCO2)c1ccccc1N1C(=O)C([O-])=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1 ZINC000102909318 555142250 /nfs/dbraw/zinc/14/22/50/555142250.db2.gz VZOMCAJYMHOTIZ-AREMUKBSSA-N -1 1 573.026 5.843 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102924578 555148610 /nfs/dbraw/zinc/14/86/10/555148610.db2.gz VTZLPRVHUHXMOV-NPJIAGGLSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102924578 555148614 /nfs/dbraw/zinc/14/86/14/555148614.db2.gz VTZLPRVHUHXMOV-NPJIAGGLSA-N -1 1 546.601 5.347 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccs2)cc1 ZINC000102926173 555150646 /nfs/dbraw/zinc/15/06/46/555150646.db2.gz VUTVBDFXVIPBKM-LFVOPCPISA-N -1 1 512.609 5.105 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102926535 555151150 /nfs/dbraw/zinc/15/11/50/555151150.db2.gz MWUXJROOSSNIBB-ZHHPLPSFSA-N -1 1 520.994 5.983 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000102927970 555152808 /nfs/dbraw/zinc/15/28/08/555152808.db2.gz AKCWMBFAULDYHG-LFVOPCPISA-N -1 1 547.416 5.488 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102928608 555154153 /nfs/dbraw/zinc/15/41/53/555154153.db2.gz DKPXVVUSEOIULV-ZHHPLPSFSA-N -1 1 500.576 5.557 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000102928606 555154192 /nfs/dbraw/zinc/15/41/92/555154192.db2.gz DKPXVVUSEOIULV-AYWGPLOBSA-N -1 1 500.576 5.557 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102929546 555155266 /nfs/dbraw/zinc/15/52/66/555155266.db2.gz QCVLSBZHYNOTOQ-NXLSWJSLSA-N -1 1 502.567 6.194 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102930387 555156973 /nfs/dbraw/zinc/15/69/73/555156973.db2.gz WHFKJOHWZAHBIH-MOBKVPTQSA-N -1 1 520.538 5.088 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102930383 555157073 /nfs/dbraw/zinc/15/70/73/555157073.db2.gz WHFKJOHWZAHBIH-HOGKFDNTSA-N -1 1 520.538 5.088 50 30 KKEAMM O=C1Nc2c(cc(Cl)cc2Cl)C1=NNc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000102983662 555189381 /nfs/dbraw/zinc/18/93/81/555189381.db2.gz YMGWPOFQHHPVKY-UHFFFAOYSA-N -1 1 540.772 5.124 50 30 KKEAMM [O-]C(c1ccc2c(c1)C=Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N2)(C(F)(F)F)C(F)(F)F ZINC000103542917 555439342 /nfs/dbraw/zinc/43/93/42/555439342.db2.gz OLPSZVBYLVEAGY-UHFFFAOYSA-N -1 1 525.289 6.538 50 30 KKEAMM COc1ccc(OC)c(NC=C2C(=O)C(=O)C(C(C)C)c3cc(C)c(-c4c(C)cc5c(c4O)C(=CNc4cc(OC)ccc4OC)C(=O)C(=O)C5C(C)C)c([O-])c32)c1 ZINC000150346888 571460691 /nfs/dbraw/zinc/46/06/91/571460691.db2.gz JKUFNLRZNPQIOW-NAZWXXJZSA-N -1 1 788.894 9.338 50 30 biogenic KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000150413147 571484567 /nfs/dbraw/zinc/48/45/67/571484567.db2.gz CGNINLSWZYXAQP-AREMUKBSSA-N -1 1 636.557 8.521 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150418423 571486469 /nfs/dbraw/zinc/48/64/69/571486469.db2.gz QXWNMBQFAXVJTM-UUALVTFQSA-N -1 1 649.722 6.164 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150418209 571486528 /nfs/dbraw/zinc/48/65/28/571486528.db2.gz IECSAWRQOZEICZ-XKNZNLGKSA-N -1 1 664.205 7.231 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000150422192 571488023 /nfs/dbraw/zinc/48/80/23/571488023.db2.gz PCXGNBGMNYVOGS-FFMCZVIESA-N -1 1 671.841 7.604 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000150422313 571488198 /nfs/dbraw/zinc/48/81/98/571488198.db2.gz UKDMSRKFXSCEFL-VEZPTTSMSA-N -1 1 673.813 7.052 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000150422209 571488268 /nfs/dbraw/zinc/48/82/68/571488268.db2.gz ZFEYBRVWBRBPHQ-VEZPTTSMSA-N -1 1 684.195 7.460 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000150422316 571488321 /nfs/dbraw/zinc/48/83/21/571488321.db2.gz UKDMSRKFXSCEFL-QMMFTLRZSA-N -1 1 673.813 7.052 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000150424444 571489134 /nfs/dbraw/zinc/48/91/34/571489134.db2.gz XHHIFHWTMOCGJJ-JNYBUSFRSA-N -1 1 706.286 8.257 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000150426351 571490570 /nfs/dbraw/zinc/49/05/70/571490570.db2.gz YOQFDFNZDWOERT-OGHRCCBNSA-N -1 1 634.135 6.220 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000150426354 571490631 /nfs/dbraw/zinc/49/06/31/571490631.db2.gz YOQFDFNZDWOERT-FSDXSRJSSA-N -1 1 634.135 6.220 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000150433280 571494540 /nfs/dbraw/zinc/49/45/40/571494540.db2.gz LAODITYOIOZXIK-JOCHJYFZSA-N -1 1 616.460 5.974 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000150435427 571495413 /nfs/dbraw/zinc/49/54/13/571495413.db2.gz IVTKOYCZXOACFX-VEZPTTSMSA-N -1 1 718.640 8.114 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000150435576 571495534 /nfs/dbraw/zinc/49/55/34/571495534.db2.gz ZZILABCOXMIXAC-GXKLCEICSA-N -1 1 760.721 9.065 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000150435669 571495703 /nfs/dbraw/zinc/49/57/03/571495703.db2.gz GSOBFAFMGBUVGA-QXCFGMLZSA-N -1 1 636.701 7.363 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000150435669 571495704 /nfs/dbraw/zinc/49/57/04/571495704.db2.gz GSOBFAFMGBUVGA-QXCFGMLZSA-N -1 1 636.701 7.363 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000150439724 571497500 /nfs/dbraw/zinc/49/75/00/571497500.db2.gz UCYRZWYTLNYIBE-WSOTVMCUSA-N -1 1 691.831 7.758 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000150439922 571497634 /nfs/dbraw/zinc/49/76/34/571497634.db2.gz KUHBNGFSFAQCBP-KFLIVHAJSA-N -1 1 728.248 7.859 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000150439928 571497643 /nfs/dbraw/zinc/49/76/43/571497643.db2.gz KUHBNGFSFAQCBP-SZYGQJGOSA-N -1 1 728.248 7.859 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150445071 571500130 /nfs/dbraw/zinc/50/01/30/571500130.db2.gz YYWQOSSROGXSSI-CDMMYUFDSA-N -1 1 639.129 7.487 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150445078 571500160 /nfs/dbraw/zinc/50/01/60/571500160.db2.gz YYWQOSSROGXSSI-ORMNNRERSA-N -1 1 639.129 7.487 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150445192 571500196 /nfs/dbraw/zinc/50/01/96/571500196.db2.gz SFWZOGMPTPFLIR-KFLIVHAJSA-N -1 1 660.748 7.934 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150445584 571500711 /nfs/dbraw/zinc/50/07/11/571500711.db2.gz WLDZAZUWZKYCOL-QZDFLZESSA-N -1 1 647.778 7.359 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000150447243 571501344 /nfs/dbraw/zinc/50/13/44/571501344.db2.gz GQVBCVKBRZEWRI-DEOSSOPVSA-N -1 1 642.067 5.338 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000150457064 571504788 /nfs/dbraw/zinc/50/47/88/571504788.db2.gz FZIFKBJLIYHAAG-ZRUWLVFBSA-N -1 1 642.774 7.612 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000150457053 571504818 /nfs/dbraw/zinc/50/48/18/571504818.db2.gz FZIFKBJLIYHAAG-MDLGLMBTSA-N -1 1 642.774 7.612 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457416 571504858 /nfs/dbraw/zinc/50/48/58/571504858.db2.gz GOTFXUMMRMZYHF-VXJPNWOUSA-N -1 1 641.771 6.744 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457531 571504989 /nfs/dbraw/zinc/50/49/89/571504989.db2.gz ZXSIOKUULPFQPW-DDLSXHCZSA-N -1 1 675.804 7.497 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457714 571505064 /nfs/dbraw/zinc/50/50/64/571505064.db2.gz MKHIVYJSBDUFCO-UZGIXAGNSA-N -1 1 692.259 8.011 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150458728 571505555 /nfs/dbraw/zinc/50/55/55/571505555.db2.gz CSMVLPGZCSFUOR-ICQXDZJJSA-N -1 1 655.798 7.052 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150460662 571506075 /nfs/dbraw/zinc/50/60/75/571506075.db2.gz IEOXKJNPQFGQCR-QMMFTLRZSA-N -1 1 641.101 6.935 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000150460632 571506217 /nfs/dbraw/zinc/50/62/17/571506217.db2.gz JKLBPGVAZJASOH-YELMDPSYSA-N -1 1 641.815 7.513 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150462806 571506779 /nfs/dbraw/zinc/50/67/79/571506779.db2.gz MVXUFUWGMRNRTA-FFMCZVIESA-N -1 1 671.841 7.748 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000150463210 571507018 /nfs/dbraw/zinc/50/70/18/571507018.db2.gz RFPIPEUKSBZXFL-YELMDPSYSA-N -1 1 641.815 7.658 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463702 571507555 /nfs/dbraw/zinc/50/75/55/571507555.db2.gz HZMUETVAUGBJME-VMFRQMAUSA-N -1 1 648.206 7.612 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150464420 571507670 /nfs/dbraw/zinc/50/76/70/571507670.db2.gz UIGXRKOXTLMZAE-GRBPGWBESA-N -1 1 712.677 8.274 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150469564 571508799 /nfs/dbraw/zinc/50/87/99/571508799.db2.gz NLGCCBHKMREHBL-CJJGVWJISA-N -1 1 634.135 6.446 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150469632 571508818 /nfs/dbraw/zinc/50/88/18/571508818.db2.gz YZGVDIIXQZDQFR-QMDVFYPZSA-N -1 1 676.216 7.397 50 30 KKEAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc(F)c(F)cc1Cl)c1cc(F)c(F)cc1Cl ZINC000150472548 571510017 /nfs/dbraw/zinc/51/00/17/571510017.db2.gz DIPYBOOTUBHBNW-UHFFFAOYSA-N -1 1 680.385 7.874 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000150472714 571510215 /nfs/dbraw/zinc/51/02/15/571510215.db2.gz JVGWSARPEKHLOS-WGQAXHKASA-N -1 1 628.534 7.226 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000150479552 571511738 /nfs/dbraw/zinc/51/17/38/571511738.db2.gz GIMMAIRSRUTFIJ-VEZPTTSMSA-N -1 1 684.195 7.460 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150481335 571512514 /nfs/dbraw/zinc/51/25/14/571512514.db2.gz ZUPKBPIDNWZANI-TXTDGAROSA-N -1 1 664.205 7.450 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150481849 571512762 /nfs/dbraw/zinc/51/27/62/571512762.db2.gz RDXQCQHTUDZAKI-UUALVTFQSA-N -1 1 633.723 6.546 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150481849 571512765 /nfs/dbraw/zinc/51/27/65/571512765.db2.gz RDXQCQHTUDZAKI-UUALVTFQSA-N -1 1 633.723 6.546 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150483089 571513857 /nfs/dbraw/zinc/51/38/57/571513857.db2.gz GCMDYJPZUKJBDF-QMMFTLRZSA-N -1 1 742.703 8.502 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150488571 571516864 /nfs/dbraw/zinc/51/68/64/571516864.db2.gz HYLRRDGDSNMCPX-CZNAVJSXSA-N -1 1 636.151 6.670 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000226917598 572145117 /nfs/dbraw/zinc/14/51/17/572145117.db2.gz CEDHVXMBSQRJTQ-FRXPANAUSA-N -1 1 512.650 6.785 50 30 KKEAMM O=C(Nc1cccc(N=Cc2cc(Cc3ccccc3)cc(Br)c2[O-])c1)c1ccccc1Cl ZINC000252427620 572260390 /nfs/dbraw/zinc/26/03/90/572260390.db2.gz ABRDQBARZHHBCI-UHFFFAOYSA-N -1 1 519.826 7.402 50 30 KKEAMM Cc1cc(Br)c(Nc2nc(N=NCc3cc(I)cc(I)c3[O-])nc(N3CCOCC3)n2)cc1Cl ZINC000252588374 572266369 /nfs/dbraw/zinc/26/63/69/572266369.db2.gz ABMGHUREUSIAGS-UHFFFAOYSA-N -1 1 770.595 5.537 50 30 KKEAMM CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)c(Br)c(Br)c1[O-] ZINC000252628138 572270928 /nfs/dbraw/zinc/27/09/28/572270928.db2.gz SJANIYDDBNTBRM-XVYQGLCOSA-N -1 1 556.276 5.566 50 30 KKEAMM COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c(Br)c(Br)c1[O-] ZINC000252628856 572271028 /nfs/dbraw/zinc/27/10/28/572271028.db2.gz SZMDEBCBDFUOEH-JINVPOKMSA-N -1 1 560.267 6.734 50 30 KKEAMM [O-]c1c(Br)cc(Cl)cc1CN=Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1 ZINC000252631473 572271446 /nfs/dbraw/zinc/27/14/46/572271446.db2.gz VLEFMRVFNFRMBW-UHFFFAOYSA-N -1 1 572.773 5.038 50 30 KKEAMM C=C(C)COc1ccc([C@H]2c3c(=O)[n-]n(C(C)C)c3NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC000824567058 1071282253 /nfs/dbraw/zinc/28/22/53/1071282253.db2.gz IQFPKLGWUCJRJX-RPKDZRGRSA-N -1 1 620.102 6.230 50 30 KKEAMM COc1ccc([N-]S(=O)(=O)c2cc(N=Cc3ccc(OCc4ccccc4)cc3)ccc2N2CCOCC2)cc1 ZINC000254343752 1072847941 /nfs/dbraw/zinc/84/79/41/1072847941.db2.gz XRSPNSAIOZXSLG-UHFFFAOYSA-N -1 1 557.672 5.662 50 30 KKEAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NCc1ccc(OC(F)F)cc1OC(F)F ZINC000254589894 1072865296 /nfs/dbraw/zinc/86/52/96/1072865296.db2.gz LWGOCNIJVCTBDI-UHFFFAOYSA-N -1 1 528.440 5.044 50 30 KKEAMM O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1CN=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000254699839 1072870533 /nfs/dbraw/zinc/87/05/33/1072870533.db2.gz MZQAAWBJZRVRKC-UHFFFAOYSA-N -1 1 606.620 5.801 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000000703133 551530795 /nfs/dbraw/zinc/53/07/95/551530795.db2.gz CIPNXFRBMRYFJP-AREMUKBSSA-N -1 1 570.623 6.468 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(C)c(Br)c3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000000720402 551537237 /nfs/dbraw/zinc/53/72/37/551537237.db2.gz UAMWCNDXKMLXJX-XMMPIXPASA-N -1 1 538.394 5.566 50 30 KKEAMM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001097619 551607943 /nfs/dbraw/zinc/60/79/43/551607943.db2.gz HRLPTMVMFGNOFG-SONOPUAISA-N -1 1 545.979 6.014 50 30 KKEAMM CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000001409090 551663696 /nfs/dbraw/zinc/66/36/96/551663696.db2.gz XCWQBYPGBWDIQW-NSYIEMIKSA-N -1 1 598.696 6.647 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001446814 551674284 /nfs/dbraw/zinc/67/42/84/551674284.db2.gz OAKSJWYHEBMJLY-NRFANRHFSA-N -1 1 524.526 5.146 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001449924 551674904 /nfs/dbraw/zinc/67/49/04/551674904.db2.gz LQXOGNYBOBNZOQ-SANMLTNESA-N -1 1 574.655 6.121 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001450340 551675310 /nfs/dbraw/zinc/67/53/10/551675310.db2.gz NGTLVAREBNSXTK-SANMLTNESA-N -1 1 574.655 6.066 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000001450367 551675597 /nfs/dbraw/zinc/67/55/97/551675597.db2.gz ZTBVVHYOSLMZEG-RUZDIDTESA-N -1 1 530.602 5.804 50 30 KKEAMM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccccc3Cl)C2)cc1 ZINC000001456615 551676740 /nfs/dbraw/zinc/67/67/40/551676740.db2.gz CSVQAFGOAYSLOG-HZAQMHFWSA-N -1 1 531.008 6.114 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000001458638 551677356 /nfs/dbraw/zinc/67/73/56/551677356.db2.gz JXDWEGODUOLYIB-GOSISDBHSA-N -1 1 527.396 5.174 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000001464738 551679995 /nfs/dbraw/zinc/67/99/95/551679995.db2.gz PDHCAPGFNALBJQ-SFHVURJKSA-N -1 1 517.390 5.718 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000001474132 551680655 /nfs/dbraw/zinc/68/06/55/551680655.db2.gz MRRGQTIXIJSYGY-QFIPXVFZSA-N -1 1 530.558 5.796 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)o1 ZINC000001479959 551681277 /nfs/dbraw/zinc/68/12/77/551681277.db2.gz DEFINGCPYAFRPV-NRFANRHFSA-N -1 1 523.408 6.360 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001480153 551681480 /nfs/dbraw/zinc/68/14/80/551681480.db2.gz LBIORWHJBGRFHL-HSZRJFAPSA-N -1 1 536.993 5.758 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001480648 551681866 /nfs/dbraw/zinc/68/18/66/551681866.db2.gz KJMVJJARQARTPL-RUZDIDTESA-N -1 1 530.602 5.722 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001480657 551681951 /nfs/dbraw/zinc/68/19/51/551681951.db2.gz PRCGLGHBRZNZLX-VWLOTQADSA-N -1 1 530.602 5.722 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000001480904 551682163 /nfs/dbraw/zinc/68/21/63/551682163.db2.gz RUPDTPBNONGHHK-NRFANRHFSA-N -1 1 539.407 6.142 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000001480905 551682233 /nfs/dbraw/zinc/68/22/33/551682233.db2.gz RUPDTPBNONGHHK-OAQYLSRUSA-N -1 1 539.407 6.142 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001480840 551682244 /nfs/dbraw/zinc/68/22/44/551682244.db2.gz QJKCYBDBLHNVRH-DEOSSOPVSA-N -1 1 548.592 5.861 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000001480840 551682246 /nfs/dbraw/zinc/68/22/46/551682246.db2.gz QJKCYBDBLHNVRH-DEOSSOPVSA-N -1 1 548.592 5.861 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000001481483 551682643 /nfs/dbraw/zinc/68/26/43/551682643.db2.gz VLOFNAVWLWNJML-NRFANRHFSA-N -1 1 524.957 5.889 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001482275 551682659 /nfs/dbraw/zinc/68/26/59/551682659.db2.gz GHZMFQUZEWEPBD-VWLOTQADSA-N -1 1 530.602 5.804 50 30 KKEAMM CCCCOP(=O)(OCCCC)[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2)C=C(Cl)C(=O)c2ccccc21 ZINC000001875744 551722267 /nfs/dbraw/zinc/72/22/67/551722267.db2.gz 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/nfs/dbraw/zinc/48/55/09/552485509.db2.gz DXQRHEUNFNHHNT-HXUWFJFHSA-N -1 1 556.913 6.679 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2cccc(Cl)c2)nc1C ZINC000005355123 552498317 /nfs/dbraw/zinc/49/83/17/552498317.db2.gz HBJUQQYSRAUAOQ-OAQYLSRUSA-N -1 1 541.025 5.772 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000005355068 552498322 /nfs/dbraw/zinc/49/83/22/552498322.db2.gz PVVZHKIPSOIXEQ-JOCHJYFZSA-N -1 1 538.597 5.647 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000005355245 552498612 /nfs/dbraw/zinc/49/86/12/552498612.db2.gz ZODDBSSJTXWHFG-NRFANRHFSA-N -1 1 541.025 5.772 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000005355371 552498693 /nfs/dbraw/zinc/49/86/93/552498693.db2.gz FRQXSEBTQZLAED-HSZRJFAPSA-N -1 1 550.633 5.517 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1C 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CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000005917880 552511613 /nfs/dbraw/zinc/51/16/13/552511613.db2.gz RIGRLGROSULFMB-HXUWFJFHSA-N -1 1 512.462 6.570 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(O)c(OCC)c2)c(C)c1 ZINC000005919004 552512016 /nfs/dbraw/zinc/51/20/16/552512016.db2.gz CTMHWFFDWNKRTQ-HSZRJFAPSA-N -1 1 566.632 5.223 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000005919757 552512246 /nfs/dbraw/zinc/51/22/46/552512246.db2.gz HFLIPYLIUGBBTK-JOCHJYFZSA-N -1 1 536.581 5.423 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000006016180 552519565 /nfs/dbraw/zinc/51/95/65/552519565.db2.gz JVUNLHHAMWYDSD-QHCPKHFHSA-N -1 1 579.612 5.383 50 30 KKEAMM CCOc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006143595 552545229 /nfs/dbraw/zinc/54/52/29/552545229.db2.gz COBZFNCIXXTLHW-JOCHJYFZSA-N -1 1 522.070 6.315 50 30 KKEAMM O=C([O-])c1ccc(-c2ccc(C=NN=c3nc(Nc4cccc5ccccc54)[nH]c(N4CCOCC4)n3)o2)cc1 ZINC000006144729 552547243 /nfs/dbraw/zinc/54/72/43/552547243.db2.gz SRZIORJISFEUNM-UXHLAJHPSA-N -1 1 535.564 5.009 50 30 KKEAMM CN(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000008383431 552986587 /nfs/dbraw/zinc/98/65/87/552986587.db2.gz DFLWDGWAFPUJKO-RUZDIDTESA-N -1 1 603.125 7.079 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000008383476 552986718 /nfs/dbraw/zinc/98/67/18/552986718.db2.gz XFDYLVMHYNYJAK-MUUNZHRXSA-N -1 1 629.735 8.068 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1ccc(Cl)cc1 ZINC000008383450 552986761 /nfs/dbraw/zinc/98/67/61/552986761.db2.gz UJGNUEZDJMMGCF-QHCPKHFHSA-N -1 1 578.046 7.152 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(Br)cc3)s2)cc1 ZINC000008383954 552987990 /nfs/dbraw/zinc/98/79/90/552987990.db2.gz REWCLZOZWZKHBC-XMMPIXPASA-N -1 1 618.534 7.430 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@H]2c1ccc(Cl)cc1Cl ZINC000008426393 553018441 /nfs/dbraw/zinc/01/84/41/553018441.db2.gz ANPRVURRGGSACO-FQEVSTJZSA-N -1 1 512.462 6.570 50 30 KKEAMM [O-]c1c(I)cc(I)cc1/C=N/c1ccc(Cc2ccc(/N=C/c3cc(I)cc(I)c3O)cc2)cc1 ZINC000008426983 553019127 /nfs/dbraw/zinc/01/91/27/553019127.db2.gz BBUFBQQGIQABGP-KBVBXEEASA-N -1 1 910.069 8.608 50 30 KKEAMM COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccc(F)c2)cc(OC)c1OC ZINC000008432429 553026236 /nfs/dbraw/zinc/02/62/36/553026236.db2.gz ATWFLZVWWLZNAF-FZYZMVIOSA-N -1 1 574.605 5.617 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008433248 553028182 /nfs/dbraw/zinc/02/81/82/553028182.db2.gz CPGNKBXILRHJNY-HSZRJFAPSA-N -1 1 548.661 6.026 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC=C)cc3C)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000008433350 553028884 /nfs/dbraw/zinc/02/88/84/553028884.db2.gz HGAYHCAGYQRFGE-DEOSSOPVSA-N -1 1 560.628 5.459 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)cc3C)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000008433350 553028885 /nfs/dbraw/zinc/02/88/85/553028885.db2.gz HGAYHCAGYQRFGE-DEOSSOPVSA-N -1 1 560.628 5.459 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008441059 553039222 /nfs/dbraw/zinc/03/92/22/553039222.db2.gz IPYRJRNPYBSGED-RUZDIDTESA-N -1 1 531.077 7.593 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441063 553039608 /nfs/dbraw/zinc/03/96/08/553039608.db2.gz LIFNMQVLRQUYRR-QFIPXVFZSA-N -1 1 553.865 7.058 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccc(Br)c1 ZINC000008441209 553039750 /nfs/dbraw/zinc/03/97/50/553039750.db2.gz MBNCAZUTZUXXGG-QHCPKHFHSA-N -1 1 604.507 7.122 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc(Br)c1O ZINC000008441181 553039763 /nfs/dbraw/zinc/03/97/63/553039763.db2.gz LYRPCYMJDPFTPS-HXUWFJFHSA-N -1 1 583.416 5.660 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000008441167 553039827 /nfs/dbraw/zinc/03/98/27/553039827.db2.gz LWLPAUIRAUZKMA-HSZRJFAPSA-N -1 1 514.559 5.748 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000008441240 553040121 /nfs/dbraw/zinc/04/01/21/553040121.db2.gz GUMPOEGQJWQZCT-VWLOTQADSA-N -1 1 553.665 6.922 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccc(O)cc1 ZINC000008441778 553042382 /nfs/dbraw/zinc/04/23/82/553042382.db2.gz ZDIIYOJEXWCIFY-HHHXNRCGSA-N -1 1 591.670 7.218 50 30 KKEAMM C=CCc1c(C)nc(SCc2c(C(=O)OCC)c3cc([O-])c(Br)cc3n2C)c(C#N)c1C ZINC000008442765 553044366 /nfs/dbraw/zinc/04/43/66/553044366.db2.gz CQJMHLRTWWYFDN-UHFFFAOYSA-N -1 1 514.445 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/nfs/dbraw/zinc/17/82/11/553178211.db2.gz JNDGNYPSUAOIFY-OAQYLSRUSA-N -1 1 506.580 5.118 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000008895102 553178212 /nfs/dbraw/zinc/17/82/12/553178212.db2.gz JNDGNYPSUAOIFY-OAQYLSRUSA-N -1 1 506.580 5.118 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000008896844 553179153 /nfs/dbraw/zinc/17/91/53/553179153.db2.gz NVIVMTPKUDCKQU-VWLOTQADSA-N -1 1 516.594 6.568 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000008896844 553179155 /nfs/dbraw/zinc/17/91/55/553179155.db2.gz NVIVMTPKUDCKQU-VWLOTQADSA-N -1 1 516.594 6.568 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008898764 553180414 /nfs/dbraw/zinc/18/04/14/553180414.db2.gz ZTILVJQIJIKHJB-QFIPXVFZSA-N -1 1 518.547 5.166 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000008915059 553186038 /nfs/dbraw/zinc/18/60/38/553186038.db2.gz FSOSTARUBPDHAL-HSZRJFAPSA-N -1 1 502.661 7.001 50 30 KKEAMM CN(C)c1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000008951401 553193520 /nfs/dbraw/zinc/19/35/20/553193520.db2.gz KLBVCVMYMUURMQ-SZMVHAFZSA-N -1 1 512.488 5.755 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000008973651 553195145 /nfs/dbraw/zinc/19/51/45/553195145.db2.gz AAMZJVAGQQDSGI-DEOSSOPVSA-N -1 1 502.567 6.316 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000008973790 553195504 /nfs/dbraw/zinc/19/55/04/553195504.db2.gz ONCLJUSJTICOIZ-DEOSSOPVSA-N -1 1 518.566 6.016 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000008980575 553196031 /nfs/dbraw/zinc/19/60/31/553196031.db2.gz CPDHYVVDKJGWPZ-XMMPIXPASA-N -1 1 518.566 5.852 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009007608 553198096 /nfs/dbraw/zinc/19/80/96/553198096.db2.gz VOXLSTWCAFWPMI-HSZRJFAPSA-N -1 1 520.994 6.140 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000009007675 553198325 /nfs/dbraw/zinc/19/83/25/553198325.db2.gz KFIIWIHHXHTYFE-QFIPXVFZSA-N -1 1 504.564 5.615 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000009007675 553198328 /nfs/dbraw/zinc/19/83/28/553198328.db2.gz KFIIWIHHXHTYFE-QFIPXVFZSA-N -1 1 504.564 5.615 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000009008014 553198536 /nfs/dbraw/zinc/19/85/36/553198536.db2.gz PJCFIYHXZYCJCG-QHCPKHFHSA-N -1 1 516.575 5.413 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000009041397 553202301 /nfs/dbraw/zinc/20/23/01/553202301.db2.gz RBXDWDHNBWUNEH-HSZRJFAPSA-N -1 1 502.548 5.105 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009046048 553203572 /nfs/dbraw/zinc/20/35/72/553203572.db2.gz YMZZXLVYBKPAKQ-JOCHJYFZSA-N -1 1 508.958 6.270 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009067291 553206392 /nfs/dbraw/zinc/20/63/92/553206392.db2.gz UIKMQHMIKDCUPA-FQEVSTJZSA-N -1 1 525.026 5.972 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009067291 553206394 /nfs/dbraw/zinc/20/63/94/553206394.db2.gz UIKMQHMIKDCUPA-FQEVSTJZSA-N -1 1 525.026 5.972 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009068348 553206674 /nfs/dbraw/zinc/20/66/74/553206674.db2.gz GHSHMRXUEMOWLA-VWLOTQADSA-N -1 1 514.603 6.220 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000009069589 553206872 /nfs/dbraw/zinc/20/68/72/553206872.db2.gz MPXFXPNBAOBRDB-JOCHJYFZSA-N -1 1 506.605 5.938 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000009069589 553206874 /nfs/dbraw/zinc/20/68/74/553206874.db2.gz MPXFXPNBAOBRDB-JOCHJYFZSA-N -1 1 506.605 5.938 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009073705 553207314 /nfs/dbraw/zinc/20/73/14/553207314.db2.gz GQHJIPYBIVURRG-JOCHJYFZSA-N -1 1 504.589 5.714 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009122753 553212168 /nfs/dbraw/zinc/21/21/68/553212168.db2.gz YNSNWNCWBYZRNA-JOCHJYFZSA-N -1 1 508.958 6.270 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000009124626 553213068 /nfs/dbraw/zinc/21/30/68/553213068.db2.gz IYVQHWRGNQWVKH-OSPHWJPCSA-N -1 1 504.608 5.674 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000009177807 553216316 /nfs/dbraw/zinc/21/63/16/553216316.db2.gz INRCZOCNDPHKGP-NRFANRHFSA-N -1 1 505.393 6.150 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000009178025 553216606 /nfs/dbraw/zinc/21/66/06/553216606.db2.gz CWARXXXRFHGMBP-QFIPXVFZSA-N -1 1 509.414 7.003 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000009178025 553216607 /nfs/dbraw/zinc/21/66/07/553216607.db2.gz CWARXXXRFHGMBP-QFIPXVFZSA-N -1 1 509.414 7.003 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009185004 553217010 /nfs/dbraw/zinc/21/70/10/553217010.db2.gz UCBQZXLOQCZLJD-JOCHJYFZSA-N -1 1 506.605 5.938 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000009186512 553217722 /nfs/dbraw/zinc/21/77/22/553217722.db2.gz JQZXNDXCYSIMNS-DEOSSOPVSA-N -1 1 502.567 6.234 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009234110 553224796 /nfs/dbraw/zinc/22/47/96/553224796.db2.gz JTXMYGZLJVJTGN-OAQYLSRUSA-N -1 1 508.577 5.167 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000009243381 553226729 /nfs/dbraw/zinc/22/67/29/553226729.db2.gz DNNCPEWEASQIHN-DEOSSOPVSA-N -1 1 510.974 5.853 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000009243379 553226795 /nfs/dbraw/zinc/22/67/95/553226795.db2.gz DNNCPEWEASQIHN-XMMPIXPASA-N -1 1 510.974 5.853 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000009270934 553230442 /nfs/dbraw/zinc/23/04/42/553230442.db2.gz NERHQMWLRVKWAK-QFIPXVFZSA-N -1 1 520.607 5.291 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000009271311 553230630 /nfs/dbraw/zinc/23/06/30/553230630.db2.gz DDGHXCFBELOQJP-VWLOTQADSA-N -1 1 514.603 6.185 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000009271310 553230783 /nfs/dbraw/zinc/23/07/83/553230783.db2.gz DDGHXCFBELOQJP-RUZDIDTESA-N -1 1 514.603 6.185 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000009271475 553231057 /nfs/dbraw/zinc/23/10/57/553231057.db2.gz PIUGQNPRTSIZPS-IBGZPJMESA-N -1 1 511.422 6.212 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000009272385 553231750 /nfs/dbraw/zinc/23/17/50/553231750.db2.gz ZGQZRMSPKSEZQJ-QHCPKHFHSA-N -1 1 523.427 6.641 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)cc1 ZINC000009274335 553232442 /nfs/dbraw/zinc/23/24/42/553232442.db2.gz YPBSFVLXOAKXBR-XMMPIXPASA-N -1 1 502.567 6.234 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000009292225 553234814 /nfs/dbraw/zinc/23/48/14/553234814.db2.gz IXMSPMNVOYHCLU-MYYSRTQBSA-N -1 1 516.619 5.884 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009302000 553236173 /nfs/dbraw/zinc/23/61/73/553236173.db2.gz APMGVAISEQQVLA-DEOSSOPVSA-N -1 1 516.575 5.495 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009302130 553236446 /nfs/dbraw/zinc/23/64/46/553236446.db2.gz REFBCNZLLMWWFR-QHCPKHFHSA-N -1 1 504.514 5.922 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000009350589 553245322 /nfs/dbraw/zinc/24/53/22/553245322.db2.gz GBMCEOGDLLQHRF-IVCQMTBJSA-N -1 1 512.587 5.720 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccnc2)o1 ZINC000009350546 553245348 /nfs/dbraw/zinc/24/53/48/553245348.db2.gz QERJUCWSYMVUBK-LJQANCHMSA-N -1 1 508.556 5.049 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009357535 553246921 /nfs/dbraw/zinc/24/69/21/553246921.db2.gz DBTLCABPVWVVCQ-SHACYNPGSA-N -1 1 516.550 5.550 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000009357946 553247290 /nfs/dbraw/zinc/24/72/90/553247290.db2.gz IWUWXJDJEHBDJR-JCQPUDPBSA-N -1 1 504.514 5.681 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000009358860 553247717 /nfs/dbraw/zinc/24/77/17/553247717.db2.gz MKOUKGYIZSGCJS-MHZLTWQESA-N -1 1 510.546 5.744 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000009358860 553247718 /nfs/dbraw/zinc/24/77/18/553247718.db2.gz MKOUKGYIZSGCJS-MHZLTWQESA-N -1 1 510.546 5.744 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(O)cc3)s2)cc1 ZINC000009360029 553248223 /nfs/dbraw/zinc/24/82/23/553248223.db2.gz UPTGRPJUWYYGSR-HXUWFJFHSA-N -1 1 505.577 5.220 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000009373774 553250464 /nfs/dbraw/zinc/25/04/64/553250464.db2.gz KWLIMVNNCLKXJE-VWLOTQADSA-N -1 1 514.603 6.049 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccs3)ccc2O1 ZINC000009403675 553255421 /nfs/dbraw/zinc/25/54/21/553255421.db2.gz LIGUEBHFSASPQI-XUSGNXJCSA-N -1 1 509.008 6.118 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccnc2)o1 ZINC000009411327 553257439 /nfs/dbraw/zinc/25/74/39/553257439.db2.gz OJNCTQANHCNNIA-HXUWFJFHSA-N -1 1 504.593 5.218 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccs3)sc2c1 ZINC000009412494 553257653 /nfs/dbraw/zinc/25/76/53/553257653.db2.gz ZHAVJIRSPJDGBY-FATZIPQQSA-N -1 1 518.616 5.863 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(O)c3)nc2c(C)c1 ZINC000009424116 553258503 /nfs/dbraw/zinc/25/85/03/553258503.db2.gz FCPMNAMXJJEXKP-DEOSSOPVSA-N -1 1 514.559 5.173 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000009424921 553259126 /nfs/dbraw/zinc/25/91/26/553259126.db2.gz ARDDOWVZCSVPSO-XMMPIXPASA-N -1 1 515.566 5.656 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccs1)c1ccc2c(c1)OCCO2 ZINC000009471261 553269716 /nfs/dbraw/zinc/26/97/16/553269716.db2.gz WAWQAUIJEUSICR-FQEVSTJZSA-N -1 1 510.980 5.565 50 30 KKEAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccc(F)cc2)cc1 ZINC000009482615 553272669 /nfs/dbraw/zinc/27/26/69/553272669.db2.gz VYDPQLBRJPHVJV-BGOLNKOXSA-N -1 1 528.580 5.908 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccs2)s1 ZINC000009540741 553277717 /nfs/dbraw/zinc/27/77/17/553277717.db2.gz NUFILCIFHNUTKG-JOCHJYFZSA-N -1 1 503.605 5.578 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1 ZINC000009600899 553286234 /nfs/dbraw/zinc/28/62/34/553286234.db2.gz QAOJFZPIPYFCHI-QFIPXVFZSA-N -1 1 506.967 5.750 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)c1 ZINC000009600899 553286235 /nfs/dbraw/zinc/28/62/35/553286235.db2.gz QAOJFZPIPYFCHI-QFIPXVFZSA-N -1 1 506.967 5.750 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009608879 553287747 /nfs/dbraw/zinc/28/77/47/553287747.db2.gz ZLHUVOVVWICFGW-NRFANRHFSA-N -1 1 508.043 5.925 50 30 KKEAMM CCN(CC)c1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc1 ZINC000009780992 553307832 /nfs/dbraw/zinc/30/78/32/553307832.db2.gz UESDYIBDTQYSNL-HSZRJFAPSA-N -1 1 504.631 6.024 50 30 KKEAMM COc1cccc([C@@H]2c3c(=O)[n-]c(SCc4cccc(Cl)c4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009942575 553319710 /nfs/dbraw/zinc/31/97/10/553319710.db2.gz RNWINXWOUAGMCH-NRFANRHFSA-N -1 1 508.043 5.925 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000013549063 553469890 /nfs/dbraw/zinc/46/98/90/553469890.db2.gz LUNUNBZLAKMUTE-XMMPIXPASA-N -1 1 500.576 5.659 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013550611 553470264 /nfs/dbraw/zinc/47/02/64/553470264.db2.gz LOTCVAQTTUVMAP-HSZRJFAPSA-N -1 1 504.633 6.492 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000013551269 553470469 /nfs/dbraw/zinc/47/04/69/553470469.db2.gz OOUPVPAJAIXGKK-NRFANRHFSA-N -1 1 506.580 5.037 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000013552686 553470900 /nfs/dbraw/zinc/47/09/00/553470900.db2.gz DGWKTSPIAJMVLV-NRFANRHFSA-N -1 1 504.589 5.490 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013569211 553473592 /nfs/dbraw/zinc/47/35/92/553473592.db2.gz MZWBTXCFOAYNIM-XMMPIXPASA-N -1 1 502.592 6.332 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000013569211 553473594 /nfs/dbraw/zinc/47/35/94/553473594.db2.gz MZWBTXCFOAYNIM-XMMPIXPASA-N -1 1 502.592 6.332 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000013569585 553473673 /nfs/dbraw/zinc/47/36/73/553473673.db2.gz AJKZJHIFQTXSHY-JOCHJYFZSA-N -1 1 504.564 5.560 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000013569585 553473675 /nfs/dbraw/zinc/47/36/75/553473675.db2.gz AJKZJHIFQTXSHY-JOCHJYFZSA-N -1 1 504.564 5.560 50 30 KKEAMM Cc1cc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c([O-])c(Br)c1C ZINC000015134380 553528211 /nfs/dbraw/zinc/52/82/11/553528211.db2.gz KZOKFORMUCWXRO-OPEKNORGSA-N -1 1 500.190 7.093 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016729869 553575970 /nfs/dbraw/zinc/57/59/70/553575970.db2.gz KJYYSLAXXOKQOM-QHCPKHFHSA-N -1 1 505.640 6.106 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000016730280 553576456 /nfs/dbraw/zinc/57/64/56/553576456.db2.gz QFLPQSWKAXIIMG-OAQYLSRUSA-N -1 1 524.570 5.257 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccccc2F)nc1C ZINC000016730395 553576577 /nfs/dbraw/zinc/57/65/77/553576577.db2.gz ALOOPPQKFMMITO-HXUWFJFHSA-N -1 1 510.518 5.164 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000016732180 553577563 /nfs/dbraw/zinc/57/75/63/553577563.db2.gz CNRIAVNUAFDKNO-IBGZPJMESA-N -1 1 517.390 5.752 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)c1 ZINC000017014800 553586593 /nfs/dbraw/zinc/58/65/93/553586593.db2.gz BANQQEQCBDLBOW-RUZDIDTESA-N -1 1 512.587 5.822 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)c1 ZINC000017014800 553586594 /nfs/dbraw/zinc/58/65/94/553586594.db2.gz BANQQEQCBDLBOW-RUZDIDTESA-N -1 1 512.587 5.822 50 30 KKEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4ccc(F)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000020134302 553592567 /nfs/dbraw/zinc/59/25/67/553592567.db2.gz FHTNXEQYNMFTAO-OAQYLSRUSA-N -1 1 521.614 5.419 50 30 KKEAMM CCOc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017307577 553593136 /nfs/dbraw/zinc/59/31/36/553593136.db2.gz BIIXQJPYWPKPMM-QFIPXVFZSA-N -1 1 505.615 6.213 50 30 KKEAMM C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21 ZINC000096114602 553725438 /nfs/dbraw/zinc/72/54/38/553725438.db2.gz IJSMTWMIPNTWQJ-GOSISDBHSA-N -1 1 500.503 5.276 50 30 biogenic KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097939532 553759729 /nfs/dbraw/zinc/75/97/29/553759729.db2.gz JOWUBPYLGSVTKA-GDLZYMKVSA-N -1 1 598.677 7.412 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000097951686 553810567 /nfs/dbraw/zinc/81/05/67/553810567.db2.gz RNWAFVXLEFPUEV-JOCHJYFZSA-N -1 1 540.797 6.062 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097951820 553811749 /nfs/dbraw/zinc/81/17/49/553811749.db2.gz OCFAOIGISJGXAL-SANMLTNESA-N -1 1 544.629 6.194 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097952166 553813480 /nfs/dbraw/zinc/81/34/80/553813480.db2.gz NVBQADXMKIQLND-SANMLTNESA-N -1 1 528.630 6.493 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000097952235 553814063 /nfs/dbraw/zinc/81/40/63/553814063.db2.gz JDNKZCCRVKGQNO-DEOSSOPVSA-N -1 1 542.573 5.425 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952245 553814206 /nfs/dbraw/zinc/81/42/06/553814206.db2.gz KZKZGEAIESNBER-VWLOTQADSA-N -1 1 533.049 7.084 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952245 553814207 /nfs/dbraw/zinc/81/42/07/553814207.db2.gz KZKZGEAIESNBER-VWLOTQADSA-N -1 1 533.049 7.084 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000097952259 553814449 /nfs/dbraw/zinc/81/44/49/553814449.db2.gz JTKNYDNZVMQKOP-QHCPKHFHSA-N -1 1 533.005 6.082 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000097952389 553815329 /nfs/dbraw/zinc/81/53/29/553815329.db2.gz GLJVJXUPOQAIMJ-DEOSSOPVSA-N -1 1 529.574 5.921 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000097952471 553816081 /nfs/dbraw/zinc/81/60/81/553816081.db2.gz ODFVSBDNIXCZNW-SANMLTNESA-N -1 1 528.630 6.439 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097952534 553816266 /nfs/dbraw/zinc/81/62/66/553816266.db2.gz BOYMKYVYCJJHEU-HSZRJFAPSA-N -1 1 531.546 5.313 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000097952564 553816645 /nfs/dbraw/zinc/81/66/45/553816645.db2.gz MPYLMNYTOWUMFF-HSZRJFAPSA-N -1 1 535.021 6.312 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000097952564 553816646 /nfs/dbraw/zinc/81/66/46/553816646.db2.gz MPYLMNYTOWUMFF-HSZRJFAPSA-N -1 1 535.021 6.312 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000097952639 553817462 /nfs/dbraw/zinc/81/74/62/553817462.db2.gz CEDHVXMBSQRJTQ-JBOQNHBVSA-N -1 1 512.650 6.785 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000097952991 553818446 /nfs/dbraw/zinc/81/84/46/553818446.db2.gz XKAMXTAFKOLHOE-HSZRJFAPSA-N -1 1 534.977 5.512 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000097953066 553819202 /nfs/dbraw/zinc/81/92/02/553819202.db2.gz AQRHPFGCYONOMP-RUZDIDTESA-N -1 1 544.585 5.258 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000097953066 553819205 /nfs/dbraw/zinc/81/92/05/553819205.db2.gz AQRHPFGCYONOMP-RUZDIDTESA-N -1 1 544.585 5.258 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097954026 553820700 /nfs/dbraw/zinc/82/07/00/553820700.db2.gz LJAAGQWKYKXPHW-HSZRJFAPSA-N -1 1 534.977 5.512 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000097954984 553827014 /nfs/dbraw/zinc/82/70/14/553827014.db2.gz DEUXHZJIKRCGGA-XMMPIXPASA-N -1 1 548.661 6.207 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000097954984 553827016 /nfs/dbraw/zinc/82/70/16/553827016.db2.gz DEUXHZJIKRCGGA-XMMPIXPASA-N -1 1 548.661 6.207 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955015 553827395 /nfs/dbraw/zinc/82/73/95/553827395.db2.gz PALGSGOSKGPQAV-LFPIHBKWSA-N -1 1 533.005 6.065 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955015 553827399 /nfs/dbraw/zinc/82/73/99/553827399.db2.gz PALGSGOSKGPQAV-LFPIHBKWSA-N -1 1 533.005 6.065 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955061 553827887 /nfs/dbraw/zinc/82/78/87/553827887.db2.gz COHFWDCMQFYUEK-NPMABZOXSA-N -1 1 537.424 6.709 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1O ZINC000097955043 553827949 /nfs/dbraw/zinc/82/79/49/553827949.db2.gz VCPAFSTVRCEUTE-SGANQWHYSA-N -1 1 528.586 5.425 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097955077 553828265 /nfs/dbraw/zinc/82/82/65/553828265.db2.gz JPMNYKVBWSIGRX-AREMUKBSSA-N -1 1 622.696 5.760 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000097955086 553828364 /nfs/dbraw/zinc/82/83/64/553828364.db2.gz IOMDXLIZGUSVTP-CBZJRKILSA-N -1 1 540.641 6.535 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000097955113 553828668 /nfs/dbraw/zinc/82/86/68/553828668.db2.gz IZJZSYDKKSZKQN-YHAMSUFESA-N -1 1 542.632 6.839 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000097955097 553828710 /nfs/dbraw/zinc/82/87/10/553828710.db2.gz MUOTXTXHMXSLDV-BZQUYTCOSA-N -1 1 528.586 5.507 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097955108 553828728 /nfs/dbraw/zinc/82/87/28/553828728.db2.gz STGDNZMIQFUGIG-MHZLTWQESA-N -1 1 636.723 6.006 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000097955180 553829431 /nfs/dbraw/zinc/82/94/31/553829431.db2.gz RKSIPBQZWQNQKA-ODCWNRFASA-N -1 1 530.577 5.940 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000097955180 553829434 /nfs/dbraw/zinc/82/94/34/553829434.db2.gz RKSIPBQZWQNQKA-ODCWNRFASA-N -1 1 530.577 5.940 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097955215 553829817 /nfs/dbraw/zinc/82/98/17/553829817.db2.gz VQDGUISJXRILPG-PMERELPUSA-N -1 1 641.101 7.091 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000097955240 553830159 /nfs/dbraw/zinc/83/01/59/553830159.db2.gz MXWUXHVHVOHHSL-CPJLOUKISA-N -1 1 531.033 6.673 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000097955289 553830477 /nfs/dbraw/zinc/83/04/77/553830477.db2.gz HZXOHJQHQPGFTD-XMMPIXPASA-N -1 1 623.481 5.944 50 30 KKEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000027527729 553830910 /nfs/dbraw/zinc/83/09/10/553830910.db2.gz OEWLKHQDFSOBIA-OAQYLSRUSA-N -1 1 509.312 5.149 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955294 553831012 /nfs/dbraw/zinc/83/10/12/553831012.db2.gz XIKOBSVLTLOWBK-QLXKLKPCSA-N -1 1 526.614 6.110 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000097955637 553831990 /nfs/dbraw/zinc/83/19/90/553831990.db2.gz MFISSRQSOXHHDR-JCQPUDPBSA-N -1 1 520.969 6.195 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955667 553832361 /nfs/dbraw/zinc/83/23/61/553832361.db2.gz OZCGVPFPLKUTKR-XRHLQHRESA-N -1 1 540.641 6.418 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097955694 553832901 /nfs/dbraw/zinc/83/29/01/553832901.db2.gz AIEXQUWTZBIGOD-IQMFZBJNSA-N -1 1 532.618 5.468 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955780 553833784 /nfs/dbraw/zinc/83/37/84/553833784.db2.gz PCOKUXMMQZWNFL-HHHXNRCGSA-N -1 1 591.085 7.073 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097955835 553834285 /nfs/dbraw/zinc/83/42/85/553834285.db2.gz JTRKYSNNLOICRC-RUZDIDTESA-N -1 1 526.570 5.276 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1OC ZINC000097955869 553834624 /nfs/dbraw/zinc/83/46/24/553834624.db2.gz LJMBYFDSUQGAHY-AREMUKBSSA-N -1 1 542.613 5.831 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000097955843 553834679 /nfs/dbraw/zinc/83/46/79/553834679.db2.gz LLTBIZLPLMRARC-MQNRADLISA-N -1 1 528.586 5.507 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097956536 553839361 /nfs/dbraw/zinc/83/93/61/553839361.db2.gz HATVPPTZTQFWCZ-PWECECGKSA-N -1 1 544.585 5.125 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000097956536 553839362 /nfs/dbraw/zinc/83/93/62/553839362.db2.gz HATVPPTZTQFWCZ-PWECECGKSA-N -1 1 544.585 5.125 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000097956798 553841759 /nfs/dbraw/zinc/84/17/59/553841759.db2.gz WWIGXJAPRKMINB-QFIPXVFZSA-N -1 1 536.606 5.127 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000097956852 553842548 /nfs/dbraw/zinc/84/25/48/553842548.db2.gz AUSBMIBQPFLGCQ-HSZRJFAPSA-N -1 1 532.618 5.457 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@@H]2c2ccccc2F)nc1C ZINC000097956876 553842978 /nfs/dbraw/zinc/84/29/78/553842978.db2.gz XXRRWHOGRMJNRN-QHCPKHFHSA-N -1 1 548.592 5.590 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000097956885 553843066 /nfs/dbraw/zinc/84/30/66/553843066.db2.gz VAPMJTSSWBEJHV-RUZDIDTESA-N -1 1 574.655 5.849 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097966798 553910372 /nfs/dbraw/zinc/91/03/72/553910372.db2.gz UJVNWNJBYJXVKH-LJAQVGFWSA-N -1 1 640.714 6.482 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000097967243 553915698 /nfs/dbraw/zinc/91/56/98/553915698.db2.gz NKPWOKYVJKSXCO-MUUNZHRXSA-N -1 1 628.703 6.316 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000097967248 553915776 /nfs/dbraw/zinc/91/57/76/553915776.db2.gz KJUYEXJOIBAZRY-BZQUYTCOSA-N -1 1 565.478 7.326 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000097967248 553915778 /nfs/dbraw/zinc/91/57/78/553915778.db2.gz KJUYEXJOIBAZRY-BZQUYTCOSA-N -1 1 565.478 7.326 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967285 553916203 /nfs/dbraw/zinc/91/62/03/553916203.db2.gz VTOLIRNNZYXPDB-LBEKAKSKSA-N -1 1 598.677 6.375 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967265 553916259 /nfs/dbraw/zinc/91/62/59/553916259.db2.gz UCUBHESGQFBZIC-WGDIFIGCSA-N -1 1 620.152 6.989 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000097967307 553916838 /nfs/dbraw/zinc/91/68/38/553916838.db2.gz DZENTNQWFCVRFB-JPQMRUPTSA-N -1 1 661.805 7.824 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967349 553917197 /nfs/dbraw/zinc/91/71/97/553917197.db2.gz MXUDVLQDTJPAEL-MYUZEXMDSA-N -1 1 601.725 7.199 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967349 553917199 /nfs/dbraw/zinc/91/71/99/553917199.db2.gz MXUDVLQDTJPAEL-MYUZEXMDSA-N -1 1 601.725 7.199 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967360 553917746 /nfs/dbraw/zinc/91/77/46/553917746.db2.gz RXSXRMPGJGOMKV-XDBZFTIUSA-N -1 1 664.205 7.388 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097967380 553917763 /nfs/dbraw/zinc/91/77/63/553917763.db2.gz WLCAPYHJBBGDRB-PVAZPRTOSA-N -1 1 677.848 8.659 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097967406 553918062 /nfs/dbraw/zinc/91/80/62/553918062.db2.gz VOPICFILUMBCOV-XIFFEERXSA-N -1 1 672.759 8.257 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097967417 553918092 /nfs/dbraw/zinc/91/80/92/553918092.db2.gz QMGXVMABECFHJD-WHLCRQNOSA-N -1 1 554.668 6.890 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097967415 553918104 /nfs/dbraw/zinc/91/81/04/553918104.db2.gz QMGXVMABECFHJD-HMILPKGGSA-N -1 1 554.668 6.890 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097967435 553918587 /nfs/dbraw/zinc/91/85/87/553918587.db2.gz MZRQUZTYOOVBHV-DLUDVSRJSA-N -1 1 637.508 6.278 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097967450 553918600 /nfs/dbraw/zinc/91/86/00/553918600.db2.gz AUVUHUUSWSYYMU-WENCNXQZSA-N -1 1 598.721 7.226 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967462 553918953 /nfs/dbraw/zinc/91/89/53/553918953.db2.gz QDZGQFHWGBFRCO-NDEPHWFRSA-N -1 1 586.666 6.428 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097967462 553918955 /nfs/dbraw/zinc/91/89/55/553918955.db2.gz QDZGQFHWGBFRCO-NDEPHWFRSA-N -1 1 586.666 6.428 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967505 553919296 /nfs/dbraw/zinc/91/92/96/553919296.db2.gz NBCMWMRHEFYBPT-GRMGDBHTSA-N -1 1 707.874 8.668 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097967512 553919353 /nfs/dbraw/zinc/91/93/53/553919353.db2.gz ZERQKSOSMFROFS-XDBZFTIUSA-N -1 1 570.667 6.590 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967492 553919540 /nfs/dbraw/zinc/91/95/40/553919540.db2.gz OZCLRDYLTMVFHI-JMQGSBJISA-N -1 1 589.113 7.625 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967492 553919542 /nfs/dbraw/zinc/91/95/42/553919542.db2.gz OZCLRDYLTMVFHI-JMQGSBJISA-N -1 1 589.113 7.625 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000097967529 553919662 /nfs/dbraw/zinc/91/96/62/553919662.db2.gz ZPMIYTGVFDGHRW-DAOPMYJZSA-N -1 1 627.900 6.533 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967530 553919731 /nfs/dbraw/zinc/91/97/31/553919731.db2.gz FHOPAFLEIUHOSK-WENCNXQZSA-N -1 1 574.658 7.503 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967534 553919871 /nfs/dbraw/zinc/91/98/71/553919871.db2.gz CTGKVTOMPLIJOC-SOKVYYICSA-N -1 1 590.698 6.338 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967534 553919874 /nfs/dbraw/zinc/91/98/74/553919874.db2.gz CTGKVTOMPLIJOC-SOKVYYICSA-N -1 1 590.698 6.338 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000097967560 553920274 /nfs/dbraw/zinc/92/02/74/553920274.db2.gz JAPJTOWDOVEXMI-NDEPHWFRSA-N -1 1 570.667 6.646 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967597 553920603 /nfs/dbraw/zinc/92/06/03/553920603.db2.gz LMJKMAVCZXWNGS-GEFUHLBYSA-N -1 1 628.747 7.379 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967631 553920964 /nfs/dbraw/zinc/92/09/64/553920964.db2.gz GZUVFJHDXVOIRK-RCRUUEGKSA-N -1 1 641.815 7.814 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097967635 553920981 /nfs/dbraw/zinc/92/09/81/553920981.db2.gz XFXBPYNQAKCALO-HKBQPEDESA-N -1 1 628.747 7.291 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967630 553921164 /nfs/dbraw/zinc/92/11/64/553921164.db2.gz GZUVFJHDXVOIRK-YKGWIAGDSA-N -1 1 641.815 7.814 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097967671 553921482 /nfs/dbraw/zinc/92/14/82/553921482.db2.gz GNFQORWHTZHRIM-OWJWWREXSA-N -1 1 561.457 6.474 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967703 553921887 /nfs/dbraw/zinc/92/18/87/553921887.db2.gz AUDIOSAGIXFCJF-BGOLNKOXSA-N -1 1 706.286 8.558 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967717 553922244 /nfs/dbraw/zinc/92/22/44/553922244.db2.gz IVAWWMRPLKQKHB-CRYYWNKWSA-N -1 1 569.639 5.540 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967778 553923131 /nfs/dbraw/zinc/92/31/31/553923131.db2.gz BSGKPVVDFAYZMA-LJAQVGFWSA-N -1 1 614.676 6.213 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967778 553923135 /nfs/dbraw/zinc/92/31/35/553923135.db2.gz BSGKPVVDFAYZMA-LJAQVGFWSA-N -1 1 614.676 6.213 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000097967835 553923932 /nfs/dbraw/zinc/92/39/32/553923932.db2.gz IWDPMZWJTHNKIO-SSEXGKCCSA-N -1 1 742.703 8.515 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097967884 553924444 /nfs/dbraw/zinc/92/44/44/553924444.db2.gz BDZGZRFQZVAHME-MYYSRTQBSA-N -1 1 594.089 6.729 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097967980 553925736 /nfs/dbraw/zinc/92/57/36/553925736.db2.gz BPKNZSOEMHGBBX-SOKVYYICSA-N -1 1 558.631 6.721 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097967980 553925739 /nfs/dbraw/zinc/92/57/39/553925739.db2.gz BPKNZSOEMHGBBX-SOKVYYICSA-N -1 1 558.631 6.721 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097968002 553926119 /nfs/dbraw/zinc/92/61/19/553926119.db2.gz HIGVSZHLKTWPSO-BSEYFRJRSA-N -1 1 628.534 7.383 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968076 553927379 /nfs/dbraw/zinc/92/73/79/553927379.db2.gz SITBMWRFEJMDPY-RUZDIDTESA-N -1 1 587.679 5.783 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968103 553927520 /nfs/dbraw/zinc/92/75/20/553927520.db2.gz WAJXKSFJEWWWOT-MUUNZHRXSA-N -1 1 664.205 7.463 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097968074 553927565 /nfs/dbraw/zinc/92/75/65/553927565.db2.gz SFGQTMNXTYLUAO-AREMUKBSSA-N -1 1 592.670 5.786 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968118 553927979 /nfs/dbraw/zinc/92/79/79/553927979.db2.gz MYOHFPASENMQJH-MHZLTWQESA-N -1 1 650.178 7.217 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968117 553928008 /nfs/dbraw/zinc/92/80/08/553928008.db2.gz MYOHFPASENMQJH-HHHXNRCGSA-N -1 1 650.178 7.217 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097968163 553928244 /nfs/dbraw/zinc/92/82/44/553928244.db2.gz WEBPSHQTYZVXAD-JMQGSBJISA-N -1 1 572.658 7.111 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097968163 553928248 /nfs/dbraw/zinc/92/82/48/553928248.db2.gz WEBPSHQTYZVXAD-JMQGSBJISA-N -1 1 572.658 7.111 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097968142 553928312 /nfs/dbraw/zinc/92/83/12/553928312.db2.gz QXALVKORBUJUGA-MUUNZHRXSA-N -1 1 623.712 6.546 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097968177 553928842 /nfs/dbraw/zinc/92/88/42/553928842.db2.gz PALBKIODDRLUFE-LJAQVGFWSA-N -1 1 677.776 7.101 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097968234 553929633 /nfs/dbraw/zinc/92/96/33/553929633.db2.gz HXTMSVDTAFEYJU-XMMPIXPASA-N -1 1 636.107 5.825 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097968271 553930131 /nfs/dbraw/zinc/93/01/31/553930131.db2.gz LUJQUHUGPPPRSK-SSEXGKCCSA-N -1 1 691.803 7.491 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097968324 553930706 /nfs/dbraw/zinc/93/07/06/553930706.db2.gz STUACRWXCGLULW-GDJIYFAZSA-N -1 1 634.751 6.702 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097968350 553930828 /nfs/dbraw/zinc/93/08/28/553930828.db2.gz PODIDMXCKUYDRJ-DEOSSOPVSA-N -1 1 619.652 5.310 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097968355 553931164 /nfs/dbraw/zinc/93/11/64/553931164.db2.gz CXBQUBBSCRVODO-AREMUKBSSA-N -1 1 620.152 7.161 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000033354871 553931973 /nfs/dbraw/zinc/93/19/73/553931973.db2.gz OFPSPPPCWWWDFA-QFIPXVFZSA-N -1 1 540.797 5.980 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097969154 553937496 /nfs/dbraw/zinc/93/74/96/553937496.db2.gz ARVUTJUCXDOALP-XDBZFTIUSA-N -1 1 570.667 6.508 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969236 553938345 /nfs/dbraw/zinc/93/83/45/553938345.db2.gz DQYIJPVUNOQTFJ-PUAOIOHZSA-N -1 1 634.135 6.377 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097969219 553938450 /nfs/dbraw/zinc/93/84/50/553938450.db2.gz PCPYJZJBKHZVQZ-KTBRYMIGSA-N -1 1 618.711 7.380 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)s2)cc1 ZINC000097969302 553939168 /nfs/dbraw/zinc/93/91/68/553939168.db2.gz ZBWYUCRNHVOJPS-NSYGIPOTSA-N -1 1 573.671 6.384 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097969333 553939663 /nfs/dbraw/zinc/93/96/63/553939663.db2.gz DURRCBRGTBIONN-LFPIHBKWSA-N -1 1 577.456 6.174 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000097969497 553941563 /nfs/dbraw/zinc/94/15/63/553941563.db2.gz WDSBAXTZOSRDIM-AREMUKBSSA-N -1 1 637.541 7.605 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097969578 553942618 /nfs/dbraw/zinc/94/26/18/553942618.db2.gz VSJXUWWXBUDXBC-UPCLLVRISA-N -1 1 559.644 6.076 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969650 553943334 /nfs/dbraw/zinc/94/33/34/553943334.db2.gz VLCALTNROZAOOJ-LMKMVOKYSA-N -1 1 606.125 6.599 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969783 553944885 /nfs/dbraw/zinc/94/48/85/553944885.db2.gz MURYTZLSDOZNHE-FLASPHMUSA-N -1 1 677.848 8.515 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969792 553945014 /nfs/dbraw/zinc/94/50/14/553945014.db2.gz GBKLGWICEKKVEJ-SSEXGKCCSA-N -1 1 630.719 6.827 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969792 553945017 /nfs/dbraw/zinc/94/50/17/553945017.db2.gz GBKLGWICEKKVEJ-SSEXGKCCSA-N -1 1 630.719 6.827 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097969812 553945567 /nfs/dbraw/zinc/94/55/67/553945567.db2.gz JONNWPWVOCBTFL-BZQUYTCOSA-N -1 1 591.483 6.564 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097969836 553945643 /nfs/dbraw/zinc/94/56/43/553945643.db2.gz CKWHABROIRLQIV-WGDIFIGCSA-N -1 1 604.681 5.698 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097969836 553945644 /nfs/dbraw/zinc/94/56/44/553945644.db2.gz CKWHABROIRLQIV-WGDIFIGCSA-N -1 1 604.681 5.698 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097969868 553945988 /nfs/dbraw/zinc/94/59/88/553945988.db2.gz AAQJLPQMKWAFSB-HSZRJFAPSA-N -1 1 565.445 6.167 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097969874 553946590 /nfs/dbraw/zinc/94/65/90/553946590.db2.gz KXDXKEJYRGLENW-MRDQGFSESA-N -1 1 606.697 5.922 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969905 553946877 /nfs/dbraw/zinc/94/68/77/553946877.db2.gz VVECYNPUMUNUOT-RBSBEOHCSA-N -1 1 619.139 7.634 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969905 553946879 /nfs/dbraw/zinc/94/68/79/553946879.db2.gz VVECYNPUMUNUOT-RBSBEOHCSA-N -1 1 619.139 7.634 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969911 553946889 /nfs/dbraw/zinc/94/68/89/553946889.db2.gz FGZQKCDTOTUZRF-ROTAYESASA-N -1 1 665.768 7.655 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097969948 553947248 /nfs/dbraw/zinc/94/72/48/553947248.db2.gz JAGFUGMDQSLALB-JGCGQSQUSA-N -1 1 650.709 6.837 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969955 553947303 /nfs/dbraw/zinc/94/73/03/553947303.db2.gz YGJCBRPRXSFJQS-MUUNZHRXSA-N -1 1 570.667 6.584 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969943 553947314 /nfs/dbraw/zinc/94/73/14/553947314.db2.gz GJLYXBKYSWQUFO-XHCCPWGMSA-N -1 1 599.734 6.726 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970010 553948113 /nfs/dbraw/zinc/94/81/13/553948113.db2.gz XCXVNGFHBWUOPR-JRPXNJEYSA-N -1 1 655.798 7.209 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000097969995 553948232 /nfs/dbraw/zinc/94/82/32/553948232.db2.gz ARUVKLHDGYVQME-XFSFLGPDSA-N -1 1 642.774 7.625 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970039 553948495 /nfs/dbraw/zinc/94/84/95/553948495.db2.gz WMQTYBYLZGXGMK-DXPJPUQTSA-N -1 1 574.655 5.724 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970039 553948498 /nfs/dbraw/zinc/94/84/98/553948498.db2.gz WMQTYBYLZGXGMK-DXPJPUQTSA-N -1 1 574.655 5.724 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970022 553948577 /nfs/dbraw/zinc/94/85/77/553948577.db2.gz LIORHOOMLOGPNK-WRHNGFHOSA-N -1 1 589.113 7.625 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097970022 553948581 /nfs/dbraw/zinc/94/85/81/553948581.db2.gz LIORHOOMLOGPNK-WRHNGFHOSA-N -1 1 589.113 7.625 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970032 553948702 /nfs/dbraw/zinc/94/87/02/553948702.db2.gz CQFNRBHTFXLVBR-XBBWARJSSA-N -1 1 621.740 7.099 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970068 553948947 /nfs/dbraw/zinc/94/89/47/553948947.db2.gz AUIKROCVVBFSSI-SANMLTNESA-N -1 1 604.681 5.773 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097970133 553949921 /nfs/dbraw/zinc/94/99/21/553949921.db2.gz HPSYUKJYSZXWJD-QHCPKHFHSA-N -1 1 625.453 5.336 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970178 553950377 /nfs/dbraw/zinc/95/03/77/553950377.db2.gz KVDBZCQTBICYFG-RUZDIDTESA-N -1 1 592.670 5.607 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000097970161 553950409 /nfs/dbraw/zinc/95/04/09/553950409.db2.gz VKGAEKLAXDFNPT-BGOLNKOXSA-N -1 1 689.831 7.899 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970164 553950460 /nfs/dbraw/zinc/95/04/60/553950460.db2.gz YISZKSHSNAKION-ADXZGYQBSA-N -1 1 661.777 7.263 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097970180 553950530 /nfs/dbraw/zinc/95/05/30/553950530.db2.gz AQUGOHYNMIRTIO-AFJIDDCJSA-N -1 1 646.762 6.724 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097970180 553950532 /nfs/dbraw/zinc/95/05/32/553950532.db2.gz AQUGOHYNMIRTIO-AFJIDDCJSA-N -1 1 646.762 6.724 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970194 553950840 /nfs/dbraw/zinc/95/08/40/553950840.db2.gz RODFQFMQMKGUDI-GDLZYMKVSA-N -1 1 616.692 6.437 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970194 553950842 /nfs/dbraw/zinc/95/08/42/553950842.db2.gz RODFQFMQMKGUDI-GDLZYMKVSA-N -1 1 616.692 6.437 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970226 553951170 /nfs/dbraw/zinc/95/11/70/553951170.db2.gz KUJPFCDOETZZLO-PBBNMVCDSA-N -1 1 627.788 7.362 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097970222 553951252 /nfs/dbraw/zinc/95/12/52/553951252.db2.gz BYRZQMYNSNSTJW-SONOPUAISA-N -1 1 584.694 6.836 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970232 553951273 /nfs/dbraw/zinc/95/12/73/553951273.db2.gz DONRJXXMKFYYOL-UKPGIYTDSA-N -1 1 633.795 8.213 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970213 553951295 /nfs/dbraw/zinc/95/12/95/553951295.db2.gz WIYCYUVWPIOKAT-QUGAMOGWSA-N -1 1 606.697 5.922 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970213 553951297 /nfs/dbraw/zinc/95/12/97/553951297.db2.gz WIYCYUVWPIOKAT-QUGAMOGWSA-N -1 1 606.697 5.922 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970255 553951599 /nfs/dbraw/zinc/95/15/99/553951599.db2.gz NYVFOLBPVSZCDS-QTEAWJPNSA-N -1 1 633.166 8.024 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970255 553951601 /nfs/dbraw/zinc/95/16/01/553951601.db2.gz NYVFOLBPVSZCDS-QTEAWJPNSA-N -1 1 633.166 8.024 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097970266 553951654 /nfs/dbraw/zinc/95/16/54/553951654.db2.gz SWPMDHAPUGPLSN-ICACTRECSA-N -1 1 626.775 7.843 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970300 553952070 /nfs/dbraw/zinc/95/20/70/553952070.db2.gz SLPZXFOCVZWNEF-WRONEBCDSA-N -1 1 645.778 7.501 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000097970315 553952367 /nfs/dbraw/zinc/95/23/67/553952367.db2.gz PIXNNCFZLJJBGW-MNAQKMTRSA-N -1 1 618.711 7.380 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097970333 553952996 /nfs/dbraw/zinc/95/29/96/553952996.db2.gz NNGGFUBNPWOUDQ-IIMAJNMQSA-N -1 1 582.722 7.588 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970420 553953772 /nfs/dbraw/zinc/95/37/72/553953772.db2.gz XUDSBENVHAIAHX-MCMMXHMISA-N -1 1 641.496 5.377 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970414 553953801 /nfs/dbraw/zinc/95/38/01/553953801.db2.gz UYTIXVIHQMTKSH-CLYVBNDRSA-N -1 1 618.180 7.714 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970414 553953805 /nfs/dbraw/zinc/95/38/05/553953805.db2.gz UYTIXVIHQMTKSH-CLYVBNDRSA-N -1 1 618.180 7.714 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097970431 553954107 /nfs/dbraw/zinc/95/41/07/553954107.db2.gz HWJRXJRFVWQPMP-YEBMWUKDSA-N -1 1 567.450 6.718 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000097970441 553954154 /nfs/dbraw/zinc/95/41/54/553954154.db2.gz IOAKEVYSVCTVOI-PEBXRYMYSA-N -1 1 551.020 5.554 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970459 553954653 /nfs/dbraw/zinc/95/46/53/553954653.db2.gz PCEVXAMAPWSBRQ-VKGTZQKMSA-N -1 1 610.688 6.314 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970459 553954656 /nfs/dbraw/zinc/95/46/56/553954656.db2.gz PCEVXAMAPWSBRQ-VKGTZQKMSA-N -1 1 610.688 6.314 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970485 553954711 /nfs/dbraw/zinc/95/47/11/553954711.db2.gz VVDLXOGUDOGWEI-JCOAXYOVSA-N -1 1 647.778 7.655 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970512 553954893 /nfs/dbraw/zinc/95/48/93/553954893.db2.gz RRCHHMLAVJLNHH-HPGBDJQBSA-N -1 1 605.112 7.244 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970512 553954894 /nfs/dbraw/zinc/95/48/94/553954894.db2.gz RRCHHMLAVJLNHH-HPGBDJQBSA-N -1 1 605.112 7.244 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000097970496 553955079 /nfs/dbraw/zinc/95/50/79/553955079.db2.gz LAEUMNBBMDOXOM-UULLZXFKSA-N -1 1 586.666 6.209 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000097970496 553955082 /nfs/dbraw/zinc/95/50/82/553955082.db2.gz LAEUMNBBMDOXOM-UULLZXFKSA-N -1 1 586.666 6.209 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970540 553955411 /nfs/dbraw/zinc/95/54/11/553955411.db2.gz NEXGSQATWVFRKW-WRONEBCDSA-N -1 1 643.787 7.043 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970529 553955615 /nfs/dbraw/zinc/95/56/15/553955615.db2.gz WTABNMHZJPOIEZ-GDLZYMKVSA-N -1 1 600.693 6.818 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970529 553955617 /nfs/dbraw/zinc/95/56/17/553955617.db2.gz WTABNMHZJPOIEZ-GDLZYMKVSA-N -1 1 600.693 6.818 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097970569 553955914 /nfs/dbraw/zinc/95/59/14/553955914.db2.gz FSZLIGBAXAQBIQ-XBBWARJSSA-N -1 1 584.694 6.899 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970553 553956039 /nfs/dbraw/zinc/95/60/39/553956039.db2.gz DUIUSWNCWUHUMV-OWJWWREXSA-N -1 1 578.643 5.142 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970553 553956040 /nfs/dbraw/zinc/95/60/40/553956040.db2.gz DUIUSWNCWUHUMV-OWJWWREXSA-N -1 1 578.643 5.142 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970623 553956705 /nfs/dbraw/zinc/95/67/05/553956705.db2.gz WDBFLAWGLSOKPX-WENCNXQZSA-N -1 1 598.721 7.289 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097970633 553956716 /nfs/dbraw/zinc/95/67/16/553956716.db2.gz VXGNNTJHKOGTDX-LDLUVENISA-N -1 1 619.139 7.634 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970654 553957094 /nfs/dbraw/zinc/95/70/94/553957094.db2.gz GLKKYFXQPVULNJ-SSEXGKCCSA-N -1 1 630.719 6.683 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCCC(C)C ZINC000097970654 553957100 /nfs/dbraw/zinc/95/71/00/553957100.db2.gz GLKKYFXQPVULNJ-SSEXGKCCSA-N -1 1 630.719 6.683 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000097970751 553958337 /nfs/dbraw/zinc/95/83/37/553958337.db2.gz FITVUTYSXUATKF-XMMPIXPASA-N -1 1 563.473 6.776 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970755 553958342 /nfs/dbraw/zinc/95/83/42/553958342.db2.gz NFCLWJVXVSQVGD-HMILPKGGSA-N -1 1 568.651 6.227 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970755 553958344 /nfs/dbraw/zinc/95/83/44/553958344.db2.gz NFCLWJVXVSQVGD-HMILPKGGSA-N -1 1 568.651 6.227 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1F)c1ccc(Br)cc1 ZINC000098045379 554131322 /nfs/dbraw/zinc/13/13/22/554131322.db2.gz BFQWJVIEEVHIMC-HXUWFJFHSA-N -1 1 531.175 6.134 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000098045757 554133842 /nfs/dbraw/zinc/13/38/42/554133842.db2.gz RRGLLGLETJXUMJ-RUZDIDTESA-N -1 1 633.520 6.671 50 30 KKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC)cc2)cc1C ZINC000098046313 554137595 /nfs/dbraw/zinc/13/75/95/554137595.db2.gz HREJFLJMBRGIMF-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC)cc2)cc1C ZINC000098046313 554137597 /nfs/dbraw/zinc/13/75/97/554137597.db2.gz HREJFLJMBRGIMF-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)cc3C)[C@@H]2c2ccccc2F)nc1C ZINC000098046327 554138010 /nfs/dbraw/zinc/13/80/10/554138010.db2.gz WKRRQPASHAIKMB-QHCPKHFHSA-N -1 1 550.608 5.814 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000098046371 554138378 /nfs/dbraw/zinc/13/83/78/554138378.db2.gz WSUMDVRJUVQGFM-FQEVSTJZSA-N -1 1 557.422 5.217 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000098046440 554138906 /nfs/dbraw/zinc/13/89/06/554138906.db2.gz VRLKEJUDBJXTGW-RUZDIDTESA-N -1 1 592.142 7.446 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098046449 554138971 /nfs/dbraw/zinc/13/89/71/554138971.db2.gz RWADBTBLJYDAJW-MHZLTWQESA-N -1 1 617.749 6.809 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098046451 554138981 /nfs/dbraw/zinc/13/89/81/554138981.db2.gz YPGXVEDZKGBQSS-MHZLTWQESA-N -1 1 652.194 7.463 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098046475 554139408 /nfs/dbraw/zinc/13/94/08/554139408.db2.gz AZBSIPDIWKMWHD-MHZLTWQESA-N -1 1 665.765 6.957 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000098046464 554139464 /nfs/dbraw/zinc/13/94/64/554139464.db2.gz UDWFTYBFHIJQSP-RUZDIDTESA-N -1 1 610.132 7.585 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccccc2F)cc1 ZINC000098046467 554139500 /nfs/dbraw/zinc/13/95/00/554139500.db2.gz IZBHNXDZMVVQEM-VWLOTQADSA-N -1 1 610.132 7.585 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046509 554139742 /nfs/dbraw/zinc/13/97/42/554139742.db2.gz ANMMKYXBHXLOOS-VWLOTQADSA-N -1 1 626.131 7.203 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000098046500 554139796 /nfs/dbraw/zinc/13/97/96/554139796.db2.gz QETLVDXQCGNAFE-JOCHJYFZSA-N -1 1 613.048 6.323 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098046494 554139975 /nfs/dbraw/zinc/13/99/75/554139975.db2.gz KOLUCLXLEYYJQL-MUUNZHRXSA-N -1 1 625.703 7.553 50 30 KKEAMM Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)o1 ZINC000098046537 554140287 /nfs/dbraw/zinc/14/02/87/554140287.db2.gz VIUOAMYZWNSOLV-JOCHJYFZSA-N -1 1 564.044 6.914 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098046519 554140295 /nfs/dbraw/zinc/14/02/95/554140295.db2.gz WYUSOUTZSYHQBY-MHZLTWQESA-N -1 1 641.702 6.701 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046550 554140782 /nfs/dbraw/zinc/14/07/82/554140782.db2.gz CQMOLHNQRACLLJ-MUUNZHRXSA-N -1 1 552.652 7.703 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046551 554140816 /nfs/dbraw/zinc/14/08/16/554140816.db2.gz CQMOLHNQRACLLJ-NDEPHWFRSA-N -1 1 552.652 7.703 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046620 554141667 /nfs/dbraw/zinc/14/16/67/554141667.db2.gz XOGYUSXJCKMTMW-HHHXNRCGSA-N -1 1 556.640 6.338 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000098046618 554141692 /nfs/dbraw/zinc/14/16/92/554141692.db2.gz ZVZHXENIRKZNOU-AREMUKBSSA-N -1 1 542.613 5.948 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccncc2)cc1 ZINC000098046846 554144113 /nfs/dbraw/zinc/14/41/13/554144113.db2.gz RLOJSPMVQAEEHP-OAQYLSRUSA-N -1 1 551.049 5.670 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047233 554147978 /nfs/dbraw/zinc/14/79/78/554147978.db2.gz VUYVAEYFDBSXIL-MUUNZHRXSA-N -1 1 627.719 7.318 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Br)cc2)cc1F ZINC000098047270 554148843 /nfs/dbraw/zinc/14/88/43/554148843.db2.gz JNZQDXOVHBAGKG-SANMLTNESA-N -1 1 662.562 7.677 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047317 554149140 /nfs/dbraw/zinc/14/91/40/554149140.db2.gz WKXVGKJEOIKHNI-MUUNZHRXSA-N -1 1 660.148 8.207 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000098047334 554149612 /nfs/dbraw/zinc/14/96/12/554149612.db2.gz LPPNHSXCTDHGLS-HHHXNRCGSA-N -1 1 619.740 7.330 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000098047360 554150055 /nfs/dbraw/zinc/15/00/55/554150055.db2.gz NANVQFOWFRIHGS-RUZDIDTESA-N -1 1 626.587 8.099 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098047400 554150559 /nfs/dbraw/zinc/15/05/59/554150559.db2.gz JYFMNUMBSMNCDX-SSEXGKCCSA-N -1 1 678.276 9.015 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047470 554151434 /nfs/dbraw/zinc/15/14/34/554151434.db2.gz UKKFSEMTVDOQRE-JGCGQSQUSA-N -1 1 663.821 8.371 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047458 554151502 /nfs/dbraw/zinc/15/15/02/554151502.db2.gz GKQDXKKZQAVGFU-MUUNZHRXSA-N -1 1 627.694 7.992 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047493 554151729 /nfs/dbraw/zinc/15/17/29/554151729.db2.gz VKQWAFYUEOPINN-MUUNZHRXSA-N -1 1 649.766 7.339 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047515 554152232 /nfs/dbraw/zinc/15/22/32/554152232.db2.gz HDLGPGIEEOEBRT-JGCGQSQUSA-N -1 1 687.884 8.678 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047510 554152244 /nfs/dbraw/zinc/15/22/44/554152244.db2.gz XRZGQHXLAUBECL-SANMLTNESA-N -1 1 650.178 7.232 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000098047559 554152667 /nfs/dbraw/zinc/15/26/67/554152667.db2.gz JAWOLFPVCYJWOW-MGBGTMOVSA-N -1 1 701.911 9.068 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047552 554152732 /nfs/dbraw/zinc/15/27/32/554152732.db2.gz MZTQKQQZAQQZRY-DEOSSOPVSA-N -1 1 593.658 6.134 50 30 KKEAMM CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC ZINC000098047591 554152917 /nfs/dbraw/zinc/15/29/17/554152917.db2.gz LGTOVGOCXKAFIY-WJOKGBTCSA-N -1 1 678.848 8.194 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000098047583 554152983 /nfs/dbraw/zinc/15/29/83/554152983.db2.gz QACPYMUDLLVQHL-JGCGQSQUSA-N -1 1 722.329 9.413 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047625 554153458 /nfs/dbraw/zinc/15/34/58/554153458.db2.gz OASKTQSFNBINBR-HHHXNRCGSA-N -1 1 635.739 6.949 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047631 554154002 /nfs/dbraw/zinc/15/40/02/554154002.db2.gz VMUWOROQKPFMRS-RUZDIDTESA-N -1 1 620.684 6.840 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000098047680 554154433 /nfs/dbraw/zinc/15/44/33/554154433.db2.gz YFZFTJKTDWPEPZ-YTTGMZPUSA-N -1 1 687.884 8.760 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000098047682 554154445 /nfs/dbraw/zinc/15/44/45/554154445.db2.gz OXABTBKSVYBTEB-VWLOTQADSA-N -1 1 626.587 8.099 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000098047673 554154524 /nfs/dbraw/zinc/15/45/24/554154524.db2.gz ABBXRMXVJXUQHN-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000098047673 554154525 /nfs/dbraw/zinc/15/45/25/554154525.db2.gz ABBXRMXVJXUQHN-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C)o2)cc1F ZINC000098047717 554154858 /nfs/dbraw/zinc/15/48/58/554154858.db2.gz PXGHBJUDCRVUJI-RUZDIDTESA-N -1 1 587.654 6.816 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098047725 554154927 /nfs/dbraw/zinc/15/49/27/554154927.db2.gz PMFARINWCWNTSP-HHHXNRCGSA-N -1 1 613.692 6.923 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2F)cc1F ZINC000098047745 554155393 /nfs/dbraw/zinc/15/53/93/554155393.db2.gz MESZTILEZWORPK-AREMUKBSSA-N -1 1 601.656 7.053 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000098047778 554155879 /nfs/dbraw/zinc/15/58/79/554155879.db2.gz HNYMYQXKHCROLR-MHZLTWQESA-N -1 1 630.147 7.437 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000098047895 554157392 /nfs/dbraw/zinc/15/73/92/554157392.db2.gz UOSKJOPCINLQMN-HHHXNRCGSA-N -1 1 625.659 6.373 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccnc2)cc1F ZINC000098047919 554157687 /nfs/dbraw/zinc/15/76/87/554157687.db2.gz BMWNNZGJURYUGW-RUZDIDTESA-N -1 1 568.655 6.609 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(O)cc2)nc1C ZINC000098048014 554158327 /nfs/dbraw/zinc/15/83/27/554158327.db2.gz YFIWODWKYPPQMG-AREMUKBSSA-N -1 1 554.624 6.030 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(O)cc2)nc1C ZINC000098048014 554158328 /nfs/dbraw/zinc/15/83/28/554158328.db2.gz YFIWODWKYPPQMG-AREMUKBSSA-N -1 1 554.624 6.030 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098048029 554158852 /nfs/dbraw/zinc/15/88/52/554158852.db2.gz ZOSBMVUQTYTLAQ-WGDIFIGCSA-N -1 1 539.613 5.532 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098048029 554158853 /nfs/dbraw/zinc/15/88/53/554158853.db2.gz ZOSBMVUQTYTLAQ-WGDIFIGCSA-N -1 1 539.613 5.532 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048037 554158934 /nfs/dbraw/zinc/15/89/34/554158934.db2.gz CJKLLEYDMYMOTL-LDLUVENISA-N -1 1 602.684 7.119 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048037 554158935 /nfs/dbraw/zinc/15/89/35/554158935.db2.gz CJKLLEYDMYMOTL-LDLUVENISA-N -1 1 602.684 7.119 50 30 KKEAMM N#Cc1ccccc1COC(=O)c1cc(-c2ccc(C=Cc3nn4cnnc4c([O-])c3[N+](=O)[O-])o2)ccc1Cl ZINC000100167805 554237733 /nfs/dbraw/zinc/23/77/33/554237733.db2.gz GCXXGAJAEUNEOE-RMKNXTFCSA-N -1 1 542.895 5.051 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000053253945 554330364 /nfs/dbraw/zinc/33/03/64/554330364.db2.gz WJGKQJPFFPNBJA-JOCHJYFZSA-N -1 1 578.599 5.183 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053291063 554331492 /nfs/dbraw/zinc/33/14/92/554331492.db2.gz ODVYKTCMUIHVJQ-JOCHJYFZSA-N -1 1 519.420 6.459 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053291520 554331994 /nfs/dbraw/zinc/33/19/94/554331994.db2.gz JAVADCPRQIVSAK-QFIPXVFZSA-N -1 1 552.630 5.565 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053306040 554333134 /nfs/dbraw/zinc/33/31/34/554333134.db2.gz WMCIQIAIJPBRHJ-HXUWFJFHSA-N -1 1 561.443 6.035 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053306124 554333644 /nfs/dbraw/zinc/33/36/44/554333644.db2.gz JOQZPHZXOWDGNA-JOCHJYFZSA-N -1 1 535.965 6.040 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053307239 554335016 /nfs/dbraw/zinc/33/50/16/554335016.db2.gz IJOZACUXVSQXAT-XMMPIXPASA-N -1 1 577.456 6.230 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053307239 554335018 /nfs/dbraw/zinc/33/50/18/554335018.db2.gz IJOZACUXVSQXAT-XMMPIXPASA-N -1 1 577.456 6.230 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000053307705 554335394 /nfs/dbraw/zinc/33/53/94/554335394.db2.gz LTIRHCYVDPAIGS-VWLOTQADSA-N -1 1 530.621 6.915 50 30 KKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053307871 554335416 /nfs/dbraw/zinc/33/54/16/554335416.db2.gz KCCBHIWAMRUWIT-JOCHJYFZSA-N -1 1 525.786 5.844 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053308199 554335932 /nfs/dbraw/zinc/33/59/32/554335932.db2.gz LONZMDPPOQOGLT-QFIPXVFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053308199 554335934 /nfs/dbraw/zinc/33/59/34/554335934.db2.gz LONZMDPPOQOGLT-QFIPXVFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053319165 554336151 /nfs/dbraw/zinc/33/61/51/554336151.db2.gz WCIAQGJKICSORI-NRFANRHFSA-N -1 1 539.382 5.989 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000053319156 554336341 /nfs/dbraw/zinc/33/63/41/554336341.db2.gz PZKZYYUYCQBUJR-JOCHJYFZSA-N -1 1 553.865 7.112 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053319170 554336377 /nfs/dbraw/zinc/33/63/77/554336377.db2.gz JEEJRBWSDIVTKI-OAQYLSRUSA-N -1 1 521.938 5.649 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053319191 554336637 /nfs/dbraw/zinc/33/66/37/554336637.db2.gz ORZVNHLWWSGQBV-HSZRJFAPSA-N -1 1 567.019 5.767 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053319253 554336808 /nfs/dbraw/zinc/33/68/08/554336808.db2.gz AITHIMCXEJSIMN-XMMPIXPASA-N -1 1 551.020 6.149 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053319225 554336843 /nfs/dbraw/zinc/33/68/43/554336843.db2.gz QVQNVIBWAAIUFD-OAQYLSRUSA-N -1 1 523.383 6.289 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000053319321 554337289 /nfs/dbraw/zinc/33/72/89/554337289.db2.gz GDUCWYFSNMPEPK-FQEVSTJZSA-N -1 1 527.346 6.120 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053319389 554337575 /nfs/dbraw/zinc/33/75/75/554337575.db2.gz DYVHNIKVZFYGBG-HSZRJFAPSA-N -1 1 565.445 6.249 50 30 KKEAMM CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053319389 554337571 /nfs/dbraw/zinc/33/75/71/554337571.db2.gz DYVHNIKVZFYGBG-HSZRJFAPSA-N -1 1 565.445 6.249 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4C)cc3)[C@@H]2c2cccc(Cl)c2)s1 ZINC000053319417 554337833 /nfs/dbraw/zinc/33/78/33/554337833.db2.gz UCJDMNGQYMTCJU-DEOSSOPVSA-N -1 1 532.021 6.170 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(Br)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053319497 554338296 /nfs/dbraw/zinc/33/82/96/554338296.db2.gz WYMGBXFWNASJBH-OAQYLSRUSA-N -1 1 584.289 6.913 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053319450 554338403 /nfs/dbraw/zinc/33/84/03/554338403.db2.gz OLAXROQSGULNRN-OAQYLSRUSA-N -1 1 573.454 6.201 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053331869 554338569 /nfs/dbraw/zinc/33/85/69/554338569.db2.gz PBCWJEKPUDEECZ-IBGZPJMESA-N -1 1 557.422 5.101 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000053332200 554339106 /nfs/dbraw/zinc/33/91/06/554339106.db2.gz MXWUXHVHVOHHSL-LMKMVOKYSA-N -1 1 531.033 6.673 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000053333565 554339422 /nfs/dbraw/zinc/33/94/22/554339422.db2.gz PZTKHLNGNIMOAY-QTEAWJPNSA-N -1 1 592.648 7.121 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000053333565 554339428 /nfs/dbraw/zinc/33/94/28/554339428.db2.gz PZTKHLNGNIMOAY-QTEAWJPNSA-N -1 1 592.648 7.121 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000053334028 554339677 /nfs/dbraw/zinc/33/96/77/554339677.db2.gz HAAWHQBQZDKXIF-MHZLTWQESA-N -1 1 588.638 5.656 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000053335467 554341175 /nfs/dbraw/zinc/34/11/75/554341175.db2.gz OKVZXFYPVNGTDX-JOCHJYFZSA-N -1 1 549.948 5.412 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053335985 554341454 /nfs/dbraw/zinc/34/14/54/554341454.db2.gz FPIFOBFPDCFIKZ-RUZDIDTESA-N -1 1 528.586 5.476 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000053336920 554341645 /nfs/dbraw/zinc/34/16/45/554341645.db2.gz HFRJFKWGJXPHIU-OAQYLSRUSA-N -1 1 583.460 5.657 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000053336644 554341886 /nfs/dbraw/zinc/34/18/86/554341886.db2.gz FSWZYYONRZLUSZ-CLYVBNDRSA-N -1 1 538.625 6.276 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2Cl)no1 ZINC000053337292 554342050 /nfs/dbraw/zinc/34/20/50/554342050.db2.gz VJYIEZPXDWIQCA-FQEVSTJZSA-N -1 1 550.236 6.824 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053337329 554342098 /nfs/dbraw/zinc/34/20/98/554342098.db2.gz ZRAXQZDUBVCINB-MHZLTWQESA-N -1 1 591.085 6.929 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000053337650 554342304 /nfs/dbraw/zinc/34/23/04/554342304.db2.gz XJXDKTXKUQDRQU-LJAQVGFWSA-N -1 1 576.630 6.951 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053337778 554342419 /nfs/dbraw/zinc/34/24/19/554342419.db2.gz RMGZZLLWMXSHGH-DEOSSOPVSA-N -1 1 583.449 6.556 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053338752 554342675 /nfs/dbraw/zinc/34/26/75/554342675.db2.gz MUKGMENDVJIWHM-OAQYLSRUSA-N -1 1 583.460 5.657 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053338706 554342728 /nfs/dbraw/zinc/34/27/28/554342728.db2.gz TUCLUXDKWNPQBZ-XDBZFTIUSA-N -1 1 589.113 7.481 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053338706 554342731 /nfs/dbraw/zinc/34/27/31/554342731.db2.gz TUCLUXDKWNPQBZ-XDBZFTIUSA-N -1 1 589.113 7.481 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053338758 554342815 /nfs/dbraw/zinc/34/28/15/554342815.db2.gz MUKGMENDVJIWHM-NRFANRHFSA-N -1 1 583.460 5.657 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053338528 554342868 /nfs/dbraw/zinc/34/28/68/554342868.db2.gz SZADKFGJAVWAFH-MHZLTWQESA-N -1 1 570.667 6.547 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053338402 554342880 /nfs/dbraw/zinc/34/28/80/554342880.db2.gz WVPFLNXEWPLLEQ-HSZRJFAPSA-N -1 1 563.429 5.921 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053338402 554342884 /nfs/dbraw/zinc/34/28/84/554342884.db2.gz WVPFLNXEWPLLEQ-HSZRJFAPSA-N -1 1 563.429 5.921 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000053338969 554343238 /nfs/dbraw/zinc/34/32/38/554343238.db2.gz KFSUTYYSYOISJL-LMKMVOKYSA-N -1 1 546.645 5.939 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053339403 554343618 /nfs/dbraw/zinc/34/36/18/554343618.db2.gz RTPPTMPQGQICNF-HSZRJFAPSA-N -1 1 548.617 5.306 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053339403 554343615 /nfs/dbraw/zinc/34/36/15/554343615.db2.gz RTPPTMPQGQICNF-HSZRJFAPSA-N -1 1 548.617 5.306 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000053340290 554344245 /nfs/dbraw/zinc/34/42/45/554344245.db2.gz IXSISSNTAQFWNN-DEOSSOPVSA-N -1 1 533.005 6.121 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000053340290 554344247 /nfs/dbraw/zinc/34/42/47/554344247.db2.gz IXSISSNTAQFWNN-DEOSSOPVSA-N -1 1 533.005 6.121 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccccc2)cc1 ZINC000100675283 554443311 /nfs/dbraw/zinc/44/33/11/554443311.db2.gz JKRRAKCOZFODSC-XMMPIXPASA-N -1 1 548.661 6.226 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000100674856 554443375 /nfs/dbraw/zinc/44/33/75/554443375.db2.gz GSWPFYGUFUCTIN-DEOSSOPVSA-N -1 1 566.651 6.365 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000100675299 554443603 /nfs/dbraw/zinc/44/36/03/554443603.db2.gz CCDDFJHGEINEFS-SANMLTNESA-N -1 1 592.714 6.625 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000100677275 554444239 /nfs/dbraw/zinc/44/42/39/554444239.db2.gz YYHOOJPYSFQXOZ-VWLOTQADSA-N -1 1 578.687 6.379 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100677250 554444282 /nfs/dbraw/zinc/44/42/82/554444282.db2.gz VZBJISYNXUODGK-XMMPIXPASA-N -1 1 582.650 6.046 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000100677331 554444694 /nfs/dbraw/zinc/44/46/94/554444694.db2.gz VAJBLVZBNBVMHC-QHCPKHFHSA-N -1 1 534.609 6.148 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000100677331 554444696 /nfs/dbraw/zinc/44/46/96/554444696.db2.gz VAJBLVZBNBVMHC-QHCPKHFHSA-N -1 1 534.609 6.148 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC)c(OCC)c2)cc1 ZINC000100677311 554444748 /nfs/dbraw/zinc/44/47/48/554444748.db2.gz NRJYWDYVPNQINZ-SANMLTNESA-N -1 1 608.713 6.387 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100677320 554444751 /nfs/dbraw/zinc/44/47/51/554444751.db2.gz PZSDRSUZAMPJOF-QHCPKHFHSA-N -1 1 548.636 6.322 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000100677320 554444753 /nfs/dbraw/zinc/44/47/53/554444753.db2.gz PZSDRSUZAMPJOF-QHCPKHFHSA-N -1 1 548.636 6.322 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100678918 554445382 /nfs/dbraw/zinc/44/53/82/554445382.db2.gz DGOZZONNNNBVAX-JOCHJYFZSA-N -1 1 552.580 5.042 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000100679922 554445697 /nfs/dbraw/zinc/44/56/97/554445697.db2.gz IORQQTLUINFXBR-AREMUKBSSA-N -1 1 592.714 6.769 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000100679916 554445703 /nfs/dbraw/zinc/44/57/03/554445703.db2.gz XBGZXHBSSUTPJL-VWLOTQADSA-N -1 1 594.686 5.997 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCC=C)cc2)nc1C ZINC000100680024 554446210 /nfs/dbraw/zinc/44/62/10/554446210.db2.gz SSEGVPCWDHCFGX-SANMLTNESA-N -1 1 588.682 6.321 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000100680309 554446327 /nfs/dbraw/zinc/44/63/27/554446327.db2.gz LJAXNBAQJPPBRF-HSZRJFAPSA-N -1 1 567.063 6.410 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000100680383 554446503 /nfs/dbraw/zinc/44/65/03/554446503.db2.gz APGGWDQYHBHVIS-VWLOTQADSA-N -1 1 622.696 5.782 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCC=C)c(OC)c2)nc1C ZINC000100680386 554446543 /nfs/dbraw/zinc/44/65/43/554446543.db2.gz SXRQZGROTVDUCY-MHZLTWQESA-N -1 1 618.708 6.330 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000100680981 554446735 /nfs/dbraw/zinc/44/67/35/554446735.db2.gz CPFBUAZHAKTDQY-QHCPKHFHSA-N -1 1 550.633 5.599 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000100680994 554446810 /nfs/dbraw/zinc/44/68/10/554446810.db2.gz QKAMEWXTXKWXST-IBGZPJMESA-N -1 1 559.413 5.621 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000100680393 554446872 /nfs/dbraw/zinc/44/68/72/554446872.db2.gz UCVDXBWRNDVTLI-XMMPIXPASA-N -1 1 562.644 5.765 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000100681107 554447192 /nfs/dbraw/zinc/44/71/92/554447192.db2.gz UTYNMPUDOPFQRZ-MHZLTWQESA-N -1 1 598.677 6.992 50 30 KKEAMM CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100681075 554447234 /nfs/dbraw/zinc/44/72/34/554447234.db2.gz CNXJNVFZKQZUSS-MUUNZHRXSA-N -1 1 636.767 7.168 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000100681095 554447245 /nfs/dbraw/zinc/44/72/45/554447245.db2.gz GGUHJXNZORSMFN-XMMPIXPASA-N -1 1 562.688 6.497 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000101069837 554574300 /nfs/dbraw/zinc/57/43/00/554574300.db2.gz UPPYWGYVLUBTMO-JBCNATCCSA-N -1 1 523.383 6.133 50 30 KKEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069802 554574324 /nfs/dbraw/zinc/57/43/24/554574324.db2.gz SJRVUQOZJUOZDX-MOBKVPTQSA-N -1 1 510.771 5.931 50 30 KKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069809 554574332 /nfs/dbraw/zinc/57/43/32/554574332.db2.gz YJHVONARFVQHAW-HOGKFDNTSA-N -1 1 525.786 5.687 50 30 KKEAMM O=C1C(=O)N(c2cccc(Br)c2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101069931 554574620 /nfs/dbraw/zinc/57/46/20/554574620.db2.gz VNSDGVMOAWJQTL-NHFXJNLRSA-N -1 1 513.185 5.838 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069931 554574621 /nfs/dbraw/zinc/57/46/21/554574621.db2.gz VNSDGVMOAWJQTL-NHFXJNLRSA-N -1 1 513.185 5.838 50 30 KKEAMM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101069911 554574641 /nfs/dbraw/zinc/57/46/41/554574641.db2.gz JRBRXFPHOKSFLY-NHFXJNLRSA-N -1 1 513.185 5.838 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069911 554574642 /nfs/dbraw/zinc/57/46/42/554574642.db2.gz JRBRXFPHOKSFLY-NHFXJNLRSA-N -1 1 513.185 5.838 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000101072619 554576224 /nfs/dbraw/zinc/57/62/24/554576224.db2.gz CYDMLNFRBCLYPJ-NHFXJNLRSA-N -1 1 592.081 6.600 50 30 KKEAMM CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000101072962 554576562 /nfs/dbraw/zinc/57/65/62/554576562.db2.gz UKCVADHUNBKUIP-NHFXJNLRSA-N -1 1 560.242 6.123 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000101095604 554584453 /nfs/dbraw/zinc/58/44/53/554584453.db2.gz DEBLTMZBYLFYNN-NHFXJNLRSA-N -1 1 509.356 5.824 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000101276762 554702959 /nfs/dbraw/zinc/70/29/59/554702959.db2.gz CAZODXHWYGAACF-TXTDGAROSA-N -1 1 594.689 6.616 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000101277297 554703504 /nfs/dbraw/zinc/70/35/04/554703504.db2.gz OUDMSEHDFGOIQX-TXTDGAROSA-N -1 1 626.687 6.022 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000101277893 554704250 /nfs/dbraw/zinc/70/42/50/554704250.db2.gz DJZJPEFDAIQGNM-JBCNATCCSA-N -1 1 539.009 5.391 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277735 554704288 /nfs/dbraw/zinc/70/42/88/554704288.db2.gz RLGDCJMKYZHUEJ-NEMSTITPSA-N -1 1 558.656 5.867 50 30 KKEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4ccc(F)cc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101286491 554705959 /nfs/dbraw/zinc/70/59/59/554705959.db2.gz UNBMOKVZSOREKO-OAQYLSRUSA-N -1 1 526.033 6.064 50 30 KKEAMM COc1cccc([C@@H]2c3c(=O)[n-]c(SCc4ccc(F)cc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101286489 554705995 /nfs/dbraw/zinc/70/59/95/554705995.db2.gz UNBMOKVZSOREKO-NRFANRHFSA-N -1 1 526.033 6.064 50 30 KKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000101288285 554706632 /nfs/dbraw/zinc/70/66/32/554706632.db2.gz KGCGRCQXGYZFHS-HOGKFDNTSA-N -1 1 518.591 5.128 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000101288285 554706635 /nfs/dbraw/zinc/70/66/35/554706635.db2.gz KGCGRCQXGYZFHS-HOGKFDNTSA-N -1 1 518.591 5.128 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[n-]c(=O)c1[C@H]2c1ccc(Cl)cc1Cl ZINC000101292557 554709159 /nfs/dbraw/zinc/70/91/59/554709159.db2.gz LXVRVYJDRLGNOV-FQEVSTJZSA-N -1 1 546.907 7.223 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101293981 554710258 /nfs/dbraw/zinc/71/02/58/554710258.db2.gz QAGIMRTVJNGESB-NXLSWJSLSA-N -1 1 500.551 5.935 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101293981 554710261 /nfs/dbraw/zinc/71/02/61/554710261.db2.gz QAGIMRTVJNGESB-NXLSWJSLSA-N -1 1 500.551 5.935 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101294247 554710973 /nfs/dbraw/zinc/71/09/73/554710973.db2.gz MZFYKDGBAYVSFI-UJWLLDLUSA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101294247 554710975 /nfs/dbraw/zinc/71/09/75/554710975.db2.gz MZFYKDGBAYVSFI-UJWLLDLUSA-N -1 1 542.588 5.950 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310239 554717287 /nfs/dbraw/zinc/71/72/87/554717287.db2.gz DCHFWOOTLYCADW-HTUFKCTLSA-N -1 1 574.655 5.567 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310239 554717290 /nfs/dbraw/zinc/71/72/90/554717290.db2.gz DCHFWOOTLYCADW-HTUFKCTLSA-N -1 1 574.655 5.567 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310431 554718140 /nfs/dbraw/zinc/71/81/40/554718140.db2.gz WCRQFNUAPCZIIH-WGGXKBPPSA-N -1 1 614.676 6.056 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310431 554718142 /nfs/dbraw/zinc/71/81/42/554718142.db2.gz WCRQFNUAPCZIIH-WGGXKBPPSA-N -1 1 614.676 6.056 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313376 554721866 /nfs/dbraw/zinc/72/18/66/554721866.db2.gz RHZWNBUVTBSJLJ-NXLSWJSLSA-N -1 1 500.551 5.935 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313701 554722205 /nfs/dbraw/zinc/72/22/05/554722205.db2.gz DSCIFORAMALDTG-YMMFOPJESA-N -1 1 560.628 5.143 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313701 554722207 /nfs/dbraw/zinc/72/22/07/554722207.db2.gz DSCIFORAMALDTG-YMMFOPJESA-N -1 1 560.628 5.143 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC=C)c2)nc1C ZINC000101316433 554723716 /nfs/dbraw/zinc/72/37/16/554723716.db2.gz FOVUMZIZTFEANM-IIHDFJPDSA-N -1 1 572.639 5.309 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC=C)c2)nc1C ZINC000101316433 554723717 /nfs/dbraw/zinc/72/37/17/554723717.db2.gz FOVUMZIZTFEANM-IIHDFJPDSA-N -1 1 572.639 5.309 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000101316818 554723854 /nfs/dbraw/zinc/72/38/54/554723854.db2.gz LREGSNNFTZKAQQ-ONQGDUAMSA-N -1 1 613.717 6.101 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000101338297 554735069 /nfs/dbraw/zinc/73/50/69/554735069.db2.gz XIUZOTVCNRUJEB-MUUNZHRXSA-N -1 1 609.704 7.853 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000101344376 554736761 /nfs/dbraw/zinc/73/67/61/554736761.db2.gz YGYWGDHMQINBPQ-SANMLTNESA-N -1 1 612.664 7.122 50 30 KKEAMM CCc1ccc([C@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000101344599 554736813 /nfs/dbraw/zinc/73/68/13/554736813.db2.gz NAVPZQSWSJNTBC-VWLOTQADSA-N -1 1 610.786 7.608 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000101344599 554736817 /nfs/dbraw/zinc/73/68/17/554736817.db2.gz NAVPZQSWSJNTBC-VWLOTQADSA-N -1 1 610.786 7.608 50 30 KKEAMM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccc(OCc4ccccc4)cc3)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000101416356 554765335 /nfs/dbraw/zinc/76/53/35/554765335.db2.gz XWPHYVWAEJBKBW-ZHSUKTGHSA-N -1 1 607.471 6.420 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076591 554874814 /nfs/dbraw/zinc/87/48/14/554874814.db2.gz RAEKSADRALQULQ-FPRSLYQBSA-N -1 1 589.113 7.324 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076591 554874815 /nfs/dbraw/zinc/87/48/15/554874815.db2.gz RAEKSADRALQULQ-FPRSLYQBSA-N -1 1 589.113 7.324 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102078887 554875541 /nfs/dbraw/zinc/87/55/41/554875541.db2.gz IQDFFUDBVHJKCP-ZHJYXLETSA-N -1 1 627.788 7.205 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102483871 554937569 /nfs/dbraw/zinc/93/75/69/554937569.db2.gz TZGDNQCBXKYFOK-ZHHPLPSFSA-N -1 1 531.546 5.238 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102483856 554937650 /nfs/dbraw/zinc/93/76/50/554937650.db2.gz SOYUDVXGWWMOBB-MOBKVPTQSA-N -1 1 504.633 6.290 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102492704 554939644 /nfs/dbraw/zinc/93/96/44/554939644.db2.gz YBQVQYLVYJCDLL-WOOAAIBNSA-N -1 1 501.347 5.831 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102493816 554939942 /nfs/dbraw/zinc/93/99/42/554939942.db2.gz RYDSOYNSHYUJCO-MOBKVPTQSA-N -1 1 535.419 6.002 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102493816 554939946 /nfs/dbraw/zinc/93/99/46/554939946.db2.gz RYDSOYNSHYUJCO-MOBKVPTQSA-N -1 1 535.419 6.002 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102494423 554940057 /nfs/dbraw/zinc/94/00/57/554940057.db2.gz JLNDGDZSZCFNMI-MOBKVPTQSA-N -1 1 553.409 6.223 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102502551 554943778 /nfs/dbraw/zinc/94/37/78/554943778.db2.gz PQIDZPZJRUINRS-MOBKVPTQSA-N -1 1 555.052 6.004 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102506287 554944546 /nfs/dbraw/zinc/94/45/46/554944546.db2.gz SVUVZNLURIASHK-MRJHHRETSA-N -1 1 555.837 6.347 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102510964 554946207 /nfs/dbraw/zinc/94/62/07/554946207.db2.gz BZXXGZRQFHNXQU-IUKMQXEJSA-N -1 1 516.594 6.584 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102511074 554946317 /nfs/dbraw/zinc/94/63/17/554946317.db2.gz SIWCFDGZEIPOHC-ZHHPLPSFSA-N -1 1 504.539 5.469 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102511584 554946509 /nfs/dbraw/zinc/94/65/09/554946509.db2.gz UQWUGRQCZKVAHF-AYWGPLOBSA-N -1 1 514.559 5.026 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102512476 554946711 /nfs/dbraw/zinc/94/67/11/554946711.db2.gz YMZPRRQSUGVFFL-ZHHPLPSFSA-N -1 1 520.994 5.983 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102513483 554947036 /nfs/dbraw/zinc/94/70/36/554947036.db2.gz JUGUHHYKGFZWMS-YDJIHCHBSA-N -1 1 526.998 5.225 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102514864 554947551 /nfs/dbraw/zinc/94/75/51/554947551.db2.gz BAXWSKAJUAIAGB-JBCNATCCSA-N -1 1 521.938 5.493 50 30 KKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1 ZINC000102515884 554947869 /nfs/dbraw/zinc/94/78/69/554947869.db2.gz ITCVHJMQILTQIH-COUQNMRISA-N -1 1 504.995 6.201 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102518127 554948768 /nfs/dbraw/zinc/94/87/68/554948768.db2.gz OJMOWWZMOLRRJF-NPJIAGGLSA-N -1 1 528.630 6.237 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102518447 554948953 /nfs/dbraw/zinc/94/89/53/554948953.db2.gz WMQGRYQVOACUQP-ONQGDUAMSA-N -1 1 614.676 5.856 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000102518447 554948956 /nfs/dbraw/zinc/94/89/56/554948956.db2.gz WMQGRYQVOACUQP-ONQGDUAMSA-N -1 1 614.676 5.856 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102525775 554951840 /nfs/dbraw/zinc/95/18/40/554951840.db2.gz LTKAENCPUTVORT-WOOAAIBNSA-N -1 1 501.416 6.599 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102526190 554951928 /nfs/dbraw/zinc/95/19/28/554951928.db2.gz SPPCKRLCKHVVIX-HOGKFDNTSA-N -1 1 535.419 6.002 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102526190 554951930 /nfs/dbraw/zinc/95/19/30/554951930.db2.gz SPPCKRLCKHVVIX-HOGKFDNTSA-N -1 1 535.419 6.002 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102531194 554953928 /nfs/dbraw/zinc/95/39/28/554953928.db2.gz YKNXEQHURLVANE-SBXHHDGASA-N -1 1 502.592 6.346 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102531194 554953929 /nfs/dbraw/zinc/95/39/29/554953929.db2.gz YKNXEQHURLVANE-SBXHHDGASA-N -1 1 502.592 6.346 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102531522 554954070 /nfs/dbraw/zinc/95/40/70/554954070.db2.gz POGGZIIQASDNEN-NXLSWJSLSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102531522 554954072 /nfs/dbraw/zinc/95/40/72/554954072.db2.gz POGGZIIQASDNEN-NXLSWJSLSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccccc2)nc1C ZINC000102535249 554955330 /nfs/dbraw/zinc/95/53/30/554955330.db2.gz HUZMCFJHUIYIAF-CZNAVJSXSA-N -1 1 568.651 6.142 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccccc2)nc1C ZINC000102535249 554955331 /nfs/dbraw/zinc/95/53/31/554955331.db2.gz HUZMCFJHUIYIAF-CZNAVJSXSA-N -1 1 568.651 6.142 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102539226 554956899 /nfs/dbraw/zinc/95/68/99/554956899.db2.gz MWFGSGPXLUIKNB-HOGKFDNTSA-N -1 1 535.419 6.002 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102539226 554956901 /nfs/dbraw/zinc/95/69/01/554956901.db2.gz MWFGSGPXLUIKNB-HOGKFDNTSA-N -1 1 535.419 6.002 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102543411 554958152 /nfs/dbraw/zinc/95/81/52/554958152.db2.gz YLISPRCIUZJYFG-AYWGPLOBSA-N -1 1 506.530 5.990 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccnc2)o1 ZINC000102545152 554958725 /nfs/dbraw/zinc/95/87/25/554958725.db2.gz KWZLMAJOFFYXMX-YDJIHCHBSA-N -1 1 504.593 5.062 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000102545649 554959069 /nfs/dbraw/zinc/95/90/69/554959069.db2.gz GNNFARCFDRFMIP-ZTLVYLBESA-N -1 1 575.484 6.625 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000102548631 554960550 /nfs/dbraw/zinc/96/05/50/554960550.db2.gz QDJLITPFNHGVSS-RFRSNRLQSA-N -1 1 614.720 6.744 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102553038 554963192 /nfs/dbraw/zinc/96/31/92/554963192.db2.gz LFCUWFMYFYHXCH-TXTDGAROSA-N -1 1 586.666 6.271 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102553038 554963194 /nfs/dbraw/zinc/96/31/94/554963194.db2.gz LFCUWFMYFYHXCH-TXTDGAROSA-N -1 1 586.666 6.271 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102556898 554964964 /nfs/dbraw/zinc/96/49/64/554964964.db2.gz GBQQPLJVFAPVAL-NPJIAGGLSA-N -1 1 514.603 5.892 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000102559075 554966399 /nfs/dbraw/zinc/96/63/99/554966399.db2.gz KZJNLWQAQIJUTQ-SBXHHDGASA-N -1 1 542.573 5.268 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102559861 554967101 /nfs/dbraw/zinc/96/71/01/554967101.db2.gz QPEWYZOUVUHSST-SBXHHDGASA-N -1 1 565.003 5.364 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000102560592 554968008 /nfs/dbraw/zinc/96/80/08/554968008.db2.gz ZHRRITAEDLOUBC-CDMMYUFDSA-N -1 1 622.674 6.973 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000102560592 554968012 /nfs/dbraw/zinc/96/80/12/554968012.db2.gz ZHRRITAEDLOUBC-CDMMYUFDSA-N -1 1 622.674 6.973 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102562762 554968571 /nfs/dbraw/zinc/96/85/71/554968571.db2.gz KUWBIPVPBQHEKA-WBMUNJTESA-N -1 1 512.587 5.563 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102567727 554970129 /nfs/dbraw/zinc/97/01/29/554970129.db2.gz HVTOXUZYSRLQCF-WRPQUVRJSA-N -1 1 577.634 6.058 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102569643 554970227 /nfs/dbraw/zinc/97/02/27/554970227.db2.gz AVHYVSJRHSXRKN-CWMDRHISSA-N -1 1 574.630 6.183 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102569643 554970230 /nfs/dbraw/zinc/97/02/30/554970230.db2.gz AVHYVSJRHSXRKN-CWMDRHISSA-N -1 1 574.630 6.183 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102568937 554970298 /nfs/dbraw/zinc/97/02/98/554970298.db2.gz NJBLRTBZKKKBCY-XTUFCYCQSA-N -1 1 570.667 6.434 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(O)c2)s1 ZINC000102584107 554972860 /nfs/dbraw/zinc/97/28/60/554972860.db2.gz SZFWHPDKXNZWNQ-NXLSWJSLSA-N -1 1 513.575 5.066 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102586138 554973338 /nfs/dbraw/zinc/97/33/38/554973338.db2.gz JVEIDLADPWFWMF-LLAWDOGUSA-N -1 1 558.631 6.564 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102586138 554973341 /nfs/dbraw/zinc/97/33/41/554973341.db2.gz JVEIDLADPWFWMF-LLAWDOGUSA-N -1 1 558.631 6.564 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000102588432 554973571 /nfs/dbraw/zinc/97/35/71/554973571.db2.gz RZMFZJNXDCJEBC-MOBKVPTQSA-N -1 1 528.439 5.257 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102595817 554976862 /nfs/dbraw/zinc/97/68/62/554976862.db2.gz BPUMWOLFMXIFCF-VEZPTTSMSA-N -1 1 614.720 6.826 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102602700 554977965 /nfs/dbraw/zinc/97/79/65/554977965.db2.gz IHAFYXDHGXPMTC-WRPQUVRJSA-N -1 1 592.098 6.139 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606128 554978729 /nfs/dbraw/zinc/97/87/29/554978729.db2.gz WDJFNRFVGKJLCP-IZHWHUGBSA-N -1 1 535.622 5.140 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606128 554978733 /nfs/dbraw/zinc/97/87/33/554978733.db2.gz WDJFNRFVGKJLCP-IZHWHUGBSA-N -1 1 535.622 5.140 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606133 554978832 /nfs/dbraw/zinc/97/88/32/554978832.db2.gz WDJFNRFVGKJLCP-OYLFLEFRSA-N -1 1 535.622 5.140 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606133 554978833 /nfs/dbraw/zinc/97/88/33/554978833.db2.gz WDJFNRFVGKJLCP-OYLFLEFRSA-N -1 1 535.622 5.140 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000102606114 554978846 /nfs/dbraw/zinc/97/88/46/554978846.db2.gz VQCABXWELQQNRA-IVCQMTBJSA-N -1 1 549.649 5.386 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102607253 554979814 /nfs/dbraw/zinc/97/98/14/554979814.db2.gz NPUMQXUHTMQXFS-AYWGPLOBSA-N -1 1 596.061 6.020 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102607135 554979874 /nfs/dbraw/zinc/97/98/74/554979874.db2.gz UEVGFXUCYAUHFM-ZHHPLPSFSA-N -1 1 579.606 5.506 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102610475 554980762 /nfs/dbraw/zinc/98/07/62/554980762.db2.gz BSFPEMHCEMBYLB-ONQGDUAMSA-N -1 1 615.733 6.325 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102617073 554984528 /nfs/dbraw/zinc/98/45/28/554984528.db2.gz NLEDXEDYSGBOAT-GMBUILNLSA-N -1 1 543.557 5.163 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000102617553 554984797 /nfs/dbraw/zinc/98/47/97/554984797.db2.gz SGRFFHXBPPMVAC-AYWGPLOBSA-N -1 1 579.606 5.506 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000102617202 554984826 /nfs/dbraw/zinc/98/48/26/554984826.db2.gz IKSNEODYSOWWSJ-IBGZPJMESA-N -1 1 531.417 6.026 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000102624232 554987754 /nfs/dbraw/zinc/98/77/54/554987754.db2.gz YWBSVIGSQZSVEN-YDJIHCHBSA-N -1 1 513.384 5.148 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102650942 554995671 /nfs/dbraw/zinc/99/56/71/554995671.db2.gz LLRCBKKAZMGIJC-KLNYLHOZSA-N -1 1 565.478 7.170 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102650942 554995672 /nfs/dbraw/zinc/99/56/72/554995672.db2.gz LLRCBKKAZMGIJC-KLNYLHOZSA-N -1 1 565.478 7.170 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102651648 554996104 /nfs/dbraw/zinc/99/61/04/554996104.db2.gz LVOZOFLAAJFTJN-QNIVJUIWSA-N -1 1 589.670 5.928 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102651560 554996180 /nfs/dbraw/zinc/99/61/80/554996180.db2.gz CHIANQSMUNBYCC-AYWGPLOBSA-N -1 1 548.617 5.149 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102651560 554996182 /nfs/dbraw/zinc/99/61/82/554996182.db2.gz CHIANQSMUNBYCC-AYWGPLOBSA-N -1 1 548.617 5.149 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102651494 554996199 /nfs/dbraw/zinc/99/61/99/554996199.db2.gz ZVUXVOHNCRCTPF-FZIYRNTBSA-N -1 1 596.661 5.767 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102651494 554996200 /nfs/dbraw/zinc/99/62/00/554996200.db2.gz ZVUXVOHNCRCTPF-FZIYRNTBSA-N -1 1 596.661 5.767 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102652508 554996819 /nfs/dbraw/zinc/99/68/19/554996819.db2.gz XXCKYHABQAHDNN-JDSQIOQSSA-N -1 1 586.666 6.052 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102652563 554996941 /nfs/dbraw/zinc/99/69/41/554996941.db2.gz MYUVHRGEGQOLGL-VZHVMDKCSA-N -1 1 572.639 5.662 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102652563 554996942 /nfs/dbraw/zinc/99/69/42/554996942.db2.gz MYUVHRGEGQOLGL-VZHVMDKCSA-N -1 1 572.639 5.662 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102654411 554997649 /nfs/dbraw/zinc/99/76/49/554997649.db2.gz VRLDWSOIKRNOGX-IIHDFJPDSA-N -1 1 576.671 5.757 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102654411 554997651 /nfs/dbraw/zinc/99/76/51/554997651.db2.gz VRLDWSOIKRNOGX-IIHDFJPDSA-N -1 1 576.671 5.757 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102654288 554997728 /nfs/dbraw/zinc/99/77/28/554997728.db2.gz UQZUJGLXYBHBSH-ROBPHKHBSA-N -1 1 540.641 6.343 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102654825 554998102 /nfs/dbraw/zinc/99/81/02/554998102.db2.gz AUDFNXBJNCCLCH-ROBPHKHBSA-N -1 1 554.624 5.680 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102654825 554998103 /nfs/dbraw/zinc/99/81/03/554998103.db2.gz AUDFNXBJNCCLCH-ROBPHKHBSA-N -1 1 554.624 5.680 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102655533 554998284 /nfs/dbraw/zinc/99/82/84/554998284.db2.gz PAABTJQOSWTHBD-JRPVAJNPSA-N -1 1 530.577 5.784 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102655533 554998285 /nfs/dbraw/zinc/99/82/85/554998285.db2.gz PAABTJQOSWTHBD-JRPVAJNPSA-N -1 1 530.577 5.784 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102655721 554998697 /nfs/dbraw/zinc/99/86/97/554998697.db2.gz LOTMYGWIBBGJJT-ROBPHKHBSA-N -1 1 620.724 6.156 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102655721 554998699 /nfs/dbraw/zinc/99/86/99/554998699.db2.gz LOTMYGWIBBGJJT-ROBPHKHBSA-N -1 1 620.724 6.156 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102656068 554999030 /nfs/dbraw/zinc/99/90/30/554999030.db2.gz KPTNLZOWTILMRI-JNYBUSFRSA-N -1 1 612.748 7.522 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102660072 555000070 /nfs/dbraw/zinc/00/00/70/555000070.db2.gz JNLZAFHFFATULK-GRBPGWBESA-N -1 1 578.621 7.177 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102660072 555000072 /nfs/dbraw/zinc/00/00/72/555000072.db2.gz JNLZAFHFFATULK-GRBPGWBESA-N -1 1 578.621 7.177 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102667817 555001960 /nfs/dbraw/zinc/00/19/60/555001960.db2.gz LFRPZBAZTLZEQP-IOUQRVAPSA-N -1 1 524.598 5.672 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102667817 555001963 /nfs/dbraw/zinc/00/19/63/555001963.db2.gz LFRPZBAZTLZEQP-IOUQRVAPSA-N -1 1 524.598 5.672 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102667815 555002007 /nfs/dbraw/zinc/00/20/07/555002007.db2.gz LFRPZBAZTLZEQP-PLWHFILJSA-N -1 1 524.598 5.672 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102667815 555002009 /nfs/dbraw/zinc/00/20/09/555002009.db2.gz LFRPZBAZTLZEQP-PLWHFILJSA-N -1 1 524.598 5.672 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102671673 555002642 /nfs/dbraw/zinc/00/26/42/555002642.db2.gz MVHKTIMSHCQZAQ-SBXHHDGASA-N -1 1 514.559 5.011 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102671207 555002698 /nfs/dbraw/zinc/00/26/98/555002698.db2.gz IGHWROWUBAYKIH-BBHOXHGRSA-N -1 1 594.089 6.573 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102679216 555004724 /nfs/dbraw/zinc/00/47/24/555004724.db2.gz MPHNXZIRBAMDLZ-BBHOXHGRSA-N -1 1 575.643 5.625 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102690808 555008300 /nfs/dbraw/zinc/00/83/00/555008300.db2.gz ROWMWAGHLLXMKI-NXLSWJSLSA-N -1 1 500.576 5.557 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102694744 555009759 /nfs/dbraw/zinc/00/97/59/555009759.db2.gz GOXAHPOBMJHFLU-ZHHPLPSFSA-N -1 1 500.576 5.502 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102694905 555010066 /nfs/dbraw/zinc/01/00/66/555010066.db2.gz GDLVRPWBXQBPCI-NXLSWJSLSA-N -1 1 500.576 5.557 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102696397 555011374 /nfs/dbraw/zinc/01/13/74/555011374.db2.gz RBWMYRXTKFAPFL-ZHHPLPSFSA-N -1 1 531.546 5.156 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102697296 555011942 /nfs/dbraw/zinc/01/19/42/555011942.db2.gz XJFSBFPJDJNQQW-NXLSWJSLSA-N -1 1 500.576 5.502 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102703993 555013677 /nfs/dbraw/zinc/01/36/77/555013677.db2.gz KUVWYRQWAOOGOS-HOGKFDNTSA-N -1 1 519.420 6.248 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102704416 555013892 /nfs/dbraw/zinc/01/38/92/555013892.db2.gz ZEMCOQGAIBXAPQ-ZZIWUOEGSA-N -1 1 529.574 5.765 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102704820 555013907 /nfs/dbraw/zinc/01/39/07/555013907.db2.gz LXHVODBMABOQCW-MOBKVPTQSA-N -1 1 520.563 5.104 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102705118 555014390 /nfs/dbraw/zinc/01/43/90/555014390.db2.gz OITIKPXFWDJUST-AYWGPLOBSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102705118 555014392 /nfs/dbraw/zinc/01/43/92/555014392.db2.gz OITIKPXFWDJUST-AYWGPLOBSA-N -1 1 504.539 5.387 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102705898 555014617 /nfs/dbraw/zinc/01/46/17/555014617.db2.gz UHRJBBSIJJQEGO-IUKMQXEJSA-N -1 1 514.603 5.811 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102706332 555014840 /nfs/dbraw/zinc/01/48/40/555014840.db2.gz CTIOSKPQSDBKAD-MOBKVPTQSA-N -1 1 506.605 5.564 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102706332 555014842 /nfs/dbraw/zinc/01/48/42/555014842.db2.gz CTIOSKPQSDBKAD-MOBKVPTQSA-N -1 1 506.605 5.564 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102707176 555015387 /nfs/dbraw/zinc/01/53/87/555015387.db2.gz AQEGPGJVAWDOAI-NXLSWJSLSA-N -1 1 529.574 5.792 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102707176 555015389 /nfs/dbraw/zinc/01/53/89/555015389.db2.gz AQEGPGJVAWDOAI-NXLSWJSLSA-N -1 1 529.574 5.792 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102715702 555018554 /nfs/dbraw/zinc/01/85/54/555018554.db2.gz GJBCNQCUDZVPOI-GAPOMRBKSA-N -1 1 544.629 5.874 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102722335 555020449 /nfs/dbraw/zinc/02/04/49/555020449.db2.gz DFFCKWVSRSPBNC-HOGKFDNTSA-N -1 1 519.966 6.047 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102726469 555021918 /nfs/dbraw/zinc/02/19/18/555021918.db2.gz UWFSWKFZGSEZNA-MOBKVPTQSA-N -1 1 503.511 5.532 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102727690 555022539 /nfs/dbraw/zinc/02/25/39/555022539.db2.gz JCTBQMDBVHJQSJ-AYWGPLOBSA-N -1 1 533.447 6.556 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102729453 555023306 /nfs/dbraw/zinc/02/33/06/555023306.db2.gz NODVEEIKIVPJBY-AYWGPLOBSA-N -1 1 504.995 6.147 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102729453 555023308 /nfs/dbraw/zinc/02/33/08/555023308.db2.gz NODVEEIKIVPJBY-AYWGPLOBSA-N -1 1 504.995 6.147 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102731875 555023710 /nfs/dbraw/zinc/02/37/10/555023710.db2.gz KAVJATZPLSEQKC-AYWGPLOBSA-N -1 1 520.994 5.902 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102731875 555023712 /nfs/dbraw/zinc/02/37/12/555023712.db2.gz KAVJATZPLSEQKC-AYWGPLOBSA-N -1 1 520.994 5.902 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102731879 555023762 /nfs/dbraw/zinc/02/37/62/555023762.db2.gz KAVJATZPLSEQKC-ZHHPLPSFSA-N -1 1 520.994 5.902 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102731879 555023764 /nfs/dbraw/zinc/02/37/64/555023764.db2.gz KAVJATZPLSEQKC-ZHHPLPSFSA-N -1 1 520.994 5.902 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102733468 555024450 /nfs/dbraw/zinc/02/44/50/555024450.db2.gz OHCKUAUCDQFAHJ-NXLSWJSLSA-N -1 1 544.585 5.035 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102733468 555024454 /nfs/dbraw/zinc/02/44/54/555024454.db2.gz OHCKUAUCDQFAHJ-NXLSWJSLSA-N -1 1 544.585 5.035 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735496 555025480 /nfs/dbraw/zinc/02/54/80/555025480.db2.gz CEJVYLZAOQIIFB-YZUJGMDRSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735496 555025481 /nfs/dbraw/zinc/02/54/81/555025481.db2.gz CEJVYLZAOQIIFB-YZUJGMDRSA-N -1 1 592.648 6.964 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735488 555025520 /nfs/dbraw/zinc/02/55/20/555025520.db2.gz PQDRAEMNTKPHRV-IZSGBISHSA-N -1 1 609.103 7.478 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102735488 555025524 /nfs/dbraw/zinc/02/55/24/555025524.db2.gz PQDRAEMNTKPHRV-IZSGBISHSA-N -1 1 609.103 7.478 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)nc2c(C)c1 ZINC000102735504 555025592 /nfs/dbraw/zinc/02/55/92/555025592.db2.gz SZBRRYZANGIISY-NMBCHZPXSA-N -1 1 602.712 7.442 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735590 555025868 /nfs/dbraw/zinc/02/58/68/555025868.db2.gz CQJMZSADGFEQTO-GRBPGWBESA-N -1 1 595.076 7.692 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102735590 555025869 /nfs/dbraw/zinc/02/58/69/555025869.db2.gz CQJMZSADGFEQTO-GRBPGWBESA-N -1 1 595.076 7.692 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102736999 555026353 /nfs/dbraw/zinc/02/63/53/555026353.db2.gz QLUGADQCJFSLRD-KWBQTAPJSA-N -1 1 541.585 5.771 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736981 555026397 /nfs/dbraw/zinc/02/63/97/555026397.db2.gz UXLVVDZMFOWANP-HAQIDCBSSA-N -1 1 557.584 5.553 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102737017 555026718 /nfs/dbraw/zinc/02/67/18/555026718.db2.gz HZBMRQDECDMLNG-JRPVAJNPSA-N -1 1 557.584 5.553 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000102770836 555058164 /nfs/dbraw/zinc/05/81/64/555058164.db2.gz NSTLULFUDMMLLY-KWBQTAPJSA-N -1 1 575.484 6.625 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770863 555058510 /nfs/dbraw/zinc/05/85/10/555058510.db2.gz IGBOMNQGXZSGGH-RFAFYKRUSA-N -1 1 559.087 7.197 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770868 555058575 /nfs/dbraw/zinc/05/85/75/555058575.db2.gz IGBOMNQGXZSGGH-UJWLLDLUSA-N -1 1 559.087 7.197 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102770960 555058945 /nfs/dbraw/zinc/05/89/45/555058945.db2.gz FWFREGLYWZXMRU-JVJOXMINSA-N -1 1 618.180 7.557 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102770960 555058947 /nfs/dbraw/zinc/05/89/47/555058947.db2.gz FWFREGLYWZXMRU-JVJOXMINSA-N -1 1 618.180 7.557 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102771012 555058982 /nfs/dbraw/zinc/05/89/82/555058982.db2.gz VJMSMBROSDCHSE-AIKCTZLLSA-N -1 1 517.006 6.208 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102771132 555059701 /nfs/dbraw/zinc/05/97/01/555059701.db2.gz PHGPWOXZHLYLPG-HALAOQOWSA-N -1 1 527.558 5.463 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)s2)cc1 ZINC000102771299 555059993 /nfs/dbraw/zinc/05/99/93/555059993.db2.gz BQXRHKGOCCDQNE-MWCANZRFSA-N -1 1 590.126 6.742 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771311 555060032 /nfs/dbraw/zinc/06/00/32/555060032.db2.gz PBDLXELTLIFQJU-WRPQUVRJSA-N -1 1 594.089 6.573 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102771334 555060256 /nfs/dbraw/zinc/06/02/56/555060256.db2.gz SLNZQTBQQJFPDY-HALAOQOWSA-N -1 1 527.558 5.463 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)s2)cc1 ZINC000102771448 555060396 /nfs/dbraw/zinc/06/03/96/555060396.db2.gz NNQBECOHYBXCFG-NEMSTITPSA-N -1 1 573.671 6.228 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccs3)ccc2O1 ZINC000102771544 555060688 /nfs/dbraw/zinc/06/06/88/555060688.db2.gz NOBWSQFCHBHUCV-NSEAICKMSA-N -1 1 509.008 5.961 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102856757 555087937 /nfs/dbraw/zinc/08/79/37/555087937.db2.gz MCJKGDYVWPLUEZ-BUANBSPESA-N -1 1 504.995 6.201 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102856728 555088064 /nfs/dbraw/zinc/08/80/64/555088064.db2.gz ZRLANRKKPIYIMK-NXLSWJSLSA-N -1 1 533.049 6.882 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102857001 555088238 /nfs/dbraw/zinc/08/82/38/555088238.db2.gz MLMUPUUDKVEUJS-MOBKVPTQSA-N -1 1 541.412 6.247 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102857667 555088761 /nfs/dbraw/zinc/08/87/61/555088761.db2.gz GBMLKKOYUAUFTL-CZNAVJSXSA-N -1 1 544.629 6.037 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102861854 555091885 /nfs/dbraw/zinc/09/18/85/555091885.db2.gz MIAJJMMYMMMJHS-ZHHPLPSFSA-N -1 1 531.546 5.238 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102862314 555092158 /nfs/dbraw/zinc/09/21/58/555092158.db2.gz CXUTYIVVJTYLKS-SBXHHDGASA-N -1 1 500.576 5.638 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102863191 555092796 /nfs/dbraw/zinc/09/27/96/555092796.db2.gz GDUBNPKPKLYTRS-AYWGPLOBSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102863191 555092800 /nfs/dbraw/zinc/09/28/00/555092800.db2.gz GDUBNPKPKLYTRS-AYWGPLOBSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102863196 555092830 /nfs/dbraw/zinc/09/28/30/555092830.db2.gz GDUBNPKPKLYTRS-ZHHPLPSFSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102863196 555092833 /nfs/dbraw/zinc/09/28/33/555092833.db2.gz GDUBNPKPKLYTRS-ZHHPLPSFSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102863099 555092967 /nfs/dbraw/zinc/09/29/67/555092967.db2.gz DLPBMFRBDNRLRB-ZHHPLPSFSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102863099 555092969 /nfs/dbraw/zinc/09/29/69/555092969.db2.gz DLPBMFRBDNRLRB-ZHHPLPSFSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102863468 555093275 /nfs/dbraw/zinc/09/32/75/555093275.db2.gz SOSPRUFBTPXKPF-KQAPWQHSSA-N -1 1 530.602 5.565 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102864520 555094131 /nfs/dbraw/zinc/09/41/31/555094131.db2.gz KQVDUKJYFPTZOW-HOGKFDNTSA-N -1 1 508.958 6.114 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102864667 555094213 /nfs/dbraw/zinc/09/42/13/555094213.db2.gz ZXZXYEFEEHNNMM-NHFXJNLRSA-N -1 1 513.413 5.547 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102864824 555094580 /nfs/dbraw/zinc/09/45/80/555094580.db2.gz AMEPQPFNJFOPTN-JBCNATCCSA-N -1 1 529.401 6.530 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102866303 555095527 /nfs/dbraw/zinc/09/55/27/555095527.db2.gz RWDZVRALBYPOQJ-MOBKVPTQSA-N -1 1 506.898 5.051 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102867169 555096707 /nfs/dbraw/zinc/09/67/07/555096707.db2.gz UELHJSVIOGKXAE-OFNYXUPYSA-N -1 1 556.640 6.043 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000102867462 555096960 /nfs/dbraw/zinc/09/69/60/555096960.db2.gz FTKDMGJGQKYONK-NEMSTITPSA-N -1 1 574.655 5.533 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000102867462 555096961 /nfs/dbraw/zinc/09/69/61/555096961.db2.gz FTKDMGJGQKYONK-NEMSTITPSA-N -1 1 574.655 5.533 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000102867454 555097030 /nfs/dbraw/zinc/09/70/30/555097030.db2.gz FTKDMGJGQKYONK-OTQMSCLFSA-N -1 1 574.655 5.533 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000102867454 555097032 /nfs/dbraw/zinc/09/70/32/555097032.db2.gz FTKDMGJGQKYONK-OTQMSCLFSA-N -1 1 574.655 5.533 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102867942 555097359 /nfs/dbraw/zinc/09/73/59/555097359.db2.gz BMCBXGUSHIPPNX-CWMDRHISSA-N -1 1 591.085 6.697 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102867942 555097363 /nfs/dbraw/zinc/09/73/63/555097363.db2.gz BMCBXGUSHIPPNX-CWMDRHISSA-N -1 1 591.085 6.697 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000102868130 555097681 /nfs/dbraw/zinc/09/76/81/555097681.db2.gz BQFJQTSJPSOERR-NHFXJNLRSA-N -1 1 547.630 6.491 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102868807 555098148 /nfs/dbraw/zinc/09/81/48/555098148.db2.gz WDAKSWYEFBFCQM-UVDRRRQGSA-N -1 1 533.005 5.964 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000102868807 555098150 /nfs/dbraw/zinc/09/81/50/555098150.db2.gz WDAKSWYEFBFCQM-UVDRRRQGSA-N -1 1 533.005 5.964 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000102868931 555098231 /nfs/dbraw/zinc/09/82/31/555098231.db2.gz NGKWEYATQDACPK-GROYHEBESA-N -1 1 547.814 5.280 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2)nc1C ZINC000102868953 555098286 /nfs/dbraw/zinc/09/82/86/555098286.db2.gz SVQSEUZMTQGZSR-CZNAVJSXSA-N -1 1 538.625 6.168 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2)nc1C ZINC000102868953 555098288 /nfs/dbraw/zinc/09/82/88/555098288.db2.gz SVQSEUZMTQGZSR-CZNAVJSXSA-N -1 1 538.625 6.168 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCCC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102869082 555098497 /nfs/dbraw/zinc/09/84/97/555098497.db2.gz XSNYUNULXNPZAW-IWWXRALLSA-N -1 1 556.703 7.266 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102869204 555098523 /nfs/dbraw/zinc/09/85/23/555098523.db2.gz OMXWJSMXODMSQO-QKJBWNOYSA-N -1 1 528.586 5.319 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102869636 555099212 /nfs/dbraw/zinc/09/92/12/555099212.db2.gz WTTCCECBSHTVAU-JOMJOIQHSA-N -1 1 588.657 6.573 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102869636 555099213 /nfs/dbraw/zinc/09/92/13/555099213.db2.gz WTTCCECBSHTVAU-JOMJOIQHSA-N -1 1 588.657 6.573 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102869807 555099439 /nfs/dbraw/zinc/09/94/39/555099439.db2.gz WBBIIJQFWQLFFX-WNQPQFFOSA-N -1 1 603.697 6.318 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102870007 555099657 /nfs/dbraw/zinc/09/96/57/555099657.db2.gz RABNQCANCXSBRS-CGKJMNDRSA-N -1 1 591.483 6.407 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102870015 555099811 /nfs/dbraw/zinc/09/98/11/555099811.db2.gz RABNQCANCXSBRS-JFTLGNCFSA-N -1 1 591.483 6.407 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102869892 555099838 /nfs/dbraw/zinc/09/98/38/555099838.db2.gz MJIBKGXUHNYANO-WGGXKBPPSA-N -1 1 624.759 7.439 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102870064 555100198 /nfs/dbraw/zinc/10/01/98/555100198.db2.gz BGPDUHYKNOFSDC-XCSSDTEYSA-N -1 1 590.698 6.003 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102870064 555100199 /nfs/dbraw/zinc/10/01/99/555100199.db2.gz BGPDUHYKNOFSDC-XCSSDTEYSA-N -1 1 590.698 6.003 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000102873314 555103727 /nfs/dbraw/zinc/10/37/27/555103727.db2.gz IPTYXWNFCDBMMH-AYWGPLOBSA-N -1 1 596.042 5.472 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102873753 555104056 /nfs/dbraw/zinc/10/40/56/555104056.db2.gz KIJXHKHFUJHGOR-ZHHPLPSFSA-N -1 1 502.592 6.212 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102873753 555104057 /nfs/dbraw/zinc/10/40/57/555104057.db2.gz KIJXHKHFUJHGOR-ZHHPLPSFSA-N -1 1 502.592 6.212 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102874108 555104382 /nfs/dbraw/zinc/10/43/82/555104382.db2.gz URCKTZCIDIERHJ-NPJIAGGLSA-N -1 1 530.621 6.758 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102875998 555105843 /nfs/dbraw/zinc/10/58/43/555105843.db2.gz QGTCRSJEPREWDC-NPJIAGGLSA-N -1 1 530.621 6.758 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102875706 555105925 /nfs/dbraw/zinc/10/59/25/555105925.db2.gz FVBIMBJEGGGAKO-KQAPWQHSSA-N -1 1 514.603 5.947 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102878006 555107230 /nfs/dbraw/zinc/10/72/30/555107230.db2.gz RJWQLXKFHFKMKR-YDJIHCHBSA-N -1 1 525.380 5.677 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102878169 555107476 /nfs/dbraw/zinc/10/74/76/555107476.db2.gz KEBKWBAVNMRFPH-NHFXJNLRSA-N -1 1 525.380 5.677 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000102878750 555107742 /nfs/dbraw/zinc/10/77/42/555107742.db2.gz JSRXCUDQSHUVJZ-NHFXJNLRSA-N -1 1 571.449 5.334 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102879333 555108518 /nfs/dbraw/zinc/10/85/18/555108518.db2.gz RIGKEERXZCGIDF-BUANBSPESA-N -1 1 549.446 6.311 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102880091 555108932 /nfs/dbraw/zinc/10/89/32/555108932.db2.gz DGXSRIKPSQTSPI-ZZIWUOEGSA-N -1 1 519.022 6.592 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1OC ZINC000102881301 555109763 /nfs/dbraw/zinc/10/97/63/555109763.db2.gz CWMBCHQJCCEBNU-COUQNMRISA-N -1 1 535.021 6.210 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102881492 555110178 /nfs/dbraw/zinc/11/01/78/555110178.db2.gz PRIXDZSCKPDKAO-DHJMZRGKSA-N -1 1 544.629 5.955 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102882490 555110850 /nfs/dbraw/zinc/11/08/50/555110850.db2.gz JXTFJQRDGFLVNG-COUQNMRISA-N -1 1 515.547 5.456 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102883140 555111302 /nfs/dbraw/zinc/11/13/02/555111302.db2.gz JHZFMQZQKOCJDZ-AYWGPLOBSA-N -1 1 536.993 5.602 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102884822 555114579 /nfs/dbraw/zinc/11/45/79/555114579.db2.gz UQDIHFJFKMIMQQ-DNNDWWBDSA-N -1 1 568.695 7.123 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102884850 555114903 /nfs/dbraw/zinc/11/49/03/555114903.db2.gz DPMWTKALXRFBKJ-ZHHPLPSFSA-N -1 1 565.445 6.011 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000102886088 555116388 /nfs/dbraw/zinc/11/63/88/555116388.db2.gz VNNIUYGBATWYTQ-UVDRRRQGSA-N -1 1 516.550 5.450 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000102886086 555116410 /nfs/dbraw/zinc/11/64/10/555116410.db2.gz VNNIUYGBATWYTQ-ZZIWUOEGSA-N -1 1 516.550 5.450 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102886506 555116953 /nfs/dbraw/zinc/11/69/53/555116953.db2.gz ZQXUWSYQDGMJKD-FSISNWKMSA-N -1 1 561.015 5.686 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102886747 555117356 /nfs/dbraw/zinc/11/73/56/555117356.db2.gz KGCFTELPXKBUHC-NXLSVDECSA-N -1 1 614.720 6.832 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102887218 555118631 /nfs/dbraw/zinc/11/86/31/555118631.db2.gz GOMDOQUDRZSUSY-ONQGDUAMSA-N -1 1 614.676 5.856 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102887325 555118813 /nfs/dbraw/zinc/11/88/13/555118813.db2.gz LJWWOEMPRVQPGO-QMMFTLRZSA-N -1 1 590.657 6.581 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102887560 555119497 /nfs/dbraw/zinc/11/94/97/555119497.db2.gz BCISEXAPTLXODK-XXAHXYPMSA-N -1 1 628.747 7.078 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102887560 555119499 /nfs/dbraw/zinc/11/94/99/555119499.db2.gz BCISEXAPTLXODK-XXAHXYPMSA-N -1 1 628.747 7.078 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102887575 555119575 /nfs/dbraw/zinc/11/95/75/555119575.db2.gz MZFYZOQAINNGNC-PDZZUNKHSA-N -1 1 605.112 7.087 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102887530 555119579 /nfs/dbraw/zinc/11/95/79/555119579.db2.gz IMBQIJCISUWLOK-ZDZPXDOOSA-N -1 1 558.612 5.272 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000102887749 555120203 /nfs/dbraw/zinc/12/02/03/555120203.db2.gz BOLUSANVDUIYRP-DZTJFIFISA-N -1 1 632.735 6.322 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000102887749 555120206 /nfs/dbraw/zinc/12/02/06/555120206.db2.gz BOLUSANVDUIYRP-DZTJFIFISA-N -1 1 632.735 6.322 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888178 555120774 /nfs/dbraw/zinc/12/07/74/555120774.db2.gz LUCRLSAIIVDYBP-UZGIXAGNSA-N -1 1 598.721 7.214 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102888236 555121104 /nfs/dbraw/zinc/12/11/04/555121104.db2.gz RJMHYKFXRBVHFH-DDLSXHCZSA-N -1 1 598.721 7.214 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000102888402 555121490 /nfs/dbraw/zinc/12/14/90/555121490.db2.gz XRNRSNMWIIYLNP-HYVCFMKYSA-N -1 1 621.740 6.942 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102888624 555121763 /nfs/dbraw/zinc/12/17/63/555121763.db2.gz YBLJCKVYHLNPIU-NSOCNUKWSA-N -1 1 617.724 6.708 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102888911 555122517 /nfs/dbraw/zinc/12/25/17/555122517.db2.gz XRYOYJSRAFUQJC-CZNAVJSXSA-N -1 1 556.596 5.128 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102888924 555122930 /nfs/dbraw/zinc/12/29/30/555122930.db2.gz FYJDJTKGBZYCRM-UTDZTPKCSA-N -1 1 614.720 6.888 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102889128 555123155 /nfs/dbraw/zinc/12/31/55/555123155.db2.gz IOBWTTIGQZPOIW-IUKMQXEJSA-N -1 1 608.669 5.213 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102889428 555123446 /nfs/dbraw/zinc/12/34/46/555123446.db2.gz LVIPKUBSJPBSMR-ORLJDCRGSA-N -1 1 570.667 6.270 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102890729 555126224 /nfs/dbraw/zinc/12/62/24/555126224.db2.gz MOMHOPISKAQHTD-RPUIFAKWSA-N -1 1 562.644 5.367 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102890729 555126226 /nfs/dbraw/zinc/12/62/26/555126226.db2.gz MOMHOPISKAQHTD-RPUIFAKWSA-N -1 1 562.644 5.367 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102890858 555126535 /nfs/dbraw/zinc/12/65/35/555126535.db2.gz DHPUYVJMFVPNBB-HTUFKCTLSA-N -1 1 572.639 5.580 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102891279 555126791 /nfs/dbraw/zinc/12/67/91/555126791.db2.gz SJBLOZWZIUCVCX-MOBKVPTQSA-N -1 1 539.396 6.001 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102891357 555127081 /nfs/dbraw/zinc/12/70/81/555127081.db2.gz KUPSLWUMVLRKBJ-NXLSWJSLSA-N -1 1 583.449 6.399 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(Cl)c2)s1 ZINC000102891654 555127518 /nfs/dbraw/zinc/12/75/18/555127518.db2.gz JXCNHQWCRJHISQ-NXLSWJSLSA-N -1 1 532.021 6.014 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000102892273 555128342 /nfs/dbraw/zinc/12/83/42/555128342.db2.gz VJEJGLSBEGLNGA-LXIOPLLASA-N -1 1 593.057 5.925 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102893200 555130151 /nfs/dbraw/zinc/13/01/51/555130151.db2.gz POTISKLPGDLMIO-YZUJGMDRSA-N -1 1 624.715 6.582 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102893200 555130154 /nfs/dbraw/zinc/13/01/54/555130154.db2.gz POTISKLPGDLMIO-YZUJGMDRSA-N -1 1 624.715 6.582 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893846 555131677 /nfs/dbraw/zinc/13/16/77/555131677.db2.gz FUCIBNKLRCFZRC-KQAPWQHSSA-N -1 1 528.586 5.319 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102894072 555132024 /nfs/dbraw/zinc/13/20/24/555132024.db2.gz GAOWGJPUHSDPMO-CZNAVJSXSA-N -1 1 574.611 5.110 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102894072 555132026 /nfs/dbraw/zinc/13/20/26/555132026.db2.gz GAOWGJPUHSDPMO-CZNAVJSXSA-N -1 1 574.611 5.110 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102894805 555133258 /nfs/dbraw/zinc/13/32/58/555133258.db2.gz FUMLLSFZGQGDBO-BYHJQNISSA-N -1 1 612.748 7.440 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102895011 555133596 /nfs/dbraw/zinc/13/35/96/555133596.db2.gz FEPCSFCJEGRKRB-ONQGDUAMSA-N -1 1 607.084 6.535 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895296 555134157 /nfs/dbraw/zinc/13/41/57/555134157.db2.gz PIZAIKGBJNXDET-FSISNWKMSA-N -1 1 533.005 5.908 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895296 555134159 /nfs/dbraw/zinc/13/41/59/555134159.db2.gz PIZAIKGBJNXDET-FSISNWKMSA-N -1 1 533.005 5.908 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000102895376 555134266 /nfs/dbraw/zinc/13/42/66/555134266.db2.gz PGDTYAMIJJXLGD-ONQGDUAMSA-N -1 1 539.657 6.484 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102895643 555134971 /nfs/dbraw/zinc/13/49/71/555134971.db2.gz LMQXEFVJGNISHN-QMDVFYPZSA-N -1 1 584.694 6.824 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102895922 555135462 /nfs/dbraw/zinc/13/54/62/555135462.db2.gz YUOJAGQCIDNURX-DDLSXHCZSA-N -1 1 598.721 7.132 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102898095 555138196 /nfs/dbraw/zinc/13/81/96/555138196.db2.gz RYSHPFHGJJEEDV-DZTJFIFISA-N -1 1 568.651 6.071 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102898095 555138198 /nfs/dbraw/zinc/13/81/98/555138198.db2.gz RYSHPFHGJJEEDV-DZTJFIFISA-N -1 1 568.651 6.071 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102899239 555138855 /nfs/dbraw/zinc/13/88/55/555138855.db2.gz UPJWISLMVMGYCZ-XTUFCYCQSA-N -1 1 604.725 6.427 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102899239 555138857 /nfs/dbraw/zinc/13/88/57/555138857.db2.gz UPJWISLMVMGYCZ-XTUFCYCQSA-N -1 1 604.725 6.427 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102926139 555150374 /nfs/dbraw/zinc/15/03/74/555150374.db2.gz RFGJZHCSHYWYPD-COUQNMRISA-N -1 1 516.550 5.465 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102926139 555150376 /nfs/dbraw/zinc/15/03/76/555150376.db2.gz RFGJZHCSHYWYPD-COUQNMRISA-N -1 1 516.550 5.465 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102926141 555150710 /nfs/dbraw/zinc/15/07/10/555150710.db2.gz RFGJZHCSHYWYPD-BUANBSPESA-N -1 1 516.550 5.465 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102926141 555150711 /nfs/dbraw/zinc/15/07/11/555150711.db2.gz RFGJZHCSHYWYPD-BUANBSPESA-N -1 1 516.550 5.465 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000102926503 555150788 /nfs/dbraw/zinc/15/07/88/555150788.db2.gz YGLJFLIIEKVIFS-HOGKFDNTSA-N -1 1 511.043 6.346 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102927904 555152630 /nfs/dbraw/zinc/15/26/30/555152630.db2.gz BVNPYQFXPORLCJ-HOGKFDNTSA-N -1 1 518.547 5.009 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102927999 555152854 /nfs/dbraw/zinc/15/28/54/555152854.db2.gz FBQRBFIIAVDATA-WOOAAIBNSA-N -1 1 527.421 5.755 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102928619 555154172 /nfs/dbraw/zinc/15/41/72/555154172.db2.gz AQAHPOPMAQDSMF-ZHHPLPSFSA-N -1 1 504.564 5.621 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102929318 555154970 /nfs/dbraw/zinc/15/49/70/555154970.db2.gz UVBZQBPLRATORX-AYWGPLOBSA-N -1 1 520.994 5.983 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccccc3F)sc2c1 ZINC000102929790 555155860 /nfs/dbraw/zinc/15/58/60/555155860.db2.gz UKKORBBHMFSLRY-ZHHPLPSFSA-N -1 1 504.539 5.469 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102933161 555160495 /nfs/dbraw/zinc/16/04/95/555160495.db2.gz SMAFXPKKSRBMKY-IUKMQXEJSA-N -1 1 530.602 5.647 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000103929009 571370130 /nfs/dbraw/zinc/37/01/30/571370130.db2.gz VMUUTVRLRWITNF-YDJIHCHBSA-N -1 1 561.443 5.878 50 30 KKEAMM O=S1(=O)OC(c2cc(I)c([O-])c(I)c2)(c2cc(I)c(O)c(I)c2)c2ccccc21 ZINC000150339739 571457639 /nfs/dbraw/zinc/45/76/39/571457639.db2.gz RXNYILISXGUYFG-UHFFFAOYSA-N -1 1 857.967 5.527 50 30 KKEAMM Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1O)C(=CNCc1ccco1)C(=O)C(=O)C3C(C)C)C(=CNCc1ccco1)C(=O)C(=O)C2C(C)C ZINC000150346602 571460561 /nfs/dbraw/zinc/46/05/61/571460561.db2.gz CCZGPBKTHZJBCW-HJTNQMAYSA-N -1 1 676.766 7.845 50 30 biogenic KKEAMM Cc1nc(-c2ccccc2)sc1C(=O)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccc(F)cc1 ZINC000150404458 571479065 /nfs/dbraw/zinc/47/90/65/571479065.db2.gz GTTUEWUXBJEJFL-HHHXNRCGSA-N -1 1 650.782 8.338 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150418412 571486544 /nfs/dbraw/zinc/48/65/44/571486544.db2.gz JCTKKPYJMAPTQD-XKNZNLGKSA-N -1 1 647.750 6.717 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000150422193 571488070 /nfs/dbraw/zinc/48/80/70/571488070.db2.gz ATQWIISOWXZCHV-RWTZSVALSA-N -1 1 699.810 7.960 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000150422220 571488373 /nfs/dbraw/zinc/48/83/73/571488373.db2.gz VVFUEDKKESHPCC-NNZNMFTDSA-N -1 1 689.831 7.743 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000150426361 571490557 /nfs/dbraw/zinc/49/05/57/571490557.db2.gz YOQFDFNZDWOERT-QNIVJUIWSA-N -1 1 634.135 6.220 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000150428564 571492163 /nfs/dbraw/zinc/49/21/63/571492163.db2.gz NPVIZSMGCMNVCS-PMERELPUSA-N -1 1 706.871 8.606 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000150432512 571494179 /nfs/dbraw/zinc/49/41/79/571494179.db2.gz OHEMJFYLQYJWQJ-HSZRJFAPSA-N -1 1 628.040 5.035 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000150435546 571495435 /nfs/dbraw/zinc/49/54/35/571495435.db2.gz LOSQQCCTQRVVIX-JOZOHXTNSA-N -1 1 709.821 7.897 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435649 571495691 /nfs/dbraw/zinc/49/56/91/571495691.db2.gz IZMFDJIOYIIQEF-VDKPZLLLSA-N -1 1 653.156 7.877 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435649 571495692 /nfs/dbraw/zinc/49/56/92/571495692.db2.gz IZMFDJIOYIIQEF-VDKPZLLLSA-N -1 1 653.156 7.877 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000150435797 571495778 /nfs/dbraw/zinc/49/57/78/571495778.db2.gz QNONWGPLBDCTDJ-UFCAPWSISA-N -1 1 743.863 8.359 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435702 571495831 /nfs/dbraw/zinc/49/58/31/571495831.db2.gz CVRCQYXBOWAUFY-PCXKHGAYSA-N -1 1 662.764 7.622 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150445108 571500138 /nfs/dbraw/zinc/50/01/38/571500138.db2.gz QNKVXJFXHSPHSA-KFLIVHAJSA-N -1 1 660.748 7.934 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150445111 571500222 /nfs/dbraw/zinc/50/02/22/571500222.db2.gz QNKVXJFXHSPHSA-SZYGQJGOSA-N -1 1 660.748 7.934 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445863 571500742 /nfs/dbraw/zinc/50/07/42/571500742.db2.gz OFGLHEMHLKWAMY-FZIYRNTBSA-N -1 1 632.163 6.998 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150446804 571501094 /nfs/dbraw/zinc/50/10/94/571501094.db2.gz KHBYPCXXTNRGHC-WYNCGZBVSA-N -1 1 648.206 7.612 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000150447011 571501157 /nfs/dbraw/zinc/50/11/57/571501157.db2.gz NKFKFDCYWHCXMT-VWLOTQADSA-N -1 1 638.123 6.618 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453798 571503762 /nfs/dbraw/zinc/50/37/62/571503762.db2.gz OFSFZJIZXPIFLN-RBHLQMETSA-N -1 1 648.737 7.232 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453798 571503763 /nfs/dbraw/zinc/50/37/63/571503763.db2.gz OFSFZJIZXPIFLN-RBHLQMETSA-N -1 1 648.737 7.232 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150457683 571505015 /nfs/dbraw/zinc/50/50/15/571505015.db2.gz HIBLOLNHIVPKHV-WKUSSTJHSA-N -1 1 682.651 8.266 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457827 571505216 /nfs/dbraw/zinc/50/52/16/571505216.db2.gz NGDBHKLVKGCDLV-QMDVFYPZSA-N -1 1 678.232 7.621 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150458489 571505536 /nfs/dbraw/zinc/50/55/36/571505536.db2.gz NCJXTFSZHJPPNU-WSOTVMCUSA-N -1 1 677.848 8.502 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C ZINC000150459749 571505947 /nfs/dbraw/zinc/50/59/47/571505947.db2.gz FAOJREGVWPWXOA-TXTDGAROSA-N -1 1 648.734 6.160 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150460578 571506134 /nfs/dbraw/zinc/50/61/34/571506134.db2.gz OGZWQOFRWNQHLP-NNZNMFTDSA-N -1 1 689.831 7.887 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000150460624 571506162 /nfs/dbraw/zinc/50/61/62/571506162.db2.gz JKLBPGVAZJASOH-FCLPXNLHSA-N -1 1 641.815 7.513 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150461452 571506280 /nfs/dbraw/zinc/50/62/80/571506280.db2.gz NWBXBFHSXWCVNY-LOOKCOSASA-N -1 1 631.751 7.098 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150461219 571506350 /nfs/dbraw/zinc/50/63/50/571506350.db2.gz DDNMCDZVBBTUFJ-NBXYUPGTSA-N -1 1 633.795 8.057 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150462870 571506749 /nfs/dbraw/zinc/50/67/49/571506749.db2.gz ZVYZBUBZZSZXNM-UZGIXAGNSA-N -1 1 675.804 7.497 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150462765 571506784 /nfs/dbraw/zinc/50/67/84/571506784.db2.gz RXELSXPDPPZQLN-NBXYUPGTSA-N -1 1 682.223 8.013 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150463187 571506923 /nfs/dbraw/zinc/50/69/23/571506923.db2.gz IJVXLJJBEOTLQE-VXJPNWOUSA-N -1 1 645.778 7.344 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150463107 571506960 /nfs/dbraw/zinc/50/69/60/571506960.db2.gz VNPUIRGWYUCACF-WGGXKBPPSA-N -1 1 670.740 6.334 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000150463202 571507013 /nfs/dbraw/zinc/50/70/13/571507013.db2.gz RFPIPEUKSBZXFL-QOISPNJLSA-N -1 1 641.815 7.658 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150463522 571507204 /nfs/dbraw/zinc/50/72/04/571507204.db2.gz KLHFHAIGLXADFB-QBCYBHDASA-N -1 1 645.778 7.344 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463438 571507239 /nfs/dbraw/zinc/50/72/39/571507239.db2.gz GWEAJFAZYLBVED-KBNMONRCSA-N -1 1 663.821 8.112 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150463870 571507425 /nfs/dbraw/zinc/50/74/25/571507425.db2.gz GHIQIZFTIAXKMO-WENCHWOGSA-N -1 1 657.814 7.358 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150463846 571507463 /nfs/dbraw/zinc/50/74/63/571507463.db2.gz FWSCFIOLGYGWHX-DNPZSINUSA-N -1 1 693.847 8.121 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150467509 571508123 /nfs/dbraw/zinc/50/81/23/571508123.db2.gz JKMPBZDLKOXVGM-CZNAVJSXSA-N -1 1 668.580 7.100 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150467633 571508255 /nfs/dbraw/zinc/50/82/55/571508255.db2.gz REQYMQIYYXRQBN-NPJIAGGLSA-N -1 1 656.569 6.933 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150469614 571508849 /nfs/dbraw/zinc/50/88/49/571508849.db2.gz ZOWUBCWHELYFQW-LLAWDOGUSA-N -1 1 652.625 8.210 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150469614 571508851 /nfs/dbraw/zinc/50/88/51/571508851.db2.gz ZOWUBCWHELYFQW-LLAWDOGUSA-N -1 1 652.625 8.210 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150471538 571509468 /nfs/dbraw/zinc/50/94/68/571509468.db2.gz VLPMQSJEXNBJOA-RWTZSVALSA-N -1 1 723.873 8.349 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150471540 571509555 /nfs/dbraw/zinc/50/95/55/571509555.db2.gz VLPMQSJEXNBJOA-JHRPXHEESA-N -1 1 723.873 8.349 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000150472814 571510205 /nfs/dbraw/zinc/51/02/05/571510205.db2.gz JBYJSYGGSIUHDS-AHPONGEQSA-N -1 1 663.777 7.115 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150473622 571510367 /nfs/dbraw/zinc/51/03/67/571510367.db2.gz FCQKMIILEQPXIK-MIOXIQPJSA-N -1 1 694.231 7.459 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000150476807 571511088 /nfs/dbraw/zinc/51/10/88/571511088.db2.gz JMJCAKNZIPLTIM-UUALVTFQSA-N -1 1 628.131 7.035 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150477264 571511204 /nfs/dbraw/zinc/51/12/04/571511204.db2.gz WUNPPVGYBQJZLO-UUALVTFQSA-N -1 1 650.178 7.060 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150477266 571511335 /nfs/dbraw/zinc/51/13/35/571511335.db2.gz WUNPPVGYBQJZLO-ONQGDUAMSA-N -1 1 650.178 7.060 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150479445 571511541 /nfs/dbraw/zinc/51/15/41/571511541.db2.gz PDMDNGJPODFPCH-QMMFTLRZSA-N -1 1 635.767 7.505 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150479445 571511543 /nfs/dbraw/zinc/51/15/43/571511543.db2.gz PDMDNGJPODFPCH-QMMFTLRZSA-N -1 1 635.767 7.505 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150480384 571511915 /nfs/dbraw/zinc/51/19/15/571511915.db2.gz WYANABXJEOPBAU-MIOXIQPJSA-N -1 1 677.776 6.945 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150481852 571512797 /nfs/dbraw/zinc/51/27/97/571512797.db2.gz RDXQCQHTUDZAKI-ONQGDUAMSA-N -1 1 633.723 6.546 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150481852 571512799 /nfs/dbraw/zinc/51/27/99/571512799.db2.gz RDXQCQHTUDZAKI-ONQGDUAMSA-N -1 1 633.723 6.546 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150482801 571513482 /nfs/dbraw/zinc/51/34/82/571513482.db2.gz ITUOTMFVHYQISU-VEZPTTSMSA-N -1 1 691.803 7.335 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Br)c2)cc1F ZINC000150483263 571513944 /nfs/dbraw/zinc/51/39/44/571513944.db2.gz ZJOPOESRAQECML-SANMLTNESA-N -1 1 646.563 7.977 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000150484876 571515408 /nfs/dbraw/zinc/51/54/08/571515408.db2.gz GKZPVEVDUNHMNT-FSISNWKMSA-N -1 1 644.989 7.740 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150485488 571515950 /nfs/dbraw/zinc/51/59/50/571515950.db2.gz VULMHLJPDSBQAW-SSEXGKCCSA-N -1 1 690.872 8.987 50 30 KKEAMM O=C1NC(=NN=Cc2cc(I)cc(I)c2[O-])S/C1=C\c1cc(Br)cc(Br)c1O ZINC000252613727 572268479 /nfs/dbraw/zinc/26/84/79/572268479.db2.gz JDJPBPJIWYJHBR-NYAVDZJISA-N -1 1 748.960 5.426 50 30 KKEAMM CCCCCOc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])cc1 ZINC000263625999 1071153761 /nfs/dbraw/zinc/15/37/61/1071153761.db2.gz AAZRUUQPSOBHNE-UHFFFAOYSA-N -1 1 510.616 6.027 50 30 KKEAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N=C3N=C4C=CC(Br)=CN4Cc4ccccc43)c2)cc1 ZINC000254482767 1072857341 /nfs/dbraw/zinc/85/73/41/1072857341.db2.gz ZVIPKFQJRSOHNT-UHFFFAOYSA-N -1 1 577.460 5.103 50 30 KKEAMM CCN(Cc1ccccc1)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000254721208 1072872749 /nfs/dbraw/zinc/87/27/49/1072872749.db2.gz CPCNFWDGRXBVBZ-UHFFFAOYSA-N -1 1 559.648 5.877 50 30 KKEAMM COc1ccc([N-]S(=O)(=O)c2ccc(N=NC(C)c3ccc(C4CCCCC4)cc3)c([N+](=O)[O-])c2)cc1 ZINC000254867761 1072886383 /nfs/dbraw/zinc/88/63/83/1072886383.db2.gz FSWXZEAWRXZCDK-UHFFFAOYSA-N -1 1 522.627 6.288 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000000631194 551505047 /nfs/dbraw/zinc/50/50/47/551505047.db2.gz OZHSRUUCOUHZSO-IBGZPJMESA-N -1 1 541.423 5.482 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(N(C)C)cc2)nc1C ZINC000000702945 551529734 /nfs/dbraw/zinc/52/97/34/551529734.db2.gz YYQWJUGVTGCZIH-QFIPXVFZSA-N -1 1 501.564 5.249 50 30 KKEAMM CC1=C(C(=O)OC(C)C)[C@@H](c2cc(Br)cc(Br)c2[O-])C2=C(CC(C)(C)CC2=O)N1 ZINC000000825847 551544805 /nfs/dbraw/zinc/54/48/05/551544805.db2.gz IRAWZXNAJKVOTF-GOSISDBHSA-N -1 1 527.253 5.473 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[n-]c(=O)c1[C@H]2c1ccc2c(c1)OCO2 ZINC000000959810 551590026 /nfs/dbraw/zinc/59/00/26/551590026.db2.gz HSNMIEKELVUMSR-NRFANRHFSA-N -1 1 522.026 5.645 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000000959773 551590041 /nfs/dbraw/zinc/59/00/41/551590041.db2.gz MGSFISYFCRDIFL-HXUWFJFHSA-N -1 1 506.559 5.722 50 30 KKEAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccs2)cc1OC ZINC000001097626 551607958 /nfs/dbraw/zinc/60/79/58/551607958.db2.gz SKXIFIORZWGYRB-YRVHBCJASA-N -1 1 532.618 5.531 50 30 KKEAMM COc1cc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000001122448 551613352 /nfs/dbraw/zinc/61/33/52/551613352.db2.gz VQVWLTQYAVNPGC-QFIPXVFZSA-N -1 1 551.640 5.840 50 30 KKEAMM COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243790 551631244 /nfs/dbraw/zinc/63/12/44/551631244.db2.gz SEZWZILQHINOLR-DFXYEROKSA-N -1 1 542.563 5.378 50 30 KKEAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccs2)cc1 ZINC000001259067 551633577 /nfs/dbraw/zinc/63/35/77/551633577.db2.gz KGEXVVPEHJTOJQ-WRHNGFHOSA-N -1 1 502.592 5.522 50 30 KKEAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccs2)cc1 ZINC000001259069 551633594 /nfs/dbraw/zinc/63/35/94/551633594.db2.gz KGEXVVPEHJTOJQ-JMQGSBJISA-N -1 1 502.592 5.522 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001449925 551674851 /nfs/dbraw/zinc/67/48/51/551674851.db2.gz 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/nfs/dbraw/zinc/68/12/39/551681239.db2.gz YKGMWRSITJVVCZ-XMMPIXPASA-N -1 1 581.046 6.157 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480832 551681927 /nfs/dbraw/zinc/68/19/27/551681927.db2.gz RQQPDKNANDTKGS-VWLOTQADSA-N -1 1 560.628 5.812 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001480828 551681934 /nfs/dbraw/zinc/68/19/34/551681934.db2.gz ORXZEVKOWRKOIK-DEOSSOPVSA-N -1 1 530.602 5.804 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480814 551681970 /nfs/dbraw/zinc/68/19/70/551681970.db2.gz XXEQBXABASDEGK-QHCPKHFHSA-N -1 1 550.564 5.253 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482302 551682622 /nfs/dbraw/zinc/68/26/22/551682622.db2.gz AUPDCIBSLMIYDZ-QHCPKHFHSA-N -1 1 534.565 5.553 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482302 551682624 /nfs/dbraw/zinc/68/26/24/551682624.db2.gz AUPDCIBSLMIYDZ-QHCPKHFHSA-N -1 1 534.565 5.553 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000001813264 551706774 /nfs/dbraw/zinc/70/67/74/551706774.db2.gz LZRYSKVQLKYAJP-QYBDOPJKSA-N -1 1 585.707 6.254 50 30 KKEAMM O=C(OC(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 ZINC000001894737 551727309 /nfs/dbraw/zinc/72/73/09/551727309.db2.gz OQSLOQTTWVZVHA-UHFFFAOYSA-N -1 1 521.410 5.803 50 30 KKEAMM CC(C)(C)c1ccc(C(=O)Nc2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Br)c3[O-])cc2)cc1 ZINC000001948651 551735171 /nfs/dbraw/zinc/73/51/71/551735171.db2.gz QSEZLJCWSXDFGP-ALQBTCKLSA-N -1 1 575.934 8.699 50 30 KKEAMM CCCCOc1ccc(-c2c(C#N)c(SCC(=O)c3ccc([O-])c(O)c3)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000002064200 551744918 /nfs/dbraw/zinc/74/49/18/551744918.db2.gz ZWBRFLDKYBYWHC-UHFFFAOYSA-N -1 1 567.667 6.746 50 30 KKEAMM COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(Br)c(Br)c1[O-] ZINC000002084584 551754297 /nfs/dbraw/zinc/75/42/97/551754297.db2.gz SZMDEBCBDFUOEH-PFUKCMDESA-N -1 1 560.267 6.734 50 30 KKEAMM [O-]c1c(Br)cc(Br)cc1C=Nn1c(=S)[nH]nc1-c1ccccc1Br ZINC000002304584 552090058 /nfs/dbraw/zinc/09/00/58/552090058.db2.gz SPQJEIATIQCGDE-FBCYGCLPSA-N -1 1 533.043 5.483 50 30 KKEAMM COc1ccc([C@@H]2c3c4nc(-c5cc6ccccc6cc5[O-])nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002410856 552113740 /nfs/dbraw/zinc/11/37/40/552113740.db2.gz QQDWCNITJCPEPN-SANMLTNESA-N -1 1 548.599 5.835 50 30 KKEAMM COc1ccc([C@H]2c3c4nc(-c5ccc6ccccc6c5[O-])nn4cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002411187 552113791 /nfs/dbraw/zinc/11/37/91/552113791.db2.gz CGRSYLQEJOHFMN-XMMPIXPASA-N -1 1 518.573 5.826 50 30 KKEAMM CC(C)OP(=O)(OC(C)C)[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2)C=C(Br)C(=O)c2ccccc21 ZINC000002554606 552129554 /nfs/dbraw/zinc/12/95/54/552129554.db2.gz GPTNXLIODUWJDF-QFIPXVFZSA-N -1 1 576.833 5.990 50 30 KKEAMM CC(C)OP(=O)(OC(C)C)[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2)C=C(Br)C(=O)c2ccccc21 ZINC000002554609 552129586 /nfs/dbraw/zinc/12/95/86/552129586.db2.gz GPTNXLIODUWJDF-JOCHJYFZSA-N -1 1 576.833 5.990 50 30 KKEAMM CCOC(=O)c1cnn(-c2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c1C(F)(F)F ZINC000003120295 552290853 /nfs/dbraw/zinc/29/08/53/552290853.db2.gz UJRHONKKTXNDJX-UHFFFAOYSA-N -1 1 575.409 5.906 50 30 KKEAMM CCCCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C)cc1C)c1ccccc21 ZINC000003368524 552374331 /nfs/dbraw/zinc/37/43/31/552374331.db2.gz LIKRFMYDRCLTHI-UHFFFAOYSA-N -1 1 507.652 7.439 50 30 KKEAMM CCCCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc(C)ccc1C)c1ccccc21 ZINC000003368489 552374395 /nfs/dbraw/zinc/37/43/95/552374395.db2.gz JFEMAJVHMZWSJR-UHFFFAOYSA-N -1 1 507.652 7.439 50 30 KKEAMM Cc1cc(=O)[n-]c(Sc2ccc([N+](=O)[O-])cc2C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)n1 ZINC000003771889 552417446 /nfs/dbraw/zinc/41/74/46/552417446.db2.gz FBCVJIYLEUKYTE-RWPZCVJISA-N -1 1 545.646 6.493 50 30 KKEAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004793545 552485214 /nfs/dbraw/zinc/48/52/14/552485214.db2.gz ZMTVQRNKRGQVJG-OAQYLSRUSA-N -1 1 536.495 6.334 50 30 KKEAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004793539 552485265 /nfs/dbraw/zinc/48/52/65/552485265.db2.gz ZMTVQRNKRGQVJG-NRFANRHFSA-N -1 1 536.495 6.334 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000005355317 552498500 /nfs/dbraw/zinc/49/85/00/552498500.db2.gz FCROLXKIGZLPOW-XMMPIXPASA-N -1 1 580.659 5.526 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355607 552498912 /nfs/dbraw/zinc/49/89/12/552498912.db2.gz FRGGTRBJECFARK-VWLOTQADSA-N -1 1 578.687 6.297 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355953 552498962 /nfs/dbraw/zinc/49/89/62/552498962.db2.gz RGVSBILKJOAWPU-HSZRJFAPSA-N -1 1 534.634 5.898 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355953 552498965 /nfs/dbraw/zinc/49/89/65/552498965.db2.gz RGVSBILKJOAWPU-HSZRJFAPSA-N -1 1 534.634 5.898 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000005355549 552499009 /nfs/dbraw/zinc/49/90/09/552499009.db2.gz IBBMIUGRZZIXNW-OAQYLSRUSA-N -1 1 524.570 5.257 50 30 KKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000005357162 552499308 /nfs/dbraw/zinc/49/93/08/552499308.db2.gz JKPRJFYAVIBODG-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000005357162 552499310 /nfs/dbraw/zinc/49/93/10/552499310.db2.gz JKPRJFYAVIBODG-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005357006 552499400 /nfs/dbraw/zinc/49/94/00/552499400.db2.gz SZCRBHAESOYHCM-QHCPKHFHSA-N -1 1 561.015 6.467 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000005919018 552511983 /nfs/dbraw/zinc/51/19/83/552511983.db2.gz SIMDAZOLCCXQCK-XMMPIXPASA-N -1 1 546.645 5.983 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)cc3C)[C@H]2c2ccc(C)cc2)nc1C ZINC000005919018 552511985 /nfs/dbraw/zinc/51/19/85/552511985.db2.gz SIMDAZOLCCXQCK-XMMPIXPASA-N -1 1 546.645 5.983 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1C ZINC000005919765 552512629 /nfs/dbraw/zinc/51/26/29/552512629.db2.gz BHPGRFBIUKQASP-JOCHJYFZSA-N -1 1 536.581 5.423 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000005927672 552513134 /nfs/dbraw/zinc/51/31/34/552513134.db2.gz QGTNYPHTZGXBSP-RUZDIDTESA-N -1 1 560.672 6.408 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000006016179 552519478 /nfs/dbraw/zinc/51/94/78/552519478.db2.gz JVUNLHHAMWYDSD-HSZRJFAPSA-N -1 1 579.612 5.383 50 30 KKEAMM CCN(CC)c1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006143585 552545156 /nfs/dbraw/zinc/54/51/56/552545156.db2.gz VVGQBTGUVJBECZ-DEOSSOPVSA-N -1 1 514.695 6.109 50 30 KKEAMM CCN(CC)c1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000006143588 552545168 /nfs/dbraw/zinc/54/51/68/552545168.db2.gz QJFLMCNYTQPTJC-XMMPIXPASA-N -1 1 532.685 6.248 50 30 KKEAMM COc1ccc(OC)c([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000006143592 552545181 /nfs/dbraw/zinc/54/51/81/552545181.db2.gz RCJPFQMRRCLXMW-JOCHJYFZSA-N -1 1 548.621 5.188 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000006445364 552587661 /nfs/dbraw/zinc/58/76/61/552587661.db2.gz MDGKUTLYHFQUEX-HXUWFJFHSA-N -1 1 536.731 6.904 50 30 KKEAMM COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nc(C)c(C(C)=O)s4)[C@H]3c3cc(OC)c(OC)c(OC)c3)oc21 ZINC000006459120 552590073 /nfs/dbraw/zinc/59/00/73/552590073.db2.gz NDBWIIPSZXYDBE-QFIPXVFZSA-N -1 1 578.599 5.218 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000008383354 552986164 /nfs/dbraw/zinc/98/61/64/552986164.db2.gz PWMUGMSHUYONLH-AREMUKBSSA-N -1 1 585.682 7.622 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(O)c1 ZINC000008383374 552986555 /nfs/dbraw/zinc/98/65/55/552986555.db2.gz UPNAIHXJKPBLJG-HSZRJFAPSA-N -1 1 559.600 6.204 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc(OC)c1OC ZINC000008383992 552988253 /nfs/dbraw/zinc/98/82/53/552988253.db2.gz GTPPIILSVJYRCM-SANMLTNESA-N -1 1 629.716 6.694 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000008383984 552988260 /nfs/dbraw/zinc/98/82/60/552988260.db2.gz FEEMLBZFVLLGMN-AREMUKBSSA-N -1 1 567.692 7.230 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000008384047 552988703 /nfs/dbraw/zinc/98/87/03/552988703.db2.gz NKWDMLCBLDGQAE-HSZRJFAPSA-N -1 1 594.501 7.666 50 30 KKEAMM CC(C)(C)c1cc(Cl)c([O-])c(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(C(C)(C)C)cc(Cl)c2O)c1 ZINC000008397854 552997791 /nfs/dbraw/zinc/99/77/91/552997791.db2.gz DBYQQOUSHXHMFK-OZXDELKGSA-N -1 1 503.514 7.849 50 30 KKEAMM CCCCN(CCCC)c1nc(=NN=Cc2cc(Br)cc(Br)c2[O-])nc(Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000008402461 553006491 /nfs/dbraw/zinc/00/64/91/553006491.db2.gz KBQOVAPEXBWKTR-JFLMPSFJSA-N -1 1 636.349 6.607 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000008433269 553028546 /nfs/dbraw/zinc/02/85/46/553028546.db2.gz HXSACJMVJZYFNY-HSZRJFAPSA-N -1 1 550.633 5.517 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000008439946 553036306 /nfs/dbraw/zinc/03/63/06/553036306.db2.gz WGMCTADMNJJVJO-HXUWFJFHSA-N -1 1 536.731 6.904 50 30 KKEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000008439948 553036315 /nfs/dbraw/zinc/03/63/15/553036315.db2.gz KZILOVKZHBEZGJ-OAQYLSRUSA-N -1 1 532.312 6.259 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000008441137 553039488 /nfs/dbraw/zinc/03/94/88/553039488.db2.gz IJVASGSORHPDMI-SANMLTNESA-N -1 1 574.655 6.761 50 30 KKEAMM CN(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000008441258 553039985 /nfs/dbraw/zinc/03/99/85/553039985.db2.gz ARVSIJGXLAEKBO-RUZDIDTESA-N -1 1 568.680 6.426 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000008441248 553040001 /nfs/dbraw/zinc/04/00/01/553040001.db2.gz SEPHFPFVQVPFNV-SSEXGKCCSA-N -1 1 631.735 7.939 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000008441692 553041528 /nfs/dbraw/zinc/04/15/28/553041528.db2.gz BGCIMKDXSUHNQJ-DEOSSOPVSA-N -1 1 549.435 7.749 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441769 553042141 /nfs/dbraw/zinc/04/21/41/553042141.db2.gz GCZRIENQFRUBEI-NDEPHWFRSA-N -1 1 589.698 7.821 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000008441815 553042406 /nfs/dbraw/zinc/04/24/06/553042406.db2.gz PKKBJFNAWUWTRH-SANMLTNESA-N -1 1 553.596 5.963 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441793 553042430 /nfs/dbraw/zinc/04/24/30/553042430.db2.gz FRORCDZKYOITND-SSEXGKCCSA-N -1 1 617.752 8.636 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441793 553042433 /nfs/dbraw/zinc/04/24/33/553042433.db2.gz FRORCDZKYOITND-SSEXGKCCSA-N -1 1 617.752 8.636 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccccc1F ZINC000008441799 553042453 /nfs/dbraw/zinc/04/24/53/553042453.db2.gz MZYFPCDFQCTVLS-HHHXNRCGSA-N -1 1 593.661 7.652 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008740569 553132183 /nfs/dbraw/zinc/13/21/83/553132183.db2.gz CMQIYYIWWAPCCD-DEOSSOPVSA-N -1 1 518.566 5.798 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008740569 553132185 /nfs/dbraw/zinc/13/21/85/553132185.db2.gz CMQIYYIWWAPCCD-DEOSSOPVSA-N -1 1 518.566 5.798 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008742894 553133563 /nfs/dbraw/zinc/13/35/63/553133563.db2.gz HIQQGMXWLOOHQC-OAQYLSRUSA-N -1 1 506.605 5.720 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008742894 553133566 /nfs/dbraw/zinc/13/35/66/553133566.db2.gz HIQQGMXWLOOHQC-OAQYLSRUSA-N -1 1 506.605 5.720 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008817907 553153129 /nfs/dbraw/zinc/15/31/29/553153129.db2.gz SWENYVAHDMAUDZ-JOCHJYFZSA-N -1 1 518.522 5.014 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008817906 553153172 /nfs/dbraw/zinc/15/31/72/553153172.db2.gz SWENYVAHDMAUDZ-QFIPXVFZSA-N -1 1 518.522 5.014 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000008818024 553153354 /nfs/dbraw/zinc/15/33/54/553153354.db2.gz CEXRSWUHIXTHEW-JOCHJYFZSA-N -1 1 520.538 5.244 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008836990 553163443 /nfs/dbraw/zinc/16/34/43/553163443.db2.gz LCTVLKBDYNETHP-XMMPIXPASA-N -1 1 516.575 5.495 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000008837154 553163787 /nfs/dbraw/zinc/16/37/87/553163787.db2.gz JEKDLRUPIOMMKS-QHCPKHFHSA-N -1 1 502.548 5.105 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000008837622 553164042 /nfs/dbraw/zinc/16/40/42/553164042.db2.gz QKHXDBCNFADIJH-QHCPKHFHSA-N -1 1 504.539 5.626 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000008838074 553164680 /nfs/dbraw/zinc/16/46/80/553164680.db2.gz IWDIHSWTLBPWGB-QFIPXVFZSA-N -1 1 520.538 5.244 50 30 KKEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(F)c2)cc1Br ZINC000008846446 553166257 /nfs/dbraw/zinc/16/62/57/553166257.db2.gz FLCRMGKKLKMMAE-OAQYLSRUSA-N -1 1 500.751 6.333 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)c1 ZINC000008846429 553166286 /nfs/dbraw/zinc/16/62/86/553166286.db2.gz ZIZNRDRXYNZBRS-JOCHJYFZSA-N -1 1 512.787 6.202 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)c1 ZINC000008846429 553166288 /nfs/dbraw/zinc/16/62/88/553166288.db2.gz ZIZNRDRXYNZBRS-JOCHJYFZSA-N -1 1 512.787 6.202 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894639 553177658 /nfs/dbraw/zinc/17/76/58/553177658.db2.gz HSOIHDZHDGSRHU-HSZRJFAPSA-N -1 1 504.633 6.492 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894639 553177662 /nfs/dbraw/zinc/17/76/62/553177662.db2.gz HSOIHDZHDGSRHU-HSZRJFAPSA-N -1 1 504.633 6.492 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008894598 553177723 /nfs/dbraw/zinc/17/77/23/553177723.db2.gz KXMMZJMRNFOSEM-HSZRJFAPSA-N -1 1 502.617 6.268 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008895493 553178218 /nfs/dbraw/zinc/17/82/18/553178218.db2.gz QCGANVWACSGQCV-XMMPIXPASA-N -1 1 500.576 5.795 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008896757 553179107 /nfs/dbraw/zinc/17/91/07/553179107.db2.gz XEBMCTFQOJZCQP-DEOSSOPVSA-N -1 1 519.022 6.694 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008896757 553179110 /nfs/dbraw/zinc/17/91/10/553179110.db2.gz XEBMCTFQOJZCQP-DEOSSOPVSA-N -1 1 519.022 6.694 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008901716 553182275 /nfs/dbraw/zinc/18/22/75/553182275.db2.gz HBXMZNASBQWDKM-JOCHJYFZSA-N -1 1 506.967 5.750 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000008903776 553183282 /nfs/dbraw/zinc/18/32/82/553183282.db2.gz OZZDPERDLHETCN-NRFANRHFSA-N -1 1 522.554 5.115 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008905334 553183734 /nfs/dbraw/zinc/18/37/34/553183734.db2.gz LAGAEHJIWSIZLF-QFIPXVFZSA-N -1 1 506.536 5.088 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000008921011 553189488 /nfs/dbraw/zinc/18/94/88/553189488.db2.gz ZRCHZUMPFRWHOT-DEOSSOPVSA-N -1 1 516.575 5.495 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008921517 553189699 /nfs/dbraw/zinc/18/96/99/553189699.db2.gz FIHNUAXSLKSOLA-QHCPKHFHSA-N -1 1 516.575 5.495 50 30 KKEAMM O=C1C=CC(=[NH+][N-]c2cccc(C(F)(F)F)c2)C=C1C=Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000008935053 553193256 /nfs/dbraw/zinc/19/32/56/553193256.db2.gz ZGGDTUPSQGPFST-PILGNNSUSA-N -1 1 502.452 8.091 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000008973901 553195496 /nfs/dbraw/zinc/19/54/96/553195496.db2.gz HILLUZFCIUFNFG-QHCPKHFHSA-N -1 1 520.994 6.140 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008973765 553195579 /nfs/dbraw/zinc/19/55/79/553195579.db2.gz KGTNDQIIUPTCBM-DEOSSOPVSA-N -1 1 516.594 6.524 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008981821 553196012 /nfs/dbraw/zinc/19/60/12/553196012.db2.gz PJRQZWCKKRWEAL-QHCPKHFHSA-N -1 1 504.995 6.358 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000008987994 553196790 /nfs/dbraw/zinc/19/67/90/553196790.db2.gz LCIQDRTVGIVKGQ-FQEVSTJZSA-N -1 1 515.443 7.064 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008996549 553197447 /nfs/dbraw/zinc/19/74/47/553197447.db2.gz CCLXWDFYKXNOKF-NRFANRHFSA-N -1 1 506.580 5.153 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009007732 553198351 /nfs/dbraw/zinc/19/83/51/553198351.db2.gz YMAALPSYAPXXLK-DEOSSOPVSA-N -1 1 516.575 5.495 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009007732 553198353 /nfs/dbraw/zinc/19/83/53/553198353.db2.gz YMAALPSYAPXXLK-DEOSSOPVSA-N -1 1 516.575 5.495 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009008173 553198559 /nfs/dbraw/zinc/19/85/59/553198559.db2.gz OSSVOAFQNRIODD-OAQYLSRUSA-N -1 1 506.536 5.088 50 30 KKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009008545 553199040 /nfs/dbraw/zinc/19/90/40/553199040.db2.gz ASPBOUMPSRNIHW-JOCHJYFZSA-N -1 1 518.591 5.284 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009008545 553199041 /nfs/dbraw/zinc/19/90/41/553199041.db2.gz ASPBOUMPSRNIHW-JOCHJYFZSA-N -1 1 518.591 5.284 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3ccccc3F)sc2c1 ZINC000009009202 553199314 /nfs/dbraw/zinc/19/93/14/553199314.db2.gz CZHYSERDTBYCHM-QHCPKHFHSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccccc3F)sc2c1 ZINC000009009202 553199315 /nfs/dbraw/zinc/19/93/15/553199315.db2.gz CZHYSERDTBYCHM-QHCPKHFHSA-N -1 1 504.539 5.544 50 30 KKEAMM Nc1ccc(Cc2ccc(/N=C3\c4ccccc4C(=O)c4ccc(NC(=O)c5ccccc5)c([O-])c43)cc2)cc1 ZINC000009034185 553201852 /nfs/dbraw/zinc/20/18/52/553201852.db2.gz XZZLWBZWEDGGNS-XKMRCYARSA-N -1 1 523.592 6.531 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009042329 553202677 /nfs/dbraw/zinc/20/26/77/553202677.db2.gz RGGHHWSGGXDHQG-QFIPXVFZSA-N -1 1 502.523 5.313 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009065252 553205669 /nfs/dbraw/zinc/20/56/69/553205669.db2.gz FBJVZPXALWIJFT-VWLOTQADSA-N -1 1 514.603 6.185 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009065073 553205755 /nfs/dbraw/zinc/20/57/55/553205755.db2.gz UHLQQBASEQOHMF-HSZRJFAPSA-N -1 1 520.994 6.140 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009068248 553206628 /nfs/dbraw/zinc/20/66/28/553206628.db2.gz RQYFQOORJHTBID-OAQYLSRUSA-N -1 1 508.577 5.167 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000009124418 553212842 /nfs/dbraw/zinc/21/28/42/553212842.db2.gz BNKTYIZDSIBFQE-WHEQGISXSA-N -1 1 504.589 5.473 50 30 KKEAMM CCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2[O-])cc1Cl ZINC000009144540 553213661 /nfs/dbraw/zinc/21/36/61/553213661.db2.gz PTCVDIBNSZZZPX-UVHMKAGCSA-N -1 1 506.227 7.151 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000009160755 553215543 /nfs/dbraw/zinc/21/55/43/553215543.db2.gz UUOHTRFLHDMZFW-HHHXNRCGSA-N -1 1 510.546 6.347 50 30 KKEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009175898 553216191 /nfs/dbraw/zinc/21/61/91/553216191.db2.gz NWOMWZGDDXRFMX-JOCHJYFZSA-N -1 1 520.607 5.508 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000009175898 553216193 /nfs/dbraw/zinc/21/61/93/553216193.db2.gz NWOMWZGDDXRFMX-JOCHJYFZSA-N -1 1 520.607 5.508 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009176868 553216416 /nfs/dbraw/zinc/21/64/16/553216416.db2.gz CTAJVXGSPKQGCE-HSZRJFAPSA-N -1 1 504.558 6.655 50 30 KKEAMM CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009176868 553216418 /nfs/dbraw/zinc/21/64/18/553216418.db2.gz CTAJVXGSPKQGCE-HSZRJFAPSA-N -1 1 504.558 6.655 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000009184930 553217024 /nfs/dbraw/zinc/21/70/24/553217024.db2.gz XFHPMUWCWMYEJP-XMMPIXPASA-N -1 1 500.576 5.795 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000009185673 553217415 /nfs/dbraw/zinc/21/74/15/553217415.db2.gz DDFLZMDHMYDWMN-JOCHJYFZSA-N -1 1 518.591 5.203 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009186808 553217874 /nfs/dbraw/zinc/21/78/74/553217874.db2.gz YLSVJLTYAQARPM-XMMPIXPASA-N -1 1 518.591 6.168 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009232562 553223866 /nfs/dbraw/zinc/22/38/66/553223866.db2.gz ZZIWSQCEJPVQRH-QHCPKHFHSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009232562 553223868 /nfs/dbraw/zinc/22/38/68/553223868.db2.gz ZZIWSQCEJPVQRH-QHCPKHFHSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000009236872 553225830 /nfs/dbraw/zinc/22/58/30/553225830.db2.gz NTKGWCQYRFSESJ-QFIPXVFZSA-N -1 1 506.967 5.750 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009241431 553226400 /nfs/dbraw/zinc/22/64/00/553226400.db2.gz AQDSNEKBBIFEGK-HSZRJFAPSA-N -1 1 520.994 6.140 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000009243099 553226861 /nfs/dbraw/zinc/22/68/61/553226861.db2.gz FVTAQPZBPDHCHS-HSZRJFAPSA-N -1 1 506.580 5.122 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000009270688 553230465 /nfs/dbraw/zinc/23/04/65/553230465.db2.gz UKZSQNDIZDXEMW-OAQYLSRUSA-N -1 1 511.372 5.526 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000009270688 553230467 /nfs/dbraw/zinc/23/04/67/553230467.db2.gz UKZSQNDIZDXEMW-OAQYLSRUSA-N -1 1 511.372 5.526 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009271455 553231021 /nfs/dbraw/zinc/23/10/21/553231021.db2.gz SONZRYPHLNXFCZ-QHCPKHFHSA-N -1 1 516.550 5.622 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009271455 553231022 /nfs/dbraw/zinc/23/10/22/553231022.db2.gz SONZRYPHLNXFCZ-QHCPKHFHSA-N -1 1 516.550 5.622 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000009272384 553231786 /nfs/dbraw/zinc/23/17/86/553231786.db2.gz ZGQZRMSPKSEZQJ-HSZRJFAPSA-N -1 1 523.427 6.641 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000009275382 553232802 /nfs/dbraw/zinc/23/28/02/553232802.db2.gz UAAOEMMZVQLXNB-QFIPXVFZSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000009275382 553232803 /nfs/dbraw/zinc/23/28/03/553232803.db2.gz UAAOEMMZVQLXNB-QFIPXVFZSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009290920 553234500 /nfs/dbraw/zinc/23/45/00/553234500.db2.gz QHENEMAXFPOTIF-IVCQMTBJSA-N -1 1 512.587 5.720 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009292008 553234827 /nfs/dbraw/zinc/23/48/27/553234827.db2.gz 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/nfs/dbraw/zinc/24/23/08/553242308.db2.gz OCVSHOGNUFZFGR-IBGZPJMESA-N -1 1 509.540 5.051 50 30 KKEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1ccc(O)cc1 ZINC000009360629 553248590 /nfs/dbraw/zinc/24/85/90/553248590.db2.gz KBNISJHISPYFMC-IBGZPJMESA-N -1 1 509.540 5.051 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000009370593 553250148 /nfs/dbraw/zinc/25/01/48/553250148.db2.gz VUUPIFWUJVYFIC-HXUWFJFHSA-N -1 1 509.356 5.981 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009374263 553250682 /nfs/dbraw/zinc/25/06/82/553250682.db2.gz HXNHKWPZMVCTRT-MYYSRTQBSA-N -1 1 500.551 5.850 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000009374906 553251201 /nfs/dbraw/zinc/25/12/01/553251201.db2.gz MFJVWRHSOJOOPA-ZLOXQWCVSA-N -1 1 518.978 5.762 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000009374906 553251204 /nfs/dbraw/zinc/25/12/04/553251204.db2.gz MFJVWRHSOJOOPA-ZLOXQWCVSA-N -1 1 518.978 5.762 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009380200 553251809 /nfs/dbraw/zinc/25/18/09/553251809.db2.gz JVALQYIPCJGNNO-OAQYLSRUSA-N -1 1 505.393 6.150 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(C)cc2)s1 ZINC000009463225 553268933 /nfs/dbraw/zinc/26/89/33/553268933.db2.gz BQUSZPUTVOPIQK-RUZDIDTESA-N -1 1 511.603 5.825 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(C)cc2)s1 ZINC000009463225 553268935 /nfs/dbraw/zinc/26/89/35/553268935.db2.gz BQUSZPUTVOPIQK-RUZDIDTESA-N -1 1 511.603 5.825 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000009471271 553269814 /nfs/dbraw/zinc/26/98/14/553269814.db2.gz ACWIKVNBVZBESP-QHCPKHFHSA-N -1 1 518.978 5.812 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000009471271 553269816 /nfs/dbraw/zinc/26/98/16/553269816.db2.gz ACWIKVNBVZBESP-QHCPKHFHSA-N -1 1 518.978 5.812 50 30 KKEAMM CN(C)c1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000009781058 553307790 /nfs/dbraw/zinc/30/77/90/553307790.db2.gz XCDOGDYAMCJJDD-JOCHJYFZSA-N -1 1 504.631 5.880 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)cc1C ZINC000009994091 553324396 /nfs/dbraw/zinc/32/43/96/553324396.db2.gz OGVJAERZKWTLJA-OAQYLSRUSA-N -1 1 522.554 5.033 50 30 KKEAMM [O-]/N=C(/Nc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1)c1ncc(C(F)(F)F)cc1Cl ZINC000012957111 553429896 /nfs/dbraw/zinc/42/98/96/553429896.db2.gz XCCPPKAPWIAODZ-UHFFFAOYSA-N -1 1 511.209 6.861 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(O)c(OC)c2)c1 ZINC000013550139 553470230 /nfs/dbraw/zinc/47/02/30/553470230.db2.gz SLCJGXUKUYFWIR-XMMPIXPASA-N -1 1 516.575 5.419 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000013552406 553470705 /nfs/dbraw/zinc/47/07/05/553470705.db2.gz AZQDKKZSUIXEPL-QHCPKHFHSA-N -1 1 504.995 6.304 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000013552406 553470707 /nfs/dbraw/zinc/47/07/07/553470707.db2.gz AZQDKKZSUIXEPL-QHCPKHFHSA-N -1 1 504.995 6.304 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000013553027 553470881 /nfs/dbraw/zinc/47/08/81/553470881.db2.gz VTTGNBFACRZYAP-XMMPIXPASA-N -1 1 516.575 5.413 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)c(C)c1 ZINC000016701029 553574732 /nfs/dbraw/zinc/57/47/32/553574732.db2.gz WUIUQXBVCZQHKB-NRFANRHFSA-N -1 1 522.554 5.033 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000016730283 553576474 /nfs/dbraw/zinc/57/64/74/553576474.db2.gz IWQLOBGCBOXKES-IBGZPJMESA-N -1 1 514.962 5.512 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732183 553577553 /nfs/dbraw/zinc/57/75/53/553577553.db2.gz UXLPHCDLEXTZHD-JOCHJYFZSA-N -1 1 504.564 5.010 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000016732183 553577555 /nfs/dbraw/zinc/57/75/55/553577555.db2.gz UXLPHCDLEXTZHD-JOCHJYFZSA-N -1 1 504.564 5.010 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000016805385 553582807 /nfs/dbraw/zinc/58/28/07/553582807.db2.gz LBZQONRAOMYBRJ-HXUWFJFHSA-N -1 1 510.518 5.164 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000016805531 553582979 /nfs/dbraw/zinc/58/29/79/553582979.db2.gz RSUZBMOOQGFHSP-NRFANRHFSA-N -1 1 508.571 5.592 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000016805531 553582982 /nfs/dbraw/zinc/58/29/82/553582982.db2.gz RSUZBMOOQGFHSP-NRFANRHFSA-N -1 1 508.571 5.592 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000016805529 553583058 /nfs/dbraw/zinc/58/30/58/553583058.db2.gz YGFOVXFMUWQLDA-JOCHJYFZSA-N -1 1 522.598 5.982 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000016805529 553583060 /nfs/dbraw/zinc/58/30/60/553583060.db2.gz YGFOVXFMUWQLDA-JOCHJYFZSA-N -1 1 522.598 5.982 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000016805533 553583069 /nfs/dbraw/zinc/58/30/69/553583069.db2.gz RSUZBMOOQGFHSP-OAQYLSRUSA-N -1 1 508.571 5.592 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000016805533 553583070 /nfs/dbraw/zinc/58/30/70/553583070.db2.gz RSUZBMOOQGFHSP-OAQYLSRUSA-N -1 1 508.571 5.592 50 30 KKEAMM CN(C)c1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000016915030 553583920 /nfs/dbraw/zinc/58/39/20/553583920.db2.gz DIGAOKIPCJIJBH-NRFANRHFSA-N -1 1 503.584 5.013 50 30 KKEAMM CN(C)c1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000016915025 553583928 /nfs/dbraw/zinc/58/39/28/553583928.db2.gz DIGAOKIPCJIJBH-OAQYLSRUSA-N -1 1 503.584 5.013 50 30 KKEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017041210 553587177 /nfs/dbraw/zinc/58/71/77/553587177.db2.gz FGKSDHVLEWLHGO-OAQYLSRUSA-N -1 1 502.596 5.892 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000017242473 553591180 /nfs/dbraw/zinc/59/11/80/553591180.db2.gz SHKUVCSKQSGBSY-HXUWFJFHSA-N -1 1 506.559 5.722 50 30 KKEAMM COc1ccc(OC)c([C@H]2c3c(=O)[n-]c(SCc4ccc(C)cc4C)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000020134421 553592526 /nfs/dbraw/zinc/59/25/26/553592526.db2.gz BVEAKYIZTUEBJK-XMMPIXPASA-N -1 1 531.678 5.897 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc(Cl)cc3)[n-]c(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000020181755 553604604 /nfs/dbraw/zinc/60/46/04/553604604.db2.gz LCINCCMUUXBHFL-FQEVSTJZSA-N -1 1 523.014 6.237 50 30 KKEAMM [O-]c1c(Cl)cc(Cl)c2ccc(NN=Cc3cc(Br)cc(Br)c3O)nc12 ZINC000020615386 553679572 /nfs/dbraw/zinc/67/95/72/553679572.db2.gz AKTKCWWEZTUKHC-AERZKKPOSA-N -1 1 505.981 5.924 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000097951746 553811095 /nfs/dbraw/zinc/81/10/95/553811095.db2.gz HNKJOTIKEFESTF-RUZDIDTESA-N -1 1 542.613 5.881 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097951802 553811406 /nfs/dbraw/zinc/81/14/06/553811406.db2.gz JJVBZKLWXFZYSF-NRFANRHFSA-N -1 1 521.938 5.649 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097952169 553813418 /nfs/dbraw/zinc/81/34/18/553813418.db2.gz MYLQSHIWHGURCM-JOCHJYFZSA-N -1 1 519.966 6.203 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000097952228 553814146 /nfs/dbraw/zinc/81/41/46/553814146.db2.gz VBBXCKHMRUVKPI-AREMUKBSSA-N -1 1 526.614 6.215 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952276 553814348 /nfs/dbraw/zinc/81/43/48/553814348.db2.gz ARRMPBFHFSHIII-DEOSSOPVSA-N -1 1 544.585 5.191 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952276 553814350 /nfs/dbraw/zinc/81/43/50/553814350.db2.gz ARRMPBFHFSHIII-DEOSSOPVSA-N -1 1 544.585 5.191 50 30 KKEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000097952255 553814358 /nfs/dbraw/zinc/81/43/58/553814358.db2.gz OQLRNOXHGFFULW-RUZDIDTESA-N -1 1 533.049 7.084 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000097952255 553814360 /nfs/dbraw/zinc/81/43/60/553814360.db2.gz OQLRNOXHGFFULW-RUZDIDTESA-N -1 1 533.049 7.084 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097952317 553814733 /nfs/dbraw/zinc/81/47/33/553814733.db2.gz PDENFBWSBBKVTQ-JOCHJYFZSA-N -1 1 537.410 6.543 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097952381 553815416 /nfs/dbraw/zinc/81/54/16/553815416.db2.gz RDCUTIUKPJKNRA-SANMLTNESA-N -1 1 544.629 6.194 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccnc2)nc1C ZINC000097952572 553816670 /nfs/dbraw/zinc/81/66/70/553816670.db2.gz CBLPFCZBWJSPQG-RUZDIDTESA-N -1 1 539.613 5.719 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097952548 553816680 /nfs/dbraw/zinc/81/66/80/553816680.db2.gz UDTHFYCXQCZIQD-JOCHJYFZSA-N -1 1 536.631 5.729 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097952548 553816681 /nfs/dbraw/zinc/81/66/81/553816681.db2.gz UDTHFYCXQCZIQD-JOCHJYFZSA-N -1 1 536.631 5.729 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097952962 553818055 /nfs/dbraw/zinc/81/80/55/553818055.db2.gz QKNUXFNPFNQCCM-SANMLTNESA-N -1 1 542.613 5.866 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097953013 553818510 /nfs/dbraw/zinc/81/85/10/553818510.db2.gz IJDHPCWMOZATDR-VWLOTQADSA-N -1 1 544.585 5.258 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097953013 553818512 /nfs/dbraw/zinc/81/85/12/553818512.db2.gz IJDHPCWMOZATDR-VWLOTQADSA-N -1 1 544.585 5.258 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097953006 553818539 /nfs/dbraw/zinc/81/85/39/553818539.db2.gz QGFHJXVWMHBNAI-RUZDIDTESA-N -1 1 528.586 5.421 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000097953125 553819474 /nfs/dbraw/zinc/81/94/74/553819474.db2.gz MWISUUFHUPYTFK-VWLOTQADSA-N -1 1 528.586 5.558 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000097953124 553819530 /nfs/dbraw/zinc/81/95/30/553819530.db2.gz MWISUUFHUPYTFK-RUZDIDTESA-N -1 1 528.586 5.558 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1C ZINC000097954853 553826003 /nfs/dbraw/zinc/82/60/03/553826003.db2.gz UFBBVLSQAXZQGU-QHCPKHFHSA-N -1 1 534.634 5.898 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1C ZINC000097954853 553826005 /nfs/dbraw/zinc/82/60/05/553826005.db2.gz UFBBVLSQAXZQGU-QHCPKHFHSA-N -1 1 534.634 5.898 50 30 KKEAMM CCCCCCCCCCCCCCCCCC[C@H]1CC(=O)N(c2ccc([N-]S(C)(=O)=O)c(O)c2)C1=O ZINC000097954975 553827087 /nfs/dbraw/zinc/82/70/87/553827087.db2.gz OONNEMVXTHLOPR-DEOSSOPVSA-N -1 1 536.779 7.295 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097955011 553827516 /nfs/dbraw/zinc/82/75/16/553827516.db2.gz JPMUENKNBUIAFD-JBEBIEQOSA-N -1 1 543.557 5.319 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097955078 553828401 /nfs/dbraw/zinc/82/84/01/553828401.db2.gz JPMNYKVBWSIGRX-SANMLTNESA-N -1 1 622.696 5.760 50 30 KKEAMM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955118 553828853 /nfs/dbraw/zinc/82/88/53/553828853.db2.gz XTCCZDXGNQAXNB-BZQUYTCOSA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955118 553828854 /nfs/dbraw/zinc/82/88/54/553828854.db2.gz XTCCZDXGNQAXNB-BZQUYTCOSA-N -1 1 547.032 6.455 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000097955185 553829415 /nfs/dbraw/zinc/82/94/15/553829415.db2.gz PIOZQPXFOJQUMO-MUUNZHRXSA-N -1 1 596.705 6.861 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097955171 553829504 /nfs/dbraw/zinc/82/95/04/553829504.db2.gz KQPYGYLAGMSVCU-UPCLLVRISA-N -1 1 560.628 5.299 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097955171 553829507 /nfs/dbraw/zinc/82/95/07/553829507.db2.gz KQPYGYLAGMSVCU-UPCLLVRISA-N -1 1 560.628 5.299 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097955208 553829866 /nfs/dbraw/zinc/82/98/66/553829866.db2.gz GHQMOSNRYCYSES-SANMLTNESA-N -1 1 618.664 5.312 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000097955197 553829868 /nfs/dbraw/zinc/82/98/68/553829868.db2.gz HLWCUSDINRGWJD-UPCLLVRISA-N -1 1 546.645 5.858 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097955260 553830241 /nfs/dbraw/zinc/83/02/41/553830241.db2.gz FSWZYYONRZLUSZ-MYUZEXMDSA-N -1 1 538.625 6.276 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097955283 553830570 /nfs/dbraw/zinc/83/05/70/553830570.db2.gz CLJYVZNARKAVQD-BSEYFRJRSA-N -1 1 533.005 6.065 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097955281 553830621 /nfs/dbraw/zinc/83/06/21/553830621.db2.gz CLJYVZNARKAVQD-JBEBIEQOSA-N -1 1 533.005 6.065 50 30 KKEAMM Cc1ccc(S(=O)(=O)/N=C(\[O-])c2c(-c3ccccc3)c3c4n2cc(-c2ccc(Cl)cc2)n4CCCC3)cc1 ZINC000097955285 553830749 /nfs/dbraw/zinc/83/07/49/553830749.db2.gz MXWYYEUZQSMYOG-UHFFFAOYSA-N -1 1 544.076 7.066 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097955628 553832019 /nfs/dbraw/zinc/83/20/19/553832019.db2.gz ATCIFEOOTWDWKI-PLTNMMHCSA-N -1 1 604.684 6.990 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000097955638 553832555 /nfs/dbraw/zinc/83/25/55/553832555.db2.gz MFISSRQSOXHHDR-ZAMGYDSWSA-N -1 1 520.969 6.195 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955664 553832576 /nfs/dbraw/zinc/83/25/76/553832576.db2.gz MNDYHPRRHDTCDQ-PUAOIOHZSA-N -1 1 540.597 5.498 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955641 553832584 /nfs/dbraw/zinc/83/25/84/553832584.db2.gz XLCWGWZAAIEWAZ-JBEBIEQOSA-N -1 1 533.005 6.065 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097955714 553833236 /nfs/dbraw/zinc/83/32/36/553833236.db2.gz XHABPQRVFHKLBF-QTEAWJPNSA-N -1 1 592.648 7.121 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097955714 553833239 /nfs/dbraw/zinc/83/32/39/553833239.db2.gz XHABPQRVFHKLBF-QTEAWJPNSA-N -1 1 592.648 7.121 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000097955740 553833537 /nfs/dbraw/zinc/83/35/37/553833537.db2.gz UPOYRDYLGPRMFH-JLCFBVMHSA-N -1 1 534.565 5.040 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955742 553833554 /nfs/dbraw/zinc/83/35/54/553833554.db2.gz UVVKOCZHHIHNEV-JCQPUDPBSA-N -1 1 520.969 6.195 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000097955741 553833597 /nfs/dbraw/zinc/83/35/97/553833597.db2.gz UPOYRDYLGPRMFH-PEBXRYMYSA-N -1 1 534.565 5.040 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955743 553833646 /nfs/dbraw/zinc/83/36/46/553833646.db2.gz UVVKOCZHHIHNEV-ZAMGYDSWSA-N -1 1 520.969 6.195 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955849 553834670 /nfs/dbraw/zinc/83/46/70/553834670.db2.gz BSHIIZCSTUITQC-SGANQWHYSA-N -1 1 528.586 5.420 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097956235 553837046 /nfs/dbraw/zinc/83/70/46/553837046.db2.gz HQUYXDKPWGFUHU-QYBDOPJKSA-N -1 1 524.598 5.828 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097956235 553837048 /nfs/dbraw/zinc/83/70/48/553837048.db2.gz HQUYXDKPWGFUHU-QYBDOPJKSA-N -1 1 524.598 5.828 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097956547 553839429 /nfs/dbraw/zinc/83/94/29/553839429.db2.gz INPODPIXYPKURC-AKJBCIBTSA-N -1 1 542.588 6.107 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097956547 553839430 /nfs/dbraw/zinc/83/94/30/553839430.db2.gz INPODPIXYPKURC-AKJBCIBTSA-N -1 1 542.588 6.107 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956783 553841871 /nfs/dbraw/zinc/84/18/71/553841871.db2.gz NTXBNJNJSYHNIM-VWLOTQADSA-N -1 1 570.623 6.130 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC=C)c(C)c3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000097956877 553842968 /nfs/dbraw/zinc/84/29/68/553842968.db2.gz DTELDXNDMWEIEO-HSZRJFAPSA-N -1 1 565.047 6.104 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000097956886 553842973 /nfs/dbraw/zinc/84/29/73/553842973.db2.gz VAPMJTSSWBEJHV-VWLOTQADSA-N -1 1 574.655 5.849 50 30 KKEAMM Cc1ccc(-c2n[nH]c(=S)n2N=Cc2c(Br)cc(Br)c([O-])c2Br)cc1 ZINC000097964190 553896855 /nfs/dbraw/zinc/89/68/55/553896855.db2.gz GQOULIAUMNUIMJ-IFRROFPPSA-N -1 1 547.070 5.791 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000097966935 553911978 /nfs/dbraw/zinc/91/19/78/553911978.db2.gz YSXGXWWJIBTCAX-MHZLTWQESA-N -1 1 582.678 6.607 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(C)cc2)nc1C ZINC000097966935 553911979 /nfs/dbraw/zinc/91/19/79/553911979.db2.gz YSXGXWWJIBTCAX-MHZLTWQESA-N -1 1 582.678 6.607 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000097967002 553912679 /nfs/dbraw/zinc/91/26/79/553912679.db2.gz RFLZQIAGGXAJIO-HHHXNRCGSA-N -1 1 614.676 6.013 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(CC)cc2)nc1C ZINC000097967068 553913406 /nfs/dbraw/zinc/91/34/06/553913406.db2.gz LLKGDUXEAYJESP-MUUNZHRXSA-N -1 1 596.705 6.861 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097967176 553914798 /nfs/dbraw/zinc/91/47/98/553914798.db2.gz MRGHJOHWWRPMKP-MGBGTMOVSA-N -1 1 672.759 8.257 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967242 553915757 /nfs/dbraw/zinc/91/57/57/553915757.db2.gz OWCZTBZZPCETNO-PMERELPUSA-N -1 1 606.656 7.041 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000097967255 553915899 /nfs/dbraw/zinc/91/58/99/553915899.db2.gz NVOBFLMRNJRDTH-HHHXNRCGSA-N -1 1 614.676 6.013 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097967269 553916375 /nfs/dbraw/zinc/91/63/75/553916375.db2.gz JFIHGISKMZVRQQ-GDLZYMKVSA-N -1 1 635.138 7.472 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967266 553916397 /nfs/dbraw/zinc/91/63/97/553916397.db2.gz UCUBHESGQFBZIC-QUGAMOGWSA-N -1 1 620.152 6.989 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000097967310 553916686 /nfs/dbraw/zinc/91/66/86/553916686.db2.gz DZENTNQWFCVRFB-HEIROHQZSA-N -1 1 661.805 7.824 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967344 553917161 /nfs/dbraw/zinc/91/71/61/553917161.db2.gz DFEOEXJTMFPHGM-KCWXNJEJSA-N -1 1 627.788 7.424 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097967341 553917249 /nfs/dbraw/zinc/91/72/49/553917249.db2.gz QFFHWUHQLOITMN-PMERELPUSA-N -1 1 654.741 6.872 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967364 553917534 /nfs/dbraw/zinc/91/75/34/553917534.db2.gz OLYIFRFKODBTJX-RBSBEOHCSA-N -1 1 600.693 6.599 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967363 553917688 /nfs/dbraw/zinc/91/76/88/553917688.db2.gz RXSXRMPGJGOMKV-WRHNGFHOSA-N -1 1 664.205 7.388 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967370 553917693 /nfs/dbraw/zinc/91/76/93/553917693.db2.gz QZGMFLBIMAGHDE-YMGMXPECSA-N -1 1 586.666 6.209 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000097967457 553918942 /nfs/dbraw/zinc/91/89/42/553918942.db2.gz JRKIGLPJKGMXEQ-APYJYERMSA-N -1 1 602.712 7.598 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967504 553919385 /nfs/dbraw/zinc/91/93/85/553919385.db2.gz NBCMWMRHEFYBPT-HUBRWUETSA-N -1 1 707.874 8.668 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097967515 553919522 /nfs/dbraw/zinc/91/95/22/553919522.db2.gz ZERQKSOSMFROFS-WRHNGFHOSA-N -1 1 570.667 6.590 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000097967521 553919766 /nfs/dbraw/zinc/91/97/66/553919766.db2.gz UPIFVRZCAYIMPN-AOXBRHMESA-N -1 1 721.901 8.914 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000097967522 553919799 /nfs/dbraw/zinc/91/97/99/553919799.db2.gz UPIFVRZCAYIMPN-CGDLVVIGSA-N -1 1 721.901 8.914 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967565 553920177 /nfs/dbraw/zinc/92/01/77/553920177.db2.gz GYKHENBMFVNPET-ROTAYESASA-N -1 1 612.748 7.679 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967606 553920495 /nfs/dbraw/zinc/92/04/95/553920495.db2.gz YFLJRCRWEHLJFX-ACSYHNTCSA-N -1 1 645.778 7.501 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967610 553920575 /nfs/dbraw/zinc/92/05/75/553920575.db2.gz SGPLLRQOKWLXMN-SOKVYYICSA-N -1 1 554.624 5.976 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967602 553920588 /nfs/dbraw/zinc/92/05/88/553920588.db2.gz UBDJPFNAJVDIDI-ACSYHNTCSA-N -1 1 662.233 8.015 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097967618 553920941 /nfs/dbraw/zinc/92/09/41/553920941.db2.gz MSGYGRNGFPCIAK-GTJPDFRWSA-N -1 1 629.485 5.211 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097967655 553921404 /nfs/dbraw/zinc/92/14/04/553921404.db2.gz LZRYSKVQLKYAJP-DWXRJYCRSA-N -1 1 585.707 6.254 50 30 KKEAMM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097967695 553921804 /nfs/dbraw/zinc/92/18/04/553921804.db2.gz VYSLINBLAANUHM-QPHCHLROSA-N -1 1 622.674 7.129 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097967695 553921809 /nfs/dbraw/zinc/92/18/09/553921809.db2.gz VYSLINBLAANUHM-QPHCHLROSA-N -1 1 622.674 7.129 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000097967686 553921852 /nfs/dbraw/zinc/92/18/52/553921852.db2.gz WSXWKYRSCBLMHF-JIYROHSKSA-N -1 1 685.868 8.069 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967719 553922271 /nfs/dbraw/zinc/92/22/71/553922271.db2.gz AKPYIBNLIPDZIL-WRGVRERRSA-N -1 1 598.721 7.289 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097967747 553922663 /nfs/dbraw/zinc/92/26/63/553922663.db2.gz CUMUMGYDMBJQRI-GDJIYFAZSA-N -1 1 554.668 6.890 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967741 553922874 /nfs/dbraw/zinc/92/28/74/553922874.db2.gz OKRLTLJLJVLJQX-HZAQMHFWSA-N -1 1 633.166 7.880 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967741 553922878 /nfs/dbraw/zinc/92/28/78/553922878.db2.gz OKRLTLJLJVLJQX-HZAQMHFWSA-N -1 1 633.166 7.880 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967789 553923033 /nfs/dbraw/zinc/92/30/33/553923033.db2.gz PYDWLZXQVPBKTC-KWMCUTETSA-N -1 1 583.666 5.931 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967789 553923036 /nfs/dbraw/zinc/92/30/36/553923036.db2.gz PYDWLZXQVPBKTC-KWMCUTETSA-N -1 1 583.666 5.931 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccnc2)nc1C ZINC000097967769 553923047 /nfs/dbraw/zinc/92/30/47/553923047.db2.gz FTASXGOZOJOBOQ-XMMPIXPASA-N -1 1 555.612 5.303 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967797 553923069 /nfs/dbraw/zinc/92/30/69/553923069.db2.gz XXUBZLYDLVEBPR-SLQAJWMNSA-N -1 1 584.694 6.980 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000097967823 553923649 /nfs/dbraw/zinc/92/36/49/553923649.db2.gz TYNPTQDHOILHJX-SSEXGKCCSA-N -1 1 691.803 7.347 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097967841 553923997 /nfs/dbraw/zinc/92/39/97/553923997.db2.gz BZMSPPBTQPMMFS-XDBZFTIUSA-N -1 1 570.667 6.590 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967849 553924123 /nfs/dbraw/zinc/92/41/23/553924123.db2.gz VUOHDBJGJHSMNN-RBSBEOHCSA-N -1 1 712.677 8.431 50 30 KKEAMM C[C@@H]1CCC[C@H](C)N1c1nc(=NN=Cc2cccc([N+](=O)[O-])c2[O-])nc(N(c2ccccc2)c2ccccc2)[nH]1 ZINC000033353335 553924524 /nfs/dbraw/zinc/92/45/24/553924524.db2.gz WKCAIEXFIOELPP-IMCXOGCVSA-N -1 1 538.612 6.169 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097967895 553924940 /nfs/dbraw/zinc/92/49/40/553924940.db2.gz GWXTVVNYTLHPRU-SANMLTNESA-N -1 1 668.580 7.256 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967914 553924990 /nfs/dbraw/zinc/92/49/90/553924990.db2.gz MJACMWCNKSALDP-SANMLTNESA-N -1 1 654.597 7.815 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967939 553925466 /nfs/dbraw/zinc/92/54/66/553925466.db2.gz AOBHFDSGMBLJGL-NDEPHWFRSA-N -1 1 647.750 6.949 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967974 553925769 /nfs/dbraw/zinc/92/57/69/553925769.db2.gz HNZOOVNIBPEEAI-XGCWNURASA-N -1 1 652.625 8.367 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967974 553925772 /nfs/dbraw/zinc/92/57/72/553925772.db2.gz HNZOOVNIBPEEAI-XGCWNURASA-N -1 1 652.625 8.367 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097967982 553925786 /nfs/dbraw/zinc/92/57/86/553925786.db2.gz BPKNZSOEMHGBBX-CRYYWNKWSA-N -1 1 558.631 6.721 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000097967982 553925789 /nfs/dbraw/zinc/92/57/89/553925789.db2.gz BPKNZSOEMHGBBX-CRYYWNKWSA-N -1 1 558.631 6.721 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967972 553925811 /nfs/dbraw/zinc/92/58/11/553925811.db2.gz HNZOOVNIBPEEAI-CRYYWNKWSA-N -1 1 652.625 8.367 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967972 553925814 /nfs/dbraw/zinc/92/58/14/553925814.db2.gz HNZOOVNIBPEEAI-CRYYWNKWSA-N -1 1 652.625 8.367 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097968021 553926679 /nfs/dbraw/zinc/92/66/79/553926679.db2.gz LZIYXHLXQALPHM-SSEXGKCCSA-N -1 1 649.750 6.964 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968047 553927147 /nfs/dbraw/zinc/92/71/47/553927147.db2.gz AQAXVAHUTIQKJC-LJAQVGFWSA-N -1 1 694.231 7.616 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097968075 553927430 /nfs/dbraw/zinc/92/74/30/553927430.db2.gz SFGQTMNXTYLUAO-SANMLTNESA-N -1 1 592.670 5.786 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968110 553927991 /nfs/dbraw/zinc/92/79/91/553927991.db2.gz WHKFJHXJUSXTKU-PMERELPUSA-N -1 1 651.766 7.327 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968133 553927997 /nfs/dbraw/zinc/92/79/97/553927997.db2.gz PEUOMTJWLVRVPL-SANMLTNESA-N -1 1 599.690 5.949 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968188 553928635 /nfs/dbraw/zinc/92/86/35/553928635.db2.gz YCVIAAHSRVAXCP-SSEXGKCCSA-N -1 1 649.750 7.103 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)s2)cc1 ZINC000097968193 553928679 /nfs/dbraw/zinc/92/86/79/553928679.db2.gz KDUXCQLNFPCQDX-DEOSSOPVSA-N -1 1 592.098 6.346 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968217 553929170 /nfs/dbraw/zinc/92/91/70/553929170.db2.gz RPTUOCPKZWPEEX-NDEPHWFRSA-N -1 1 698.650 8.260 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968248 553929640 /nfs/dbraw/zinc/92/96/40/553929640.db2.gz AFARTXWHXQXXBD-RUZDIDTESA-N -1 1 605.669 5.922 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968255 553929662 /nfs/dbraw/zinc/92/96/62/553929662.db2.gz BUYXYRYKBAOYBW-MHZLTWQESA-N -1 1 633.723 6.703 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097968322 553930292 /nfs/dbraw/zinc/93/02/92/553930292.db2.gz STUACRWXCGLULW-VKGTZQKMSA-N -1 1 634.751 6.702 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097968334 553930726 /nfs/dbraw/zinc/93/07/26/553930726.db2.gz XFPJLLJNVZNYBO-MHZLTWQESA-N -1 1 606.697 6.032 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968376 553931177 /nfs/dbraw/zinc/93/11/77/553931177.db2.gz WJOFJUSIWLHHAV-QTEAWJPNSA-N -1 1 726.704 8.821 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097968377 553931199 /nfs/dbraw/zinc/93/11/99/553931199.db2.gz NMRUTGQHEPNSQZ-RUZDIDTESA-N -1 1 562.644 5.777 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097968385 553931898 /nfs/dbraw/zinc/93/18/98/553931898.db2.gz KICWYYPJCWGRMX-HSZRJFAPSA-N -1 1 612.516 6.691 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097968392 553932018 /nfs/dbraw/zinc/93/20/18/553932018.db2.gz ZFDHVNXXVPOGMI-JMQGSBJISA-N -1 1 609.704 7.229 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000097969167 553937463 /nfs/dbraw/zinc/93/74/63/553937463.db2.gz LVGMFGYIHJAUCX-CRICUBBOSA-N -1 1 574.655 5.689 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000097969167 553937466 /nfs/dbraw/zinc/93/74/66/553937466.db2.gz LVGMFGYIHJAUCX-CRICUBBOSA-N -1 1 574.655 5.689 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969164 553937552 /nfs/dbraw/zinc/93/75/52/553937552.db2.gz VILAKKIEPVUFTC-NDEPHWFRSA-N -1 1 658.729 6.324 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969194 553937818 /nfs/dbraw/zinc/93/78/18/553937818.db2.gz NUSWFWKZBZNRLE-OLILMLBXSA-N -1 1 662.233 8.159 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969244 553938208 /nfs/dbraw/zinc/93/82/08/553938208.db2.gz SBZJIAGMQCPIMT-HMILPKGGSA-N -1 1 631.751 7.255 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969226 553938277 /nfs/dbraw/zinc/93/82/77/553938277.db2.gz MBVPNRQPYLXGBK-HHHXNRCGSA-N -1 1 644.702 5.934 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969220 553938440 /nfs/dbraw/zinc/93/84/40/553938440.db2.gz QXRKLODPIHWLMY-RKOGDMNLSA-N -1 1 591.085 6.853 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969220 553938443 /nfs/dbraw/zinc/93/84/43/553938443.db2.gz QXRKLODPIHWLMY-RKOGDMNLSA-N -1 1 591.085 6.853 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097969332 553939585 /nfs/dbraw/zinc/93/95/85/553939585.db2.gz DURRCBRGTBIONN-JBEBIEQOSA-N -1 1 577.456 6.174 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097969331 553939653 /nfs/dbraw/zinc/93/96/53/553939653.db2.gz DURRCBRGTBIONN-BSEYFRJRSA-N -1 1 577.456 6.174 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969357 553940074 /nfs/dbraw/zinc/94/00/74/553940074.db2.gz QUSXHHOYRTUXTC-ACSYHNTCSA-N -1 1 662.233 8.015 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969345 553940222 /nfs/dbraw/zinc/94/02/22/553940222.db2.gz DNFMFETXZLXHDJ-WHLCRQNOSA-N -1 1 554.668 6.808 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969366 553940227 /nfs/dbraw/zinc/94/02/27/553940227.db2.gz ZCAPDYOJLPDYGN-PRAQEBQASA-N -1 1 635.767 7.489 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969366 553940229 /nfs/dbraw/zinc/94/02/29/553940229.db2.gz ZCAPDYOJLPDYGN-PRAQEBQASA-N -1 1 635.767 7.489 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097969576 553942639 /nfs/dbraw/zinc/94/26/39/553942639.db2.gz VSJXUWWXBUDXBC-FYSMJZIKSA-N -1 1 559.644 6.076 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097969609 553942884 /nfs/dbraw/zinc/94/28/84/553942884.db2.gz WWYFWOHMVRIIKD-WRHNGFHOSA-N -1 1 568.651 6.366 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969610 553942905 /nfs/dbraw/zinc/94/29/05/553942905.db2.gz GHLYONRGFSKFJU-HHHXNRCGSA-N -1 1 634.707 5.926 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000097969639 553943412 /nfs/dbraw/zinc/94/34/12/553943412.db2.gz BSCVITUIORJHOX-XMMPIXPASA-N -1 1 576.627 5.137 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969634 553943496 /nfs/dbraw/zinc/94/34/96/553943496.db2.gz ACJNYJQJTNARRZ-PWECECGKSA-N -1 1 563.031 6.073 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969634 553943498 /nfs/dbraw/zinc/94/34/98/553943498.db2.gz ACJNYJQJTNARRZ-PWECECGKSA-N -1 1 563.031 6.073 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097969711 553943753 /nfs/dbraw/zinc/94/37/53/553943753.db2.gz OIBTWMBFKZFNCJ-WJOKGBTCSA-N -1 1 636.682 6.447 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097969714 553943831 /nfs/dbraw/zinc/94/38/31/553943831.db2.gz UQRHJUPLFOVOGR-SOKVYYICSA-N -1 1 556.640 6.118 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000097969727 553944103 /nfs/dbraw/zinc/94/41/03/553944103.db2.gz UWMVUGWZDZLXJR-YTTGMZPUSA-N -1 1 634.710 7.137 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969773 553944516 /nfs/dbraw/zinc/94/45/16/553944516.db2.gz DISQCVSQOMEVOF-WRONEBCDSA-N -1 1 641.771 6.900 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969776 553944635 /nfs/dbraw/zinc/94/46/35/553944635.db2.gz DTZRQOHKMWMERM-MRDQGFSESA-N -1 1 603.697 6.475 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097969766 553944648 /nfs/dbraw/zinc/94/46/48/553944648.db2.gz OLPMHUOXIYCYMM-HZAQMHFWSA-N -1 1 590.657 7.204 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969797 553944923 /nfs/dbraw/zinc/94/49/23/553944923.db2.gz YHCBRCGWUKOMAX-ACSYHNTCSA-N -1 1 645.778 7.645 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969826 553945625 /nfs/dbraw/zinc/94/56/25/553945625.db2.gz OWHLHBIBEKTIQW-QUGAMOGWSA-N -1 1 620.152 6.989 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969809 553945663 /nfs/dbraw/zinc/94/56/63/553945663.db2.gz XHAMUIFALSWGGX-NDEPHWFRSA-N -1 1 586.666 6.284 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000097969809 553945664 /nfs/dbraw/zinc/94/56/64/553945664.db2.gz XHAMUIFALSWGGX-NDEPHWFRSA-N -1 1 586.666 6.284 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097969851 553945962 /nfs/dbraw/zinc/94/59/62/553945962.db2.gz PZDCVIWSIFGELU-ADSBAMQRSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097969851 553945965 /nfs/dbraw/zinc/94/59/65/553945965.db2.gz PZDCVIWSIFGELU-ADSBAMQRSA-N -1 1 614.720 6.989 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097969903 553946896 /nfs/dbraw/zinc/94/68/96/553946896.db2.gz PZTKHLNGNIMOAY-HZAQMHFWSA-N -1 1 592.648 7.121 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000097969903 553946898 /nfs/dbraw/zinc/94/68/98/553946898.db2.gz PZTKHLNGNIMOAY-HZAQMHFWSA-N -1 1 592.648 7.121 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097969929 553946926 /nfs/dbraw/zinc/94/69/26/553946926.db2.gz RNNWUVCNSWVOAV-SHACYNPGSA-N -1 1 561.015 5.843 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969907 553946934 /nfs/dbraw/zinc/94/69/34/553946934.db2.gz VVECYNPUMUNUOT-LDLUVENISA-N -1 1 619.139 7.634 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097969907 553946937 /nfs/dbraw/zinc/94/69/37/553946937.db2.gz VVECYNPUMUNUOT-LDLUVENISA-N -1 1 619.139 7.634 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969934 553947351 /nfs/dbraw/zinc/94/73/51/553947351.db2.gz ZAXUHVPMBSINAN-QUGAMOGWSA-N -1 1 554.624 5.806 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097969931 553947397 /nfs/dbraw/zinc/94/73/97/553947397.db2.gz RNNWUVCNSWVOAV-LFPIHBKWSA-N -1 1 561.015 5.843 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097969949 553947449 /nfs/dbraw/zinc/94/74/49/553947449.db2.gz JAGFUGMDQSLALB-YTTGMZPUSA-N -1 1 650.709 6.837 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097969974 553947655 /nfs/dbraw/zinc/94/76/55/553947655.db2.gz HPIFBDUJHKNDTA-PVPMGCCUSA-N -1 1 558.612 5.428 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097969983 553947677 /nfs/dbraw/zinc/94/76/77/553947677.db2.gz QYCCUQNGZKWEFR-GFJKYASSSA-N -1 1 642.774 7.769 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097970017 553948160 /nfs/dbraw/zinc/94/81/60/553948160.db2.gz WVGIFWNHSUAYPB-LJAQVGFWSA-N -1 1 640.714 6.482 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970009 553948254 /nfs/dbraw/zinc/94/82/54/553948254.db2.gz XCXVNGFHBWUOPR-URAOTHONSA-N -1 1 655.798 7.209 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000097970046 553948391 /nfs/dbraw/zinc/94/83/91/553948391.db2.gz IJEYLKQMARZSCU-SONOPUAISA-N -1 1 584.694 6.899 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097970085 553948936 /nfs/dbraw/zinc/94/89/36/553948936.db2.gz NTIWBJYMIOKGIL-CLYVBNDRSA-N -1 1 634.179 7.379 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097970059 553948978 /nfs/dbraw/zinc/94/89/78/553948978.db2.gz NNCXIDOEKGINQL-QYBDOPJKSA-N -1 1 613.717 6.032 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097970083 553949095 /nfs/dbraw/zinc/94/90/95/553949095.db2.gz NTIWBJYMIOKGIL-MYUZEXMDSA-N -1 1 634.179 7.379 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970093 553949620 /nfs/dbraw/zinc/94/96/20/553949620.db2.gz ZQCDVDKJXAEKPK-UKPGIYTDSA-N -1 1 612.748 7.535 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970154 553950433 /nfs/dbraw/zinc/95/04/33/553950433.db2.gz JZYLIHHAJMSMOA-AREMUKBSSA-N -1 1 556.596 5.424 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970154 553950436 /nfs/dbraw/zinc/95/04/36/553950436.db2.gz JZYLIHHAJMSMOA-AREMUKBSSA-N -1 1 556.596 5.424 50 30 KKEAMM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970211 553950846 /nfs/dbraw/zinc/95/08/46/553950846.db2.gz WIYCYUVWPIOKAT-QLXKLKPCSA-N -1 1 606.697 5.922 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970211 553950848 /nfs/dbraw/zinc/95/08/48/553950848.db2.gz WIYCYUVWPIOKAT-QLXKLKPCSA-N -1 1 606.697 5.922 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970249 553951593 /nfs/dbraw/zinc/95/15/93/553951593.db2.gz MHLZOTAOWYRUMM-VKGTZQKMSA-N -1 1 631.751 7.255 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097970288 553951959 /nfs/dbraw/zinc/95/19/59/553951959.db2.gz QKPOOZSRHXJWID-SGANQWHYSA-N -1 1 668.580 7.030 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970302 553951975 /nfs/dbraw/zinc/95/19/75/553951975.db2.gz SLPZXFOCVZWNEF-AFJIDDCJSA-N -1 1 645.778 7.501 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097970289 553952133 /nfs/dbraw/zinc/95/21/33/553952133.db2.gz QKPOOZSRHXJWID-ODCWNRFASA-N -1 1 668.580 7.030 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097970327 553952375 /nfs/dbraw/zinc/95/23/75/553952375.db2.gz LTAASBYYFKPCPE-QTEAWJPNSA-N -1 1 624.715 6.738 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097970327 553952377 /nfs/dbraw/zinc/95/23/77/553952377.db2.gz LTAASBYYFKPCPE-QTEAWJPNSA-N -1 1 624.715 6.738 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000097970328 553952421 /nfs/dbraw/zinc/95/24/21/553952421.db2.gz HBUNGEMVEMRKAO-YHAMSUFESA-N -1 1 572.639 5.737 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097970325 553952588 /nfs/dbraw/zinc/95/25/88/553952588.db2.gz LTAASBYYFKPCPE-ADSBAMQRSA-N -1 1 624.715 6.738 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097970325 553952590 /nfs/dbraw/zinc/95/25/90/553952590.db2.gz LTAASBYYFKPCPE-ADSBAMQRSA-N -1 1 624.715 6.738 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097970395 553953248 /nfs/dbraw/zinc/95/32/48/553953248.db2.gz MWFWBZZTTIYVNL-LJAQVGFWSA-N -1 1 598.677 6.431 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000097970423 553953821 /nfs/dbraw/zinc/95/38/21/553953821.db2.gz FBPLCFWUZIQWGS-DLUDVSRJSA-N -1 1 593.057 6.082 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970419 553953831 /nfs/dbraw/zinc/95/38/31/553953831.db2.gz XUDSBENVHAIAHX-XMHCIUCPSA-N -1 1 641.496 5.377 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970453 553954212 /nfs/dbraw/zinc/95/42/12/553954212.db2.gz ZBRAWKBUSFEZJG-ICACTRECSA-N -1 1 663.821 8.269 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970467 553954512 /nfs/dbraw/zinc/95/45/12/553954512.db2.gz NKQAKJWBUKCAST-HPGBDJQBSA-N -1 1 603.096 7.020 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970467 553954515 /nfs/dbraw/zinc/95/45/15/553954515.db2.gz NKQAKJWBUKCAST-HPGBDJQBSA-N -1 1 603.096 7.020 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970476 553954542 /nfs/dbraw/zinc/95/45/42/553954542.db2.gz BZLPTEFJJCHWLY-WHLCRQNOSA-N -1 1 648.206 7.769 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970484 553954588 /nfs/dbraw/zinc/95/45/88/553954588.db2.gz VVDLXOGUDOGWEI-ROTAYESASA-N -1 1 647.778 7.655 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970482 553954671 /nfs/dbraw/zinc/95/46/71/553954671.db2.gz VVDLXOGUDOGWEI-UKPGIYTDSA-N -1 1 647.778 7.655 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970458 553954701 /nfs/dbraw/zinc/95/47/01/553954701.db2.gz PCEVXAMAPWSBRQ-HMILPKGGSA-N -1 1 610.688 6.314 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970458 553954704 /nfs/dbraw/zinc/95/47/04/553954704.db2.gz PCEVXAMAPWSBRQ-HMILPKGGSA-N -1 1 610.688 6.314 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970501 553954899 /nfs/dbraw/zinc/95/48/99/553954899.db2.gz GLMUQGRYQABKGF-NSYGIPOTSA-N -1 1 576.671 5.769 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970501 553954902 /nfs/dbraw/zinc/95/49/02/553954902.db2.gz GLMUQGRYQABKGF-NSYGIPOTSA-N -1 1 576.671 5.769 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970514 553954952 /nfs/dbraw/zinc/95/49/52/553954952.db2.gz RRCHHMLAVJLNHH-UULLZXFKSA-N -1 1 605.112 7.244 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097970514 553954954 /nfs/dbraw/zinc/95/49/54/553954954.db2.gz RRCHHMLAVJLNHH-UULLZXFKSA-N -1 1 605.112 7.244 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000097970544 553955601 /nfs/dbraw/zinc/95/56/01/553955601.db2.gz BATUKNKMXGSKIR-PIIWDFAUSA-N -1 1 597.762 7.369 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000097970544 553955602 /nfs/dbraw/zinc/95/56/02/553955602.db2.gz BATUKNKMXGSKIR-PIIWDFAUSA-N -1 1 597.762 7.369 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970577 553956001 /nfs/dbraw/zinc/95/60/01/553956001.db2.gz QULRYCOPLJCSQP-WWOZWPLTSA-N -1 1 612.704 6.765 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970558 553956045 /nfs/dbraw/zinc/95/60/45/553956045.db2.gz IYRVJJSGINNTQC-PRAQEBQASA-N -1 1 598.721 7.145 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097970615 553956662 /nfs/dbraw/zinc/95/66/62/553956662.db2.gz QOUZDBZMIDPHES-DNOBIOAJSA-N -1 1 620.724 6.312 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097970642 553956806 /nfs/dbraw/zinc/95/68/06/553956806.db2.gz NHIXYHRVZMFILZ-ADXZGYQBSA-N -1 1 584.694 6.980 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970630 553956902 /nfs/dbraw/zinc/95/69/02/553956902.db2.gz DUOMMFJASQHQCP-UKPGIYTDSA-N -1 1 666.752 6.878 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970630 553956903 /nfs/dbraw/zinc/95/69/03/553956903.db2.gz DUOMMFJASQHQCP-UKPGIYTDSA-N -1 1 666.752 6.878 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970646 553957115 /nfs/dbraw/zinc/95/71/15/553957115.db2.gz FPQWFEQPZUUKFO-AFJIDDCJSA-N -1 1 645.778 7.645 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970725 553957923 /nfs/dbraw/zinc/95/79/23/553957923.db2.gz JUJMHJHOPKWVAU-QJWGWKRISA-N -1 1 628.747 7.379 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970725 553957927 /nfs/dbraw/zinc/95/79/27/553957927.db2.gz JUJMHJHOPKWVAU-QJWGWKRISA-N -1 1 628.747 7.379 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000097970966 553959914 /nfs/dbraw/zinc/95/99/14/553959914.db2.gz PCLFCOFEJRHOIJ-DEOSSOPVSA-N -1 1 562.600 5.122 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000097970966 553959917 /nfs/dbraw/zinc/95/99/17/553959917.db2.gz PCLFCOFEJRHOIJ-DEOSSOPVSA-N -1 1 562.600 5.122 50 30 KKEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3cccs3)cc2)cc1 ZINC000097981454 553994194 /nfs/dbraw/zinc/99/41/94/553994194.db2.gz MKSXGDOUWDZPHB-QGOAFFKASA-N -1 1 525.655 6.606 50 30 KKEAMM C=C1[C@@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)[C@@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000097984638 554017875 /nfs/dbraw/zinc/01/78/75/554017875.db2.gz MRDFBRAAENVBEE-LOYHVIPDSA-N -1 1 731.636 5.992 50 30 KKEAMM C=C1[C@H](C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000097984639 554017935 /nfs/dbraw/zinc/01/79/35/554017935.db2.gz MRDFBRAAENVBEE-KYJUHHDHSA-N -1 1 731.636 5.992 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000098046331 554137922 /nfs/dbraw/zinc/13/79/22/554137922.db2.gz CMVJBPCETGTBFN-NRFANRHFSA-N -1 1 541.025 5.772 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)cc3C)[C@H]2c2ccccc2F)nc1C ZINC000098046326 554138047 /nfs/dbraw/zinc/13/80/47/554138047.db2.gz WKRRQPASHAIKMB-HSZRJFAPSA-N -1 1 550.608 5.814 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000098046426 554138926 /nfs/dbraw/zinc/13/89/26/554138926.db2.gz VQZFPVPHVPKXRV-RUZDIDTESA-N -1 1 654.583 7.694 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000098046482 554139351 /nfs/dbraw/zinc/13/93/51/554139351.db2.gz IHWKUBJZFXGOBQ-RUZDIDTESA-N -1 1 654.583 7.694 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccccc2F)cc1 ZINC000098046466 554139485 /nfs/dbraw/zinc/13/94/85/554139485.db2.gz IZBHNXDZMVVQEM-RUZDIDTESA-N -1 1 610.132 7.585 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000098046462 554139491 /nfs/dbraw/zinc/13/94/91/554139491.db2.gz AEMDFLKQVKZIHP-RUZDIDTESA-N -1 1 626.587 8.099 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000098046527 554140272 /nfs/dbraw/zinc/14/02/72/554140272.db2.gz BVWZVJZTHHOMGK-RUZDIDTESA-N -1 1 569.664 6.677 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000098046514 554140371 /nfs/dbraw/zinc/14/03/71/554140371.db2.gz MUWOEAFZDYTSRQ-MGBGTMOVSA-N -1 1 689.790 8.493 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000098046612 554141660 /nfs/dbraw/zinc/14/16/60/554141660.db2.gz DYQYLAWTNSIDDT-RUZDIDTESA-N -1 1 563.031 6.293 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098046661 554141996 /nfs/dbraw/zinc/14/19/96/554141996.db2.gz OMQBYGWVLXTHBT-OAQYLSRUSA-N -1 1 551.577 5.108 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4cccc(OC)c4o3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000098046642 554142053 /nfs/dbraw/zinc/14/20/53/554142053.db2.gz AVNKWCGFJKKTJX-IBGZPJMESA-N -1 1 538.965 5.429 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccs2)nc1C ZINC000098046690 554142352 /nfs/dbraw/zinc/14/23/52/554142352.db2.gz RCOGPTVTOVZDRR-QHCPKHFHSA-N -1 1 560.653 5.970 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccs3)cc2)c1 ZINC000098046693 554142380 /nfs/dbraw/zinc/14/23/80/554142380.db2.gz BNOGQYXQNXVPLQ-WJOKGBTCSA-N -1 1 661.830 8.715 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccs3)cc2)c1 ZINC000098046692 554142452 /nfs/dbraw/zinc/14/24/52/554142452.db2.gz DJYYNCKXJGUTJD-MHZLTWQESA-N -1 1 629.760 7.701 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000098046670 554142464 /nfs/dbraw/zinc/14/24/64/554142464.db2.gz NRZQRSVEKZQKDM-MHZLTWQESA-N -1 1 582.678 6.607 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000098046670 554142465 /nfs/dbraw/zinc/14/24/65/554142465.db2.gz NRZQRSVEKZQKDM-MHZLTWQESA-N -1 1 582.678 6.607 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(Br)c2)s1 ZINC000098046678 554142471 /nfs/dbraw/zinc/14/24/71/554142471.db2.gz XRRNHWWTPCOJSK-DEOSSOPVSA-N -1 1 576.472 6.279 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000098046710 554142812 /nfs/dbraw/zinc/14/28/12/554142812.db2.gz WWKZJINWBZLDOU-QHCPKHFHSA-N -1 1 577.615 5.664 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000098046696 554142845 /nfs/dbraw/zinc/14/28/45/554142845.db2.gz OYZOXOGNEPPRDN-VWLOTQADSA-N -1 1 570.623 5.614 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1cccnc1)c1ccccc1 ZINC000098046840 554144040 /nfs/dbraw/zinc/14/40/40/554144040.db2.gz MLMHKXOYPYJJHZ-HXUWFJFHSA-N -1 1 521.023 5.662 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccnc3)s2)cc1 ZINC000098046838 554144210 /nfs/dbraw/zinc/14/42/10/554144210.db2.gz OYVCLBXXSYSBLJ-OAQYLSRUSA-N -1 1 535.050 5.970 50 30 KKEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC)cc2)c(C)c1 ZINC000098047103 554146646 /nfs/dbraw/zinc/14/66/46/554146646.db2.gz XHKWMZYXYZBFIT-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC)cc2)c(C)c1 ZINC000098047103 554146649 /nfs/dbraw/zinc/14/66/49/554146649.db2.gz XHKWMZYXYZBFIT-DEOSSOPVSA-N -1 1 562.644 5.683 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047253 554148433 /nfs/dbraw/zinc/14/84/33/554148433.db2.gz IMLLLAVAQCDYJE-GDLZYMKVSA-N -1 1 639.730 7.862 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000098047289 554148877 /nfs/dbraw/zinc/14/88/77/554148877.db2.gz WRAWZMZYHBOSSO-XMMPIXPASA-N -1 1 550.633 5.633 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098047297 554148904 /nfs/dbraw/zinc/14/89/04/554148904.db2.gz BYOCFQJZYXEORY-AREMUKBSSA-N -1 1 613.648 6.207 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047348 554149552 /nfs/dbraw/zinc/14/95/52/554149552.db2.gz IWYXEXXMJVOLMG-HHHXNRCGSA-N -1 1 635.739 6.949 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccccc2)cc1 ZINC000098047358 554149590 /nfs/dbraw/zinc/14/95/90/554149590.db2.gz UNYOAPIRAMTDHG-RUZDIDTESA-N -1 1 592.142 7.446 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000098047343 554149626 /nfs/dbraw/zinc/14/96/26/554149626.db2.gz HHMGKYGEMDCBEW-VWLOTQADSA-N -1 1 610.132 7.585 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000098047335 554149644 /nfs/dbraw/zinc/14/96/44/554149644.db2.gz LPPNHSXCTDHGLS-MHZLTWQESA-N -1 1 619.740 7.330 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccnc2)cc1 ZINC000098047370 554150132 /nfs/dbraw/zinc/15/01/32/554150132.db2.gz OGRGTXCZMUMUGJ-XMMPIXPASA-N -1 1 558.685 6.187 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047413 554150331 /nfs/dbraw/zinc/15/03/31/554150331.db2.gz DUGGPUPFOLCMKR-LJAQVGFWSA-N -1 1 629.804 7.971 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047465 554151362 /nfs/dbraw/zinc/15/13/62/554151362.db2.gz MVBFEUCFTAAZFD-SANMLTNESA-N -1 1 650.178 7.232 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047505 554151724 /nfs/dbraw/zinc/15/17/24/554151724.db2.gz LALRWFWYSDVUDO-AREMUKBSSA-N -1 1 633.723 6.718 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047495 554151787 /nfs/dbraw/zinc/15/17/87/554151787.db2.gz RJVHVTHLZURKSH-JGCGQSQUSA-N -1 1 681.811 8.510 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047492 554151853 /nfs/dbraw/zinc/15/18/53/554151853.db2.gz QLOYZZBRQPVIPV-QHCPKHFHSA-N -1 1 578.643 5.377 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000098047532 554152224 /nfs/dbraw/zinc/15/22/24/554152224.db2.gz WFEWIGAQXGEMOE-JGCGQSQUSA-N -1 1 722.329 9.413 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000098047574 554152947 /nfs/dbraw/zinc/15/29/47/554152947.db2.gz SCKZASBDWDHFBZ-YTTGMZPUSA-N -1 1 705.874 8.899 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047618 554153438 /nfs/dbraw/zinc/15/34/38/554153438.db2.gz CWWPAMMHLNCKLT-YTTGMZPUSA-N -1 1 687.884 8.534 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000098047612 554153475 /nfs/dbraw/zinc/15/34/75/554153475.db2.gz AUKANFMTPMIJNM-SANMLTNESA-N -1 1 589.714 7.240 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047621 554153650 /nfs/dbraw/zinc/15/36/50/554153650.db2.gz XGXXOSMWJBCIPP-MUUNZHRXSA-N -1 1 631.776 7.118 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000098047649 554153874 /nfs/dbraw/zinc/15/38/74/554153874.db2.gz ADCVKBMEEPUXPY-RUZDIDTESA-N -1 1 610.132 7.585 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000098047630 554153940 /nfs/dbraw/zinc/15/39/40/554153940.db2.gz DREFRSCOSXTRFW-VWLOTQADSA-N -1 1 593.677 7.070 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047639 554153947 /nfs/dbraw/zinc/15/39/47/554153947.db2.gz IFZVUVWXDGRIHF-HHHXNRCGSA-N -1 1 665.765 6.957 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047748 554155406 /nfs/dbraw/zinc/15/54/06/554155406.db2.gz XXRCWPLVGDLVSB-MHZLTWQESA-N -1 1 581.694 7.522 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000098047763 554155778 /nfs/dbraw/zinc/15/57/78/554155778.db2.gz XHZOAYXLHNQCDF-HHHXNRCGSA-N -1 1 640.699 6.692 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Br)cc2)cc1OC ZINC000098047765 554155788 /nfs/dbraw/zinc/15/57/88/554155788.db2.gz YJCFYJJCCXHLKF-HHHXNRCGSA-N -1 1 674.598 7.546 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2F)cc1OC ZINC000098047782 554155891 /nfs/dbraw/zinc/15/58/91/554155891.db2.gz NRXNXFCGBHZYBH-MHZLTWQESA-N -1 1 613.692 6.923 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047800 554156186 /nfs/dbraw/zinc/15/61/86/554156186.db2.gz IZHKRGDXJZWTMQ-PMERELPUSA-N -1 1 669.781 7.191 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047790 554156205 /nfs/dbraw/zinc/15/62/05/554156205.db2.gz HTICTZBGZVGKJP-PMERELPUSA-N -1 1 651.766 7.349 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047805 554156418 /nfs/dbraw/zinc/15/64/18/554156418.db2.gz KDZNUHCWUKDEBP-MUUNZHRXSA-N -1 1 625.728 6.792 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000098047822 554156690 /nfs/dbraw/zinc/15/66/90/554156690.db2.gz JXYNKOWAFQDIDE-YTTGMZPUSA-N -1 1 683.827 8.648 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(F)cc2)cc1F ZINC000098047847 554156698 /nfs/dbraw/zinc/15/66/98/554156698.db2.gz YUKGOENNJKUOSY-AREMUKBSSA-N -1 1 585.657 7.353 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098047893 554157242 /nfs/dbraw/zinc/15/72/42/554157242.db2.gz FEZYARZZXQBEKB-RUZDIDTESA-N -1 1 599.621 5.817 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048036 554158783 /nfs/dbraw/zinc/15/87/83/554158783.db2.gz CJKLLEYDMYMOTL-YRVHBCJASA-N -1 1 602.684 7.119 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048036 554158787 /nfs/dbraw/zinc/15/87/87/554158787.db2.gz CJKLLEYDMYMOTL-YRVHBCJASA-N -1 1 602.684 7.119 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048055 554159296 /nfs/dbraw/zinc/15/92/96/554159296.db2.gz RRNKGJXSCWJHCO-QWXGXRTQSA-N -1 1 560.603 5.949 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000098048055 554159297 /nfs/dbraw/zinc/15/92/97/554159297.db2.gz RRNKGJXSCWJHCO-QWXGXRTQSA-N -1 1 560.603 5.949 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098048933 554162321 /nfs/dbraw/zinc/16/23/21/554162321.db2.gz DEDPFPCMEVYSII-NDEPHWFRSA-N -1 1 662.818 8.207 50 30 KKEAMM Cc1cccc2oc(-c3cc(/N=C/c4cc(I)cc(I)c4O)ccc3[O-])nc21 ZINC000100046993 554193794 /nfs/dbraw/zinc/19/37/94/554193794.db2.gz VPUMNXMXASNYLR-YSURURNPSA-N -1 1 596.162 6.174 50 30 KKEAMM COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(Br)c(Br)c1[O-] ZINC000100329525 554311485 /nfs/dbraw/zinc/31/14/85/554311485.db2.gz RJXILLOYFLKPHP-LGJNPRDNSA-N -1 1 585.260 6.044 50 30 KKEAMM N#Cc1c(SCC(=O)c2ccc([O-])c(O)c2)nc2c(c1-c1ccc(OCc3ccccc3)cc1)CCCC2 ZINC000049246921 554323130 /nfs/dbraw/zinc/32/31/30/554323130.db2.gz LFSNDXGOTMTARJ-UHFFFAOYSA-N -1 1 522.626 6.464 50 30 KKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053290168 554331135 /nfs/dbraw/zinc/33/11/35/554331135.db2.gz UZIDWSNWWMEQIF-JOCHJYFZSA-N -1 1 536.338 5.099 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000053292075 554332293 /nfs/dbraw/zinc/33/22/93/554332293.db2.gz KDRXPXFOQQFQJF-DEOSSOPVSA-N -1 1 529.574 6.003 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053305850 554332709 /nfs/dbraw/zinc/33/27/09/554332709.db2.gz PCGRSEQHBBOKLT-HSZRJFAPSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053305850 554332715 /nfs/dbraw/zinc/33/27/15/554332715.db2.gz PCGRSEQHBBOKLT-HSZRJFAPSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053306049 554333091 /nfs/dbraw/zinc/33/30/91/554333091.db2.gz LBJBLJGVRHKYTR-XMMPIXPASA-N -1 1 559.556 5.157 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000053305919 554333148 /nfs/dbraw/zinc/33/31/48/554333148.db2.gz PTQDCRHOSXONTK-RUZDIDTESA-N -1 1 532.593 6.324 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000053305919 554333151 /nfs/dbraw/zinc/33/31/51/554333151.db2.gz PTQDCRHOSXONTK-RUZDIDTESA-N -1 1 532.593 6.324 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053306048 554333205 /nfs/dbraw/zinc/33/32/05/554333205.db2.gz LBJBLJGVRHKYTR-DEOSSOPVSA-N -1 1 559.556 5.157 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053306121 554333270 /nfs/dbraw/zinc/33/32/70/554333270.db2.gz JOQZPHZXOWDGNA-QFIPXVFZSA-N -1 1 535.965 6.040 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000053306293 554333460 /nfs/dbraw/zinc/33/34/60/554333460.db2.gz RSGWAGAPLZXVFR-SSEXGKCCSA-N -1 1 590.657 6.738 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053306611 554333920 /nfs/dbraw/zinc/33/39/20/554333920.db2.gz DQPMAGANHYLJKQ-XMMPIXPASA-N -1 1 563.473 6.857 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000053306312 554334105 /nfs/dbraw/zinc/33/41/05/554334105.db2.gz IHLFPWCEMTYDJB-KWMCUTETSA-N -1 1 570.667 6.427 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053307236 554335230 /nfs/dbraw/zinc/33/52/30/554335230.db2.gz IJOZACUXVSQXAT-DEOSSOPVSA-N -1 1 577.456 6.230 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053307236 554335232 /nfs/dbraw/zinc/33/52/32/554335232.db2.gz IJOZACUXVSQXAT-DEOSSOPVSA-N -1 1 577.456 6.230 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C ZINC000053307807 554335466 /nfs/dbraw/zinc/33/54/66/554335466.db2.gz RISMILBXXPONDH-FQEVSTJZSA-N -1 1 571.449 5.491 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053319169 554336270 /nfs/dbraw/zinc/33/62/70/554336270.db2.gz JEEJRBWSDIVTKI-NRFANRHFSA-N -1 1 521.938 5.649 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000053319175 554336659 /nfs/dbraw/zinc/33/66/59/554336659.db2.gz LYGJLDLTAADZJH-AREMUKBSSA-N -1 1 528.630 6.610 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000053319264 554336748 /nfs/dbraw/zinc/33/67/48/554336748.db2.gz GTMLXPDRDOIMPR-NRFANRHFSA-N -1 1 539.009 5.548 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000053319355 554337445 /nfs/dbraw/zinc/33/74/45/554337445.db2.gz PNNVMCCZCLVCSN-AREMUKBSSA-N -1 1 530.964 6.007 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000053319354 554337613 /nfs/dbraw/zinc/33/76/13/554337613.db2.gz PNNVMCCZCLVCSN-SANMLTNESA-N -1 1 530.964 6.007 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053319403 554337922 /nfs/dbraw/zinc/33/79/22/554337922.db2.gz LVLWDQYQRYTGAH-MQNRADLISA-N -1 1 557.584 5.710 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000053319468 554338283 /nfs/dbraw/zinc/33/82/83/554338283.db2.gz LSZKZWFLTRCEGO-AREMUKBSSA-N -1 1 598.633 5.371 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053332973 554339450 /nfs/dbraw/zinc/33/94/50/554339450.db2.gz HODWVFUUNOQMTF-RUZDIDTESA-N -1 1 572.595 5.036 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000053332940 554339503 /nfs/dbraw/zinc/33/95/03/554339503.db2.gz WECPHTCPZGNQCZ-JOCHJYFZSA-N -1 1 522.941 5.643 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053332851 554339542 /nfs/dbraw/zinc/33/95/42/554339542.db2.gz CTNKZZABOCLISV-QGZVFWFLSA-N -1 1 547.814 5.437 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000053335309 554341053 /nfs/dbraw/zinc/34/10/53/554341053.db2.gz XEIZTVGACLRNCD-XMMPIXPASA-N -1 1 549.004 5.903 50 30 KKEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053335452 554341199 /nfs/dbraw/zinc/34/11/99/554341199.db2.gz FRIAQUHPVYHLTD-JOCHJYFZSA-N -1 1 551.349 5.317 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053336322 554341783 /nfs/dbraw/zinc/34/17/83/554341783.db2.gz HIBCNFLGJVVLRW-HSZRJFAPSA-N -1 1 549.004 5.918 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccccc2)nc1C ZINC000053337585 554342463 /nfs/dbraw/zinc/34/24/63/554342463.db2.gz IALIJHXKGKASDX-AREMUKBSSA-N -1 1 538.625 6.324 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccccc2)nc1C ZINC000053337585 554342458 /nfs/dbraw/zinc/34/24/58/554342458.db2.gz IALIJHXKGKASDX-AREMUKBSSA-N -1 1 538.625 6.324 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000053339010 554343255 /nfs/dbraw/zinc/34/32/55/554343255.db2.gz XGOVKCLNTFDQAJ-NDEPHWFRSA-N -1 1 586.666 6.346 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000053340161 554343878 /nfs/dbraw/zinc/34/38/78/554343878.db2.gz OBWWPUGFELGZCX-QMTYFTJSSA-N -1 1 542.613 5.810 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000053340294 554344275 /nfs/dbraw/zinc/34/42/75/554344275.db2.gz IXSISSNTAQFWNN-XMMPIXPASA-N -1 1 533.005 6.121 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000053340294 554344272 /nfs/dbraw/zinc/34/42/72/554344272.db2.gz IXSISSNTAQFWNN-XMMPIXPASA-N -1 1 533.005 6.121 50 30 KKEAMM CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)cc(Br)c1[O-] ZINC000100486830 554402456 /nfs/dbraw/zinc/40/24/56/554402456.db2.gz CXZXASQSKSMJKL-KRWDZBQOSA-N -1 1 527.253 5.474 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccccc2)cc1 ZINC000100675285 554443353 /nfs/dbraw/zinc/44/33/53/554443353.db2.gz JKRRAKCOZFODSC-DEOSSOPVSA-N -1 1 548.661 6.226 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000100677202 554444206 /nfs/dbraw/zinc/44/42/06/554444206.db2.gz MMHQBFWGURWTBX-IBGZPJMESA-N -1 1 559.413 5.621 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000100677271 554444268 /nfs/dbraw/zinc/44/42/68/554444268.db2.gz YYHOOJPYSFQXOZ-RUZDIDTESA-N -1 1 578.687 6.379 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100678328 554444895 /nfs/dbraw/zinc/44/48/95/554444895.db2.gz WNIWCNHPCHFSAU-HHHXNRCGSA-N -1 1 622.740 6.633 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100677754 554444984 /nfs/dbraw/zinc/44/49/84/554444984.db2.gz YRCLGOLPILCAQU-VWLOTQADSA-N -1 1 596.677 6.436 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000100679384 554445270 /nfs/dbraw/zinc/44/52/70/554445270.db2.gz RECMOFRKXWMAEW-JOCHJYFZSA-N -1 1 589.497 6.897 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000100680009 554446056 /nfs/dbraw/zinc/44/60/56/554446056.db2.gz UCRIWDVPWDXZCT-VWLOTQADSA-N -1 1 560.672 6.319 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000100680009 554446057 /nfs/dbraw/zinc/44/60/57/554446057.db2.gz UCRIWDVPWDXZCT-VWLOTQADSA-N -1 1 560.672 6.319 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000100680380 554446487 /nfs/dbraw/zinc/44/64/87/554446487.db2.gz APGGWDQYHBHVIS-RUZDIDTESA-N -1 1 622.696 5.782 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000100680408 554446777 /nfs/dbraw/zinc/44/67/77/554446777.db2.gz PLBUWKQJWBYOHP-LJAQVGFWSA-N -1 1 624.715 7.548 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000100681073 554447174 /nfs/dbraw/zinc/44/71/74/554447174.db2.gz KCDLQCHQRNMSTG-QHCPKHFHSA-N -1 1 596.658 5.226 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000100681093 554447209 /nfs/dbraw/zinc/44/72/09/554447209.db2.gz JKYHNCRWTDENEE-NRFANRHFSA-N -1 1 575.470 6.507 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000100681013 554447251 /nfs/dbraw/zinc/44/72/51/554447251.db2.gz OXDAVLPYEBQXQV-NDEPHWFRSA-N -1 1 634.751 6.944 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000100681133 554447524 /nfs/dbraw/zinc/44/75/24/554447524.db2.gz CIZFQEYZUKVSNA-OAQYLSRUSA-N -1 1 585.476 5.962 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100681128 554447586 /nfs/dbraw/zinc/44/75/86/554447586.db2.gz WIIOGEVQCWZQFF-SANMLTNESA-N -1 1 592.714 6.769 50 30 KKEAMM CC(=O)/C(=N\[N-]c1ccccc1[N+](=O)[O-])Sc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1 ZINC000100755485 554467031 /nfs/dbraw/zinc/46/70/31/554467031.db2.gz IXUCXCYFESXLBS-XAYXJRQQSA-N -1 1 527.393 6.256 50 30 KKEAMM COc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc(Br)c1[O-] ZINC000100814937 554475788 /nfs/dbraw/zinc/47/57/88/554475788.db2.gz VVOWUEMHDHOZEJ-PQQJFFSGSA-N -1 1 553.500 7.792 50 30 KKEAMM CCOc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc(Br)c1[O-] ZINC000100814941 554475826 /nfs/dbraw/zinc/47/58/26/554475826.db2.gz SYRMJTYLDCMPAS-MJQUVRBKSA-N -1 1 567.527 8.182 50 30 KKEAMM CCOc1cc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc(Br)c1[O-] ZINC000100814946 554475870 /nfs/dbraw/zinc/47/58/70/554475870.db2.gz SYRMJTYLDCMPAS-MQQVZEMLSA-N -1 1 567.527 8.182 50 30 KKEAMM CCCCCCCCCCCCCCCCCCOc1ccccc1-c1cc(=O)oc2cc([O-])ccc21 ZINC000100844887 554490923 /nfs/dbraw/zinc/49/09/23/554490923.db2.gz XPFHNNDGQBZTSM-UHFFFAOYSA-N -1 1 506.727 9.806 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)[n-]c(=O)c1[C@@H]2c1ccc(Br)cc1 ZINC000100888127 554509421 /nfs/dbraw/zinc/50/94/21/554509421.db2.gz ATGPZGQBJMIPFL-HXUWFJFHSA-N -1 1 556.913 6.679 50 30 KKEAMM COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(C)cc5)s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)oc21 ZINC000100953579 554538083 /nfs/dbraw/zinc/53/80/83/554538083.db2.gz ASYFLPQGLFQAJH-XMMPIXPASA-N -1 1 614.661 6.585 50 30 KKEAMM COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(C)cc5)s4)[C@H]3c3ccc([N+](=O)[O-])cc3)oc21 ZINC000100953582 554538120 /nfs/dbraw/zinc/53/81/20/554538120.db2.gz ASYFLPQGLFQAJH-DEOSSOPVSA-N -1 1 614.661 6.585 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000101069765 554574098 /nfs/dbraw/zinc/57/40/98/554574098.db2.gz VABWKHBTQRJDEN-WOOAAIBNSA-N -1 1 593.069 5.995 50 30 KKEAMM CN(C)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069829 554574338 /nfs/dbraw/zinc/57/43/38/554574338.db2.gz NGSANCGIXHQCSV-HOGKFDNTSA-N -1 1 511.803 5.795 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000101069844 554574355 /nfs/dbraw/zinc/57/43/55/554574355.db2.gz FOYREWVESLLDKG-YDJIHCHBSA-N -1 1 558.182 5.746 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101072869 554576456 /nfs/dbraw/zinc/57/64/56/554576456.db2.gz HHBGQWIECMFSEY-NHFXJNLRSA-N -1 1 509.356 5.824 50 30 KKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)sc1C ZINC000101100199 554586781 /nfs/dbraw/zinc/58/67/81/554586781.db2.gz FIMYYOISEQLWDA-SELCWUDQSA-N -1 1 503.805 5.802 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)o1 ZINC000101100227 554587149 /nfs/dbraw/zinc/58/71/49/554587149.db2.gz KZFIELPOPURQBO-WOOAAIBNSA-N -1 1 513.344 5.726 50 30 KKEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Br)c1 ZINC000101101552 554638792 /nfs/dbraw/zinc/63/87/92/554638792.db2.gz LDIZEPZCYOWGRB-GHNGSUTGSA-N -1 1 515.385 5.886 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000101276739 554702886 /nfs/dbraw/zinc/70/28/86/554702886.db2.gz BJWROTHVTQRQNC-JBCNATCCSA-N -1 1 573.454 6.044 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276800 554703228 /nfs/dbraw/zinc/70/32/28/554703228.db2.gz WWZXNUYCGMYIBV-ZLYDLHQSSA-N -1 1 602.709 6.169 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276800 554703231 /nfs/dbraw/zinc/70/32/31/554703231.db2.gz WWZXNUYCGMYIBV-ZLYDLHQSSA-N -1 1 602.709 6.169 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000101277679 554703863 /nfs/dbraw/zinc/70/38/63/554703863.db2.gz MVXGKKSILZLAET-SBXHHDGASA-N -1 1 560.672 6.035 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000101277459 554703950 /nfs/dbraw/zinc/70/39/50/554703950.db2.gz LTVQCKQQTOJEKK-XVTRYDTASA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000101277459 554703952 /nfs/dbraw/zinc/70/39/52/554703952.db2.gz LTVQCKQQTOJEKK-XVTRYDTASA-N -1 1 604.681 5.541 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000101277683 554704152 /nfs/dbraw/zinc/70/41/52/554704152.db2.gz UMXBGCUBEDCIAO-NXLSWJSLSA-N -1 1 560.672 6.035 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000101277825 554704241 /nfs/dbraw/zinc/70/42/41/554704241.db2.gz TWOCCGOGJKRYNA-ZHHPLPSFSA-N -1 1 532.618 5.300 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000101278095 554704491 /nfs/dbraw/zinc/70/44/91/554704491.db2.gz BGFFMNSOLRWJSP-WGGXKBPPSA-N -1 1 624.715 6.707 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)cc2)nc1C ZINC000101278041 554704581 /nfs/dbraw/zinc/70/45/81/554704581.db2.gz KCIPDPATWKRDNT-UUALVTFQSA-N -1 1 596.661 6.014 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000101278338 554704888 /nfs/dbraw/zinc/70/48/88/554704888.db2.gz GHKBFIIPGICHNS-RPUIFAKWSA-N -1 1 560.628 5.143 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000101278338 554704890 /nfs/dbraw/zinc/70/48/90/554704890.db2.gz GHKBFIIPGICHNS-RPUIFAKWSA-N -1 1 560.628 5.143 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccccc2)nc1C ZINC000101278474 554704999 /nfs/dbraw/zinc/70/49/99/554704999.db2.gz GZSQLMIDJQQUCQ-ONQGDUAMSA-N -1 1 580.662 6.308 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccccc2)nc1C ZINC000101278474 554705002 /nfs/dbraw/zinc/70/50/02/554705002.db2.gz GZSQLMIDJQQUCQ-ONQGDUAMSA-N -1 1 580.662 6.308 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101293982 554710297 /nfs/dbraw/zinc/71/02/97/554710297.db2.gz MUORBGZRWKBHRH-NPJIAGGLSA-N -1 1 514.578 6.189 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101293982 554710300 /nfs/dbraw/zinc/71/03/00/554710300.db2.gz MUORBGZRWKBHRH-NPJIAGGLSA-N -1 1 514.578 6.189 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101293850 554710393 /nfs/dbraw/zinc/71/03/93/554710393.db2.gz JCSAGJQFPOLGRT-CJJGVWJISA-N -1 1 526.614 6.113 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000101294268 554711129 /nfs/dbraw/zinc/71/11/29/554711129.db2.gz IYUDZHPKSBRVPZ-FPRSLYQBSA-N -1 1 568.651 6.210 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000101294331 554711278 /nfs/dbraw/zinc/71/12/78/554711278.db2.gz AOITVOYBGKHVGE-CJJGVWJISA-N -1 1 540.597 5.567 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294532 554711287 /nfs/dbraw/zinc/71/12/87/554711287.db2.gz RGNUDEGGICXRNL-HOGKFDNTSA-N -1 1 504.589 5.558 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000101310293 554717637 /nfs/dbraw/zinc/71/76/37/554717637.db2.gz UYDCIPAVGVGJBP-IZSGBISHSA-N -1 1 612.704 6.608 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000101310279 554717670 /nfs/dbraw/zinc/71/76/70/554717670.db2.gz QXKFCTJBIICVGU-LQRKZSIOSA-N -1 1 586.641 6.349 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000101310279 554717671 /nfs/dbraw/zinc/71/76/71/554717671.db2.gz QXKFCTJBIICVGU-LQRKZSIOSA-N -1 1 586.641 6.349 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000101310405 554717818 /nfs/dbraw/zinc/71/78/18/554717818.db2.gz CECZCGQCQJNBMF-IQKFOVTFSA-N -1 1 598.677 6.274 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310429 554717918 /nfs/dbraw/zinc/71/79/18/554717918.db2.gz IANPYJQIUFGAPJ-TXTDGAROSA-N -1 1 600.649 5.666 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000101310429 554717921 /nfs/dbraw/zinc/71/79/21/554717921.db2.gz IANPYJQIUFGAPJ-TXTDGAROSA-N -1 1 600.649 5.666 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101313586 554721831 /nfs/dbraw/zinc/72/18/31/554721831.db2.gz CKKBWKSGKPYKJI-SBXHHDGASA-N -1 1 500.576 5.951 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000101313586 554721833 /nfs/dbraw/zinc/72/18/33/554721833.db2.gz CKKBWKSGKPYKJI-SBXHHDGASA-N -1 1 500.576 5.951 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313718 554722142 /nfs/dbraw/zinc/72/21/42/554722142.db2.gz ZVSOOXGVXUUVFR-FZIYRNTBSA-N -1 1 538.625 6.119 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313715 554722166 /nfs/dbraw/zinc/72/21/66/554722166.db2.gz ZVSOOXGVXUUVFR-ROBPHKHBSA-N -1 1 538.625 6.119 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313709 554722235 /nfs/dbraw/zinc/72/22/35/554722235.db2.gz DSCIFORAMALDTG-SOIUSXPSSA-N -1 1 560.628 5.143 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000101313709 554722236 /nfs/dbraw/zinc/72/22/36/554722236.db2.gz DSCIFORAMALDTG-SOIUSXPSSA-N -1 1 560.628 5.143 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313939 554722391 /nfs/dbraw/zinc/72/23/91/554722391.db2.gz FDPUKXFYKQCKCY-CJJGVWJISA-N -1 1 556.596 5.267 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313939 554722394 /nfs/dbraw/zinc/72/23/94/554722394.db2.gz FDPUKXFYKQCKCY-CJJGVWJISA-N -1 1 556.596 5.267 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000101316430 554723534 /nfs/dbraw/zinc/72/35/34/554723534.db2.gz FOVUMZIZTFEANM-OTQMSCLFSA-N -1 1 572.639 5.309 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC=C)c2)nc1C ZINC000101316430 554723538 /nfs/dbraw/zinc/72/35/38/554723538.db2.gz FOVUMZIZTFEANM-OTQMSCLFSA-N -1 1 572.639 5.309 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000101316855 554723814 /nfs/dbraw/zinc/72/38/14/554723814.db2.gz PPUMWZZHRBONIC-FZIYRNTBSA-N -1 1 615.708 6.484 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000101316899 554724134 /nfs/dbraw/zinc/72/41/34/554724134.db2.gz PXEHBELKMCGSNM-CJJGVWJISA-N -1 1 599.690 5.793 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000101316888 554724162 /nfs/dbraw/zinc/72/41/62/554724162.db2.gz OXKIEFSDSZCXRX-JLPDLQRYSA-N -1 1 597.718 6.345 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(N(C)C)cc2)cc1F ZINC000101338208 554734782 /nfs/dbraw/zinc/73/47/82/554734782.db2.gz AVUWZWUCBUYJMI-XMMPIXPASA-N -1 1 595.121 6.780 50 30 KKEAMM CCc1ccc([C@@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000101344597 554736902 /nfs/dbraw/zinc/73/69/02/554736902.db2.gz NAVPZQSWSJNTBC-RUZDIDTESA-N -1 1 610.786 7.608 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000101344597 554736906 /nfs/dbraw/zinc/73/69/06/554736906.db2.gz NAVPZQSWSJNTBC-RUZDIDTESA-N -1 1 610.786 7.608 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000101344559 554736913 /nfs/dbraw/zinc/73/69/13/554736913.db2.gz BGZSBWRRJIJXKQ-NRFANRHFSA-N -1 1 559.669 6.015 50 30 KKEAMM COc1ccc(OC)c([C@@H]2c3c(=O)[n-]c(SCc4ccc(Cl)cc4)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000101376388 554746370 /nfs/dbraw/zinc/74/63/70/554746370.db2.gz JBYLNDKWKYFFRP-QFIPXVFZSA-N -1 1 538.069 5.933 50 30 KKEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4ccc(F)cc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000101376357 554746383 /nfs/dbraw/zinc/74/63/83/554746383.db2.gz 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/nfs/dbraw/zinc/93/77/16/554937716.db2.gz KGHTVLIMUQJLJO-AYWGPLOBSA-N -1 1 549.446 6.392 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102483563 554937719 /nfs/dbraw/zinc/93/77/19/554937719.db2.gz KGHTVLIMUQJLJO-AYWGPLOBSA-N -1 1 549.446 6.392 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102485292 554937946 /nfs/dbraw/zinc/93/79/46/554937946.db2.gz RVBQEVOVFAOFCV-QKJBWNOYSA-N -1 1 530.602 5.565 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102485419 554938279 /nfs/dbraw/zinc/93/82/79/554938279.db2.gz IDIXHTOWZOPXEH-ZHHPLPSFSA-N -1 1 536.993 5.602 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102491587 554939320 /nfs/dbraw/zinc/93/93/20/554939320.db2.gz OEZVIKDNAAWGOC-MOBKVPTQSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102491587 554939322 /nfs/dbraw/zinc/93/93/22/554939322.db2.gz OEZVIKDNAAWGOC-MOBKVPTQSA-N -1 1 501.520 5.148 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102492560 554939638 /nfs/dbraw/zinc/93/96/38/554939638.db2.gz XWAUPWVIQLBOMW-HOGKFDNTSA-N -1 1 522.604 5.400 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102495376 554940240 /nfs/dbraw/zinc/94/02/40/554940240.db2.gz GOUSCDLTFYJBLA-MRJHHRETSA-N -1 1 524.957 5.732 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102495985 554940613 /nfs/dbraw/zinc/94/06/13/554940613.db2.gz QXECPYKHWQPUJW-SBXHHDGASA-N -1 1 516.575 5.339 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102499005 554941523 /nfs/dbraw/zinc/94/15/23/554941523.db2.gz IODHWQYGKVXAJQ-NXLSWJSLSA-N -1 1 516.575 5.339 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102499909 554942476 /nfs/dbraw/zinc/94/24/76/554942476.db2.gz OODUPCFWYINKJW-AYWGPLOBSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102499909 554942478 /nfs/dbraw/zinc/94/24/78/554942478.db2.gz OODUPCFWYINKJW-AYWGPLOBSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102500711 554942905 /nfs/dbraw/zinc/94/29/05/554942905.db2.gz GDCKTEVQLTYEPN-COUQNMRISA-N -1 1 504.995 6.201 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102501948 554943405 /nfs/dbraw/zinc/94/34/05/554943405.db2.gz JDXFZPCPWOBLIZ-MRJHHRETSA-N -1 1 511.386 6.238 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)c(OC)c1 ZINC000102502650 554943713 /nfs/dbraw/zinc/94/37/13/554943713.db2.gz BEMHMNKFXPRXLU-HOGKFDNTSA-N -1 1 541.398 5.378 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102502534 554943747 /nfs/dbraw/zinc/94/37/47/554943747.db2.gz ZQLSIRLKVQIOSF-MRJHHRETSA-N -1 1 539.382 5.833 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000102504105 554943913 /nfs/dbraw/zinc/94/39/13/554943913.db2.gz HPIFJGRKZWVRHI-HVESIFNPSA-N -1 1 547.814 5.280 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102503357 554944035 /nfs/dbraw/zinc/94/40/35/554944035.db2.gz NTCXMFSNKCWINS-UVDRRRQGSA-N -1 1 548.592 5.704 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102503357 554944037 /nfs/dbraw/zinc/94/40/37/554944037.db2.gz NTCXMFSNKCWINS-UVDRRRQGSA-N -1 1 548.592 5.704 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102504715 554944359 /nfs/dbraw/zinc/94/43/59/554944359.db2.gz DVLUUJZKYXPGNG-AYWGPLOBSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102504715 554944360 /nfs/dbraw/zinc/94/43/60/554944360.db2.gz DVLUUJZKYXPGNG-AYWGPLOBSA-N -1 1 504.539 5.387 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102508667 554945718 /nfs/dbraw/zinc/94/57/18/554945718.db2.gz ARBQNQQESBHTGX-SBXHHDGASA-N -1 1 500.576 5.557 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102509473 554946087 /nfs/dbraw/zinc/94/60/87/554946087.db2.gz VHTQVMOYHPFYMM-DHJMZRGKSA-N -1 1 544.629 5.955 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102513920 554947269 /nfs/dbraw/zinc/94/72/69/554947269.db2.gz ZBYOHNMGZZENJM-MRJHHRETSA-N -1 1 508.577 5.010 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102516422 554947914 /nfs/dbraw/zinc/94/79/14/554947914.db2.gz WMLMBYQJSGNEJP-JBCNATCCSA-N 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CXDVXSKRRBYEFF-MOBKVPTQSA-N -1 1 520.607 5.352 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102528007 554952895 /nfs/dbraw/zinc/95/28/95/554952895.db2.gz OKOYKFXVOSPSIW-HOGKFDNTSA-N -1 1 525.413 6.628 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102534265 554955031 /nfs/dbraw/zinc/95/50/31/554955031.db2.gz LDWQDPNADRLBIB-NXLSWJSLSA-N -1 1 546.601 5.265 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102539301 554956886 /nfs/dbraw/zinc/95/68/86/554956886.db2.gz JPQKMYXDRMIGMI-SBXHHDGASA-N -1 1 544.585 5.117 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102541571 554957526 /nfs/dbraw/zinc/95/75/26/554957526.db2.gz QMIGEHRMHWLIFL-ZHHPLPSFSA-N -1 1 504.539 5.469 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102544052 554958511 /nfs/dbraw/zinc/95/85/11/554958511.db2.gz WXXYVJMEFMACKJ-MOBKVPTQSA-N -1 1 520.563 5.240 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102545555 554959061 /nfs/dbraw/zinc/95/90/61/554959061.db2.gz GFEIFUOMKNQPSG-DHJMZRGKSA-N -1 1 544.629 5.874 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102547195 554959704 /nfs/dbraw/zinc/95/97/04/554959704.db2.gz OBHNMASXCXGJEN-NPJIAGGLSA-N -1 1 528.586 5.401 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102547415 554959986 /nfs/dbraw/zinc/95/99/86/554959986.db2.gz RJKCVNMZHSTGMX-KQAPWQHSSA-N -1 1 556.596 5.097 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102548115 554960150 /nfs/dbraw/zinc/96/01/50/554960150.db2.gz BRTFTJCTAMQURM-POZZTGBKSA-N -1 1 568.695 7.042 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102548402 554960205 /nfs/dbraw/zinc/96/02/05/554960205.db2.gz VQNKEPRGKMLWSR-WATAJRNESA-N -1 1 612.748 7.440 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102549473 554961129 /nfs/dbraw/zinc/96/11/29/554961129.db2.gz DIWBEPQVJVMZCY-NPJIAGGLSA-N -1 1 540.597 5.443 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102549422 554961156 /nfs/dbraw/zinc/96/11/56/554961156.db2.gz SVNNMAXLKBVGHC-JVJOXMINSA-N -1 1 601.725 7.043 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102549422 554961158 /nfs/dbraw/zinc/96/11/58/554961158.db2.gz SVNNMAXLKBVGHC-JVJOXMINSA-N -1 1 601.725 7.043 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102551085 554961849 /nfs/dbraw/zinc/96/18/49/554961849.db2.gz FDSQAZKSSCLRKZ-IUKMQXEJSA-N -1 1 544.585 5.101 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102551085 554961850 /nfs/dbraw/zinc/96/18/50/554961850.db2.gz FDSQAZKSSCLRKZ-IUKMQXEJSA-N -1 1 544.585 5.101 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102552236 554962479 /nfs/dbraw/zinc/96/24/79/554962479.db2.gz ZWCLHYBCRLNAIR-AHPONGEQSA-N -1 1 620.683 6.672 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000102552236 554962481 /nfs/dbraw/zinc/96/24/81/554962481.db2.gz ZWCLHYBCRLNAIR-AHPONGEQSA-N -1 1 620.683 6.672 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102552785 554962894 /nfs/dbraw/zinc/96/28/94/554962894.db2.gz WONYJSPSLHICTQ-IIHDFJPDSA-N -1 1 599.690 5.567 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102555843 554964345 /nfs/dbraw/zinc/96/43/45/554964345.db2.gz BSCJSQIBGKIKJB-JOMJOIQHSA-N -1 1 588.657 6.573 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102555843 554964346 /nfs/dbraw/zinc/96/43/46/554964346.db2.gz BSCJSQIBGKIKJB-JOMJOIQHSA-N -1 1 588.657 6.573 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102556370 554964649 /nfs/dbraw/zinc/96/46/49/554964649.db2.gz UPIQRAGMWFYBMF-SVNRFNMRSA-N -1 1 570.667 6.490 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102557580 554965614 /nfs/dbraw/zinc/96/56/14/554965614.db2.gz VRLDWSOIKRNOGX-MWCANZRFSA-N -1 1 576.671 5.757 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102557580 554965616 /nfs/dbraw/zinc/96/56/16/554965616.db2.gz VRLDWSOIKRNOGX-MWCANZRFSA-N -1 1 576.671 5.757 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102559256 554966574 /nfs/dbraw/zinc/96/65/74/554966574.db2.gz MESFOXYNDGTVDM-JVJOXMINSA-N -1 1 540.641 6.343 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102560001 554967611 /nfs/dbraw/zinc/96/76/11/554967611.db2.gz IHLZJUIYRSSNBV-FPRSLYQBSA-N -1 1 570.667 6.434 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102560896 554968086 /nfs/dbraw/zinc/96/80/86/554968086.db2.gz UKMTYTQTZZFOPU-ZHHPLPSFSA-N -1 1 518.978 5.656 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102560896 554968089 /nfs/dbraw/zinc/96/80/89/554968089.db2.gz UKMTYTQTZZFOPU-ZHHPLPSFSA-N -1 1 518.978 5.656 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)nc1C ZINC000102562799 554968620 /nfs/dbraw/zinc/96/86/20/554968620.db2.gz KVMCPPUIPLTJSY-NXLSWJSLSA-N -1 1 555.612 5.147 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102562921 554968825 /nfs/dbraw/zinc/96/88/25/554968825.db2.gz HIHZUBYQRGJXSN-NPAJZZOTSA-N -1 1 570.667 6.490 50 30 KKEAMM COc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102568923 554970034 /nfs/dbraw/zinc/97/00/34/554970034.db2.gz GYPXYUOVEMRLPW-GMBUILNLSA-N -1 1 516.550 5.394 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102568923 554970037 /nfs/dbraw/zinc/97/00/37/554970037.db2.gz GYPXYUOVEMRLPW-GMBUILNLSA-N -1 1 516.550 5.394 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102567734 554970061 /nfs/dbraw/zinc/97/00/61/554970061.db2.gz HVTOXUZYSRLQCF-AIKCTZLLSA-N -1 1 577.634 6.058 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000102574897 554971275 /nfs/dbraw/zinc/97/12/75/554971275.db2.gz NPXZIRYZKYQURH-AYWGPLOBSA-N -1 1 513.468 5.358 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000102581650 554972680 /nfs/dbraw/zinc/97/26/80/554972680.db2.gz JATYWBOHUUMXBR-NHFXJNLRSA-N -1 1 513.384 5.148 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000102598576 554977442 /nfs/dbraw/zinc/97/74/42/554977442.db2.gz FDKIWNXGOAIYNU-IUKMQXEJSA-N -1 1 622.124 6.280 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2 ZINC000102600264 554977732 /nfs/dbraw/zinc/97/77/32/554977732.db2.gz KIQHEXZFZPIQGH-ZHHPLPSFSA-N -1 1 577.615 5.073 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000102606074 554978796 /nfs/dbraw/zinc/97/87/96/554978796.db2.gz MDOXMGKFDWYYDC-IZHWHUGBSA-N -1 1 535.622 5.140 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606101 554978860 /nfs/dbraw/zinc/97/88/60/554978860.db2.gz USXVVIXRXQXFSV-PUAOIOHZSA-N -1 1 549.649 5.530 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606101 554978863 /nfs/dbraw/zinc/97/88/63/554978863.db2.gz USXVVIXRXQXFSV-PUAOIOHZSA-N -1 1 549.649 5.530 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606153 554978963 /nfs/dbraw/zinc/97/89/63/554978963.db2.gz LXCINZNOEVGMHD-QUGAMOGWSA-N -1 1 563.676 5.921 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC ZINC000102606153 554978965 /nfs/dbraw/zinc/97/89/65/554978965.db2.gz LXCINZNOEVGMHD-QUGAMOGWSA-N -1 1 563.676 5.921 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1OC ZINC000102607078 554979779 /nfs/dbraw/zinc/97/97/79/554979779.db2.gz SZXZGOZNSLRECO-CZNAVJSXSA-N -1 1 542.613 5.674 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102609075 554980827 /nfs/dbraw/zinc/98/08/27/554980827.db2.gz UGMJKFGGJMRBKC-ONQGDUAMSA-N -1 1 599.734 6.660 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102619196 554985790 /nfs/dbraw/zinc/98/57/90/554985790.db2.gz DWEBXNJBKJALQA-ONQGDUAMSA-N -1 1 606.697 5.875 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102620286 554986602 /nfs/dbraw/zinc/98/66/02/554986602.db2.gz FAZSKDWBEDZTMD-SBXHHDGASA-N -1 1 619.652 5.154 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102622248 554987456 /nfs/dbraw/zinc/98/74/56/554987456.db2.gz WPZQWTYEYPJIMH-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102622248 554987457 /nfs/dbraw/zinc/98/74/57/554987457.db2.gz WPZQWTYEYPJIMH-QHCPKHFHSA-N -1 1 548.617 5.293 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102624700 554987991 /nfs/dbraw/zinc/98/79/91/554987991.db2.gz JHQYXTFUCUPEGS-XKNZNLGKSA-N -1 1 609.704 7.072 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000102650849 554995557 /nfs/dbraw/zinc/99/55/57/554995557.db2.gz GNNFARCFDRFMIP-NIOKHIIOSA-N -1 1 575.484 6.625 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000102650954 554995658 /nfs/dbraw/zinc/99/56/58/554995658.db2.gz XDVKSIDDZUKSEI-TVXPFAQOSA-N -1 1 620.152 6.832 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102651699 554996280 /nfs/dbraw/zinc/99/62/80/554996280.db2.gz QMJJHSVWTXLMMS-BBHOXHGRSA-N -1 1 517.006 6.208 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102653481 554997136 /nfs/dbraw/zinc/99/71/36/554997136.db2.gz DWCMJODTUSFBCY-QMNXYOJKSA-N -1 1 574.658 7.347 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000102654282 554997623 /nfs/dbraw/zinc/99/76/23/554997623.db2.gz VBLZKRPHIIHGBV-NXLSWJSLSA-N -1 1 595.029 5.373 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102654407 554997639 /nfs/dbraw/zinc/99/76/39/554997639.db2.gz VRLDWSOIKRNOGX-NEMSTITPSA-N -1 1 576.671 5.757 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102654407 554997641 /nfs/dbraw/zinc/99/76/41/554997641.db2.gz VRLDWSOIKRNOGX-NEMSTITPSA-N -1 1 576.671 5.757 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102654781 554997676 /nfs/dbraw/zinc/99/76/76/554997676.db2.gz IFWYFQMLXCWIDV-IUKMQXEJSA-N -1 1 526.570 5.120 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102654790 554998086 /nfs/dbraw/zinc/99/80/86/554998086.db2.gz OTCXKTNBYVXJDY-WRPQUVRJSA-N -1 1 561.457 6.317 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102655031 554998095 /nfs/dbraw/zinc/99/80/95/554998095.db2.gz PCDGDWLUGBWKLS-OFNYXUPYSA-N -1 1 575.086 7.078 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102655031 554998096 /nfs/dbraw/zinc/99/80/96/554998096.db2.gz PCDGDWLUGBWKLS-OFNYXUPYSA-N -1 1 575.086 7.078 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102655889 554998629 /nfs/dbraw/zinc/99/86/29/554998629.db2.gz PJNJRJMWNLPGHS-NYFCFKJUSA-N -1 1 619.139 7.333 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102655861 554998648 /nfs/dbraw/zinc/99/86/48/554998648.db2.gz MVMSKDYEQDGIJJ-SMOAUKQDSA-N -1 1 604.684 7.437 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102655963 554998740 /nfs/dbraw/zinc/99/87/40/554998740.db2.gz KUWBIPVPBQHEKA-OGHRCCBNSA-N -1 1 512.587 5.563 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102661409 555000477 /nfs/dbraw/zinc/00/04/77/555000477.db2.gz IQGNABCAQPINJZ-NPJIAGGLSA-N -1 1 544.585 5.101 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102661409 555000479 /nfs/dbraw/zinc/00/04/79/555000479.db2.gz IQGNABCAQPINJZ-NPJIAGGLSA-N -1 1 544.585 5.101 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102673596 555003240 /nfs/dbraw/zinc/00/32/40/555003240.db2.gz JSPULEZSPRKWOB-XKNZNLGKSA-N -1 1 572.658 6.954 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102673596 555003244 /nfs/dbraw/zinc/00/32/44/555003244.db2.gz JSPULEZSPRKWOB-XKNZNLGKSA-N -1 1 572.658 6.954 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102677684 555004267 /nfs/dbraw/zinc/00/42/67/555004267.db2.gz OCIPVPXTHYZOLQ-VMFRQMAUSA-N -1 1 634.751 6.546 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102678845 555004730 /nfs/dbraw/zinc/00/47/30/555004730.db2.gz SJBARLIUXUSWCH-YZUJGMDRSA-N -1 1 616.711 7.209 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102678845 555004734 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C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770802 555058305 /nfs/dbraw/zinc/05/83/05/555058305.db2.gz MYNPSRVRPGBLNR-XYGUOAIHSA-N -1 1 555.414 6.692 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102770926 555058513 /nfs/dbraw/zinc/05/85/13/555058513.db2.gz RLIBNWNQZBNIAR-RFAFYKRUSA-N -1 1 545.060 7.023 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102770941 555058535 /nfs/dbraw/zinc/05/85/35/555058535.db2.gz QWAFOVOHNLWIFG-RFAFYKRUSA-N -1 1 528.605 6.509 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102770945 555059062 /nfs/dbraw/zinc/05/90/62/555059062.db2.gz QWAFOVOHNLWIFG-UJWLLDLUSA-N -1 1 528.605 6.509 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102770978 555059103 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Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000102771124 555059653 /nfs/dbraw/zinc/05/96/53/555059653.db2.gz IGSAGWVPIMZPNS-RKQXULEVSA-N -1 1 514.578 6.002 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771321 555060317 /nfs/dbraw/zinc/06/03/17/555060317.db2.gz SIHLOBQMBVIWPL-RPUIFAKWSA-N -1 1 576.099 6.434 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771322 555060362 /nfs/dbraw/zinc/06/03/62/555060362.db2.gz SIHLOBQMBVIWPL-YMMFOPJESA-N -1 1 576.099 6.434 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102798391 555072071 /nfs/dbraw/zinc/07/20/71/555072071.db2.gz PCTSJWPFDBWXDI-HOGKFDNTSA-N -1 1 504.608 5.686 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102800055 555072392 /nfs/dbraw/zinc/07/23/92/555072392.db2.gz 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ZINC000102889332 555123589 /nfs/dbraw/zinc/12/35/89/555123589.db2.gz ARFBWYBMMUICAY-IUKMQXEJSA-N -1 1 592.670 5.451 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102889310 555123610 /nfs/dbraw/zinc/12/36/10/555123610.db2.gz RCMYYDQKANRILW-ANCNPBKRSA-N -1 1 576.602 5.411 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102889601 555123835 /nfs/dbraw/zinc/12/38/35/555123835.db2.gz YSCCBJNWBAECHX-RXDXAXPSSA-N -1 1 558.656 6.264 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000102889752 555124317 /nfs/dbraw/zinc/12/43/17/555124317.db2.gz DDENSBPNMAWEEO-SBXHHDGASA-N -1 1 548.661 6.050 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000102889752 555124319 /nfs/dbraw/zinc/12/43/19/555124319.db2.gz DDENSBPNMAWEEO-SBXHHDGASA-N -1 1 548.661 6.050 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102890125 555125076 /nfs/dbraw/zinc/12/50/76/555125076.db2.gz WVUJLQSISKMJIO-FPRSLYQBSA-N -1 1 568.695 6.942 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1 ZINC000102890257 555125309 /nfs/dbraw/zinc/12/53/09/555125309.db2.gz LMFXTJDJEBKINU-QMDVFYPZSA-N -1 1 584.694 6.680 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102890468 555125533 /nfs/dbraw/zinc/12/55/33/555125533.db2.gz UKKOBJPOODBOAY-VDGASQMCSA-N -1 1 633.166 7.867 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102890468 555125537 /nfs/dbraw/zinc/12/55/37/555125537.db2.gz UKKOBJPOODBOAY-VDGASQMCSA-N -1 1 633.166 7.867 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102891537 555127377 /nfs/dbraw/zinc/12/73/77/555127377.db2.gz PMPDUNJRHKAXAB-TUKIDQFVSA-N -1 1 556.640 5.880 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000102891860 555127719 /nfs/dbraw/zinc/12/77/19/555127719.db2.gz UYNJVDRGGPUPDQ-ONQGDUAMSA-N -1 1 524.642 6.780 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000102892281 555128492 /nfs/dbraw/zinc/12/84/92/555128492.db2.gz VJEJGLSBEGLNGA-ANCNPBKRSA-N -1 1 593.057 5.925 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102893114 555129945 /nfs/dbraw/zinc/12/99/45/555129945.db2.gz WNAFSJGAXLMZIV-BFLOGMOSSA-N -1 1 590.698 6.147 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102893114 555129947 /nfs/dbraw/zinc/12/99/47/555129947.db2.gz WNAFSJGAXLMZIV-BFLOGMOSSA-N -1 1 590.698 6.147 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893207 555130252 /nfs/dbraw/zinc/13/02/52/555130252.db2.gz HJVCROFSPPPJOS-XMMCBNBESA-N -1 1 582.722 7.432 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102893205 555130263 /nfs/dbraw/zinc/13/02/63/555130263.db2.gz HJVCROFSPPPJOS-STYUONPNSA-N -1 1 582.722 7.432 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102893176 555130279 /nfs/dbraw/zinc/13/02/79/555130279.db2.gz LPJCGBSAWPYSKM-WREUJOMVSA-N -1 1 618.711 7.224 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(C(C)C)cc3)sc2c1 ZINC000102894274 555132284 /nfs/dbraw/zinc/13/22/84/555132284.db2.gz ZAAPLIVPEWJEMQ-OFNYXUPYSA-N -1 1 540.641 6.378 50 30 KKEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102894449 555132618 /nfs/dbraw/zinc/13/26/18/555132618.db2.gz QOOPQULXEIRCJI-JOMJOIQHSA-N -1 1 605.112 7.087 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102894449 555132620 /nfs/dbraw/zinc/13/26/20/555132620.db2.gz QOOPQULXEIRCJI-JOMJOIQHSA-N -1 1 605.112 7.087 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)c1 ZINC000102894911 555133180 /nfs/dbraw/zinc/13/31/80/555133180.db2.gz UJRAYRJYRSHTPD-NPJIAGGLSA-N -1 1 512.587 5.665 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)c1 ZINC000102894911 555133181 /nfs/dbraw/zinc/13/31/81/555133181.db2.gz UJRAYRJYRSHTPD-NPJIAGGLSA-N -1 1 512.587 5.665 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102894810 555133235 /nfs/dbraw/zinc/13/32/35/555133235.db2.gz FUMLLSFZGQGDBO-KODPQLEOSA-N -1 1 612.748 7.440 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102895574 555134738 /nfs/dbraw/zinc/13/47/38/555134738.db2.gz HCJFTVHQOUHVGT-VEZPTTSMSA-N -1 1 614.720 6.970 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102895874 555135203 /nfs/dbraw/zinc/13/52/03/555135203.db2.gz NOPDVBNUHHAJPZ-CJJGVWJISA-N -1 1 560.628 5.656 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000102896279 555135987 /nfs/dbraw/zinc/13/59/87/555135987.db2.gz HECXZJJPZOUAJP-ONQGDUAMSA-N -1 1 534.609 5.832 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102896935 555137216 /nfs/dbraw/zinc/13/72/16/555137216.db2.gz XREWHHYBQWEBBW-CGKJMNDRSA-N -1 1 562.644 5.401 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102896935 555137218 /nfs/dbraw/zinc/13/72/18/555137218.db2.gz XREWHHYBQWEBBW-CGKJMNDRSA-N -1 1 562.644 5.401 50 30 KKEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102896937 555137259 /nfs/dbraw/zinc/13/72/59/555137259.db2.gz XREWHHYBQWEBBW-HAQIDCBSSA-N -1 1 562.644 5.401 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102896937 555137262 /nfs/dbraw/zinc/13/72/62/555137262.db2.gz XREWHHYBQWEBBW-HAQIDCBSSA-N -1 1 562.644 5.401 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102896939 555137327 /nfs/dbraw/zinc/13/73/27/555137327.db2.gz XREWHHYBQWEBBW-JFTLGNCFSA-N -1 1 562.644 5.401 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102896939 555137329 /nfs/dbraw/zinc/13/73/29/555137329.db2.gz XREWHHYBQWEBBW-JFTLGNCFSA-N -1 1 562.644 5.401 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102897501 555137813 /nfs/dbraw/zinc/13/78/13/555137813.db2.gz QXKVWGXGEMNDAN-ZHHPLPSFSA-N -1 1 579.428 5.465 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102897430 555137927 /nfs/dbraw/zinc/13/79/27/555137927.db2.gz HUHSWABZFOOHEP-HOTYXSFQSA-N -1 1 549.004 5.614 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102898253 555138436 /nfs/dbraw/zinc/13/84/36/555138436.db2.gz HWYPPSNSBGXLNK-GMBUILNLSA-N -1 1 533.005 5.908 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102899242 555138730 /nfs/dbraw/zinc/13/87/30/555138730.db2.gz UPJWISLMVMGYCZ-FPRSLYQBSA-N -1 1 604.725 6.427 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102899242 555138733 /nfs/dbraw/zinc/13/87/33/555138733.db2.gz UPJWISLMVMGYCZ-FPRSLYQBSA-N -1 1 604.725 6.427 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102899244 555138882 /nfs/dbraw/zinc/13/88/82/555138882.db2.gz UPJWISLMVMGYCZ-WKUSSTJHSA-N -1 1 604.725 6.427 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102899244 555138883 /nfs/dbraw/zinc/13/88/83/555138883.db2.gz UPJWISLMVMGYCZ-WKUSSTJHSA-N -1 1 604.725 6.427 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102924851 555148946 /nfs/dbraw/zinc/14/89/46/555148946.db2.gz AEAFWBKWOPEMAN-JBCNATCCSA-N -1 1 505.508 5.131 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102925826 555150164 /nfs/dbraw/zinc/15/01/64/555150164.db2.gz RCUKABCHTKFLLA-HOGKFDNTSA-N -1 1 520.607 5.305 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102927890 555152615 /nfs/dbraw/zinc/15/26/15/555152615.db2.gz 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O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000150432937 571494212 /nfs/dbraw/zinc/49/42/12/571494212.db2.gz QOFHDDDIGAFIMP-JOCHJYFZSA-N -1 1 616.460 5.974 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000150435025 571495078 /nfs/dbraw/zinc/49/50/78/571495078.db2.gz FPVFTTCDKDOMTH-AYWGPLOBSA-N -1 1 630.506 6.674 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000150435474 571495475 /nfs/dbraw/zinc/49/54/75/571495475.db2.gz WCLVVDIDEIZFQI-GKYPKFCBSA-N -1 1 705.858 8.066 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000150435767 571495700 /nfs/dbraw/zinc/49/57/00/571495700.db2.gz IJMKAPJDDWCSKR-YPEQYFKQSA-N -1 1 648.737 7.288 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000150435800 571495825 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CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445312 571500399 /nfs/dbraw/zinc/50/03/99/571500399.db2.gz XQWYNSVFGAVIIY-MIOXIQPJSA-N -1 1 656.713 6.003 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150445394 571500423 /nfs/dbraw/zinc/50/04/23/571500423.db2.gz YYLBGXYSIQNAHO-TXTDGAROSA-N -1 1 658.729 6.168 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445326 571500444 /nfs/dbraw/zinc/50/04/44/571500444.db2.gz DBTSEWGIPDXBLH-QMMFTLRZSA-N -1 1 668.724 6.170 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150445614 571500735 /nfs/dbraw/zinc/50/07/35/571500735.db2.gz NOTAMKLKMUQBEA-ONQGDUAMSA-N -1 1 644.702 5.778 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445869 571500998 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C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457422 571505008 /nfs/dbraw/zinc/50/50/08/571505008.db2.gz GOTFXUMMRMZYHF-DNNDWWBDSA-N -1 1 641.771 6.744 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457833 571505191 /nfs/dbraw/zinc/50/51/91/571505191.db2.gz NGDBHKLVKGCDLV-HYVCFMKYSA-N -1 1 678.232 7.621 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150459201 571505672 /nfs/dbraw/zinc/50/56/72/571505672.db2.gz DKYTYDLUXGBXFD-NNZNMFTDSA-N -1 1 665.768 7.498 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150459188 571505710 /nfs/dbraw/zinc/50/57/10/571505710.db2.gz HGKKTZNKTYTPJK-ROBPHKHBSA-N -1 1 634.179 7.222 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150459209 571505754 /nfs/dbraw/zinc/50/57/54/571505754.db2.gz DKYTYDLUXGBXFD-RIEKNRFYSA-N -1 1 665.768 7.498 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150461448 571506363 /nfs/dbraw/zinc/50/63/63/571506363.db2.gz NWBXBFHSXWCVNY-VMFRQMAUSA-N -1 1 631.751 7.098 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150461184 571506420 /nfs/dbraw/zinc/50/64/20/571506420.db2.gz MCJRIDKPEDKFFD-HWTUVFLMSA-N -1 1 696.678 8.656 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150463334 571507071 /nfs/dbraw/zinc/50/70/71/571507071.db2.gz JRXFWVPVMBRSDX-WKHTWXOLSA-N -1 1 641.496 5.221 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463445 571507301 /nfs/dbraw/zinc/50/73/01/571507301.db2.gz GWEAJFAZYLBVED-PYCUTIABSA-N -1 1 663.821 8.112 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150463867 571507492 /nfs/dbraw/zinc/50/74/92/571507492.db2.gz GHIQIZFTIAXKMO-GSYBUTJLSA-N -1 1 657.814 7.358 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150465554 571507824 /nfs/dbraw/zinc/50/78/24/571507824.db2.gz LSQFNIMMUNAZDD-NNZNMFTDSA-N -1 1 706.286 8.401 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150467666 571508240 /nfs/dbraw/zinc/50/82/40/571508240.db2.gz QTWKMCUUIUGIDG-MIOXIQPJSA-N -1 1 637.739 6.780 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150469578 571508880 /nfs/dbraw/zinc/50/88/80/571508880.db2.gz SSYOSIZMFQTOLQ-DFXXOVSGSA-N -1 1 647.750 6.792 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150469638 571508888 /nfs/dbraw/zinc/50/88/88/571508888.db2.gz YZGVDIIXQZDQFR-HYVCFMKYSA-N -1 1 676.216 7.397 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150471592 571509621 /nfs/dbraw/zinc/50/96/21/571509621.db2.gz NKLITVLXWCXDHB-HYVCFMKYSA-N -1 1 678.232 7.621 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150477246 571511320 /nfs/dbraw/zinc/51/13/20/571511320.db2.gz QNALETOPSUWILV-VEZPTTSMSA-N -1 1 651.766 7.170 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150480382 571511903 /nfs/dbraw/zinc/51/19/03/571511903.db2.gz WYANABXJEOPBAU-WGGXKBPPSA-N -1 1 677.776 6.945 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150486753 571516581 /nfs/dbraw/zinc/51/65/81/571516581.db2.gz OFJQFMSNVJIRTN-YSJQHINGSA-N -1 1 716.668 8.666 50 30 KKEAMM O=[P@]([O-])(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000158896861 571529968 /nfs/dbraw/zinc/52/99/68/571529968.db2.gz PMWXDQPVJHEZJK-UHFFFAOYSA-N -1 1 628.109 6.834 50 30 KKEAMM COc1ccc(-c2oc(N=Cc3cc(Br)ccc3[O-])c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000252634994 572271729 /nfs/dbraw/zinc/27/17/29/572271729.db2.gz WSUQECQZFOIGPH-UHFFFAOYSA-N -1 1 503.352 6.721 50 30 KKEAMM Cc1c(C)c(COc2ccc(/C=N\[O-])c(OCc3c(C)c(C)c(Br)c(C)c3C)c2)c(C)c(C)c1Br ZINC000100366317 1069733684 /nfs/dbraw/zinc/73/36/84/1069733684.db2.gz OUTHCBFASMWVMS-ULTCEKQJSA-N -1 1 603.395 8.645 50 30 KKEAMM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)[n-]n1C(C)C)[C@@H]2c1cc(OC)c(OC)cc1OC ZINC000824567481 1071282954 /nfs/dbraw/zinc/28/29/54/1071282954.db2.gz UWQLVRCDLIYZLB-KPCKUBKCSA-N -1 1 640.089 5.301 50 30 KKEAMM CCn1c2ccccc2c2cc(CN=Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[N+](=O)[O-])ccc21 ZINC000254341385 1072847466 /nfs/dbraw/zinc/84/74/66/1072847466.db2.gz PPRVRDZWBXKHDM-UHFFFAOYSA-N -1 1 513.579 5.969 50 30 KKEAMM O=C(N=C1c2ccccc2CN1c1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccccc1F ZINC000254696214 1072869768 /nfs/dbraw/zinc/86/97/68/1072869768.db2.gz JCJZKNCUSHIWCL-UHFFFAOYSA-N -1 1 622.644 6.853 50 30 KKEAMM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(N=NCc2c3ccccc3[nH]c2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000254895394 1072888986 /nfs/dbraw/zinc/88/89/86/1072888986.db2.gz NYOIKECKKDMGLT-UHFFFAOYSA-N -1 1 555.572 5.688 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000000631213 551505129 /nfs/dbraw/zinc/50/51/29/551505129.db2.gz JOANBNJPZGGBRV-IBGZPJMESA-N -1 1 541.423 5.482 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(OCc3ccccc3)cc2)nc1C ZINC000000702939 551529775 /nfs/dbraw/zinc/52/97/75/551529775.db2.gz SYPKFDTXRRYTAT-MHZLTWQESA-N -1 1 564.619 6.762 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000000703143 551530633 /nfs/dbraw/zinc/53/06/33/551530633.db2.gz YVWZJIHBSZULEM-AREMUKBSSA-N -1 1 556.596 6.241 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000000703143 551530638 /nfs/dbraw/zinc/53/06/38/551530638.db2.gz YVWZJIHBSZULEM-AREMUKBSSA-N -1 1 556.596 6.241 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(C)c(Br)c3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000000720401 551537243 /nfs/dbraw/zinc/53/72/43/551537243.db2.gz UAMWCNDXKMLXJX-DEOSSOPVSA-N -1 1 538.394 5.566 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@H]2c1ccc2c(c1)OCO2 ZINC000000959808 551590070 /nfs/dbraw/zinc/59/00/70/551590070.db2.gz BJJWHSLYBRLZQS-NRFANRHFSA-N -1 1 505.571 5.131 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)[n-]c(=O)c1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000000959793 551590075 /nfs/dbraw/zinc/59/00/75/551590075.db2.gz ZWTKZYFDOZEYQP-HXUWFJFHSA-N -1 1 506.559 5.722 50 30 KKEAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243788 551631257 /nfs/dbraw/zinc/63/12/57/551631257.db2.gz SEZWZILQHINOLR-JRPXNJEYSA-N -1 1 542.563 5.378 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001449135 551674557 /nfs/dbraw/zinc/67/45/57/551674557.db2.gz CODFUXKYASYJKR-RUZDIDTESA-N -1 1 546.601 5.504 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001449135 551674558 /nfs/dbraw/zinc/67/45/58/551674558.db2.gz CODFUXKYASYJKR-RUZDIDTESA-N -1 1 546.601 5.504 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1C ZINC000001450356 551675116 /nfs/dbraw/zinc/67/51/16/551675116.db2.gz MSFPJXKBLHUPFZ-DEOSSOPVSA-N -1 1 530.602 5.722 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000001450200 551675345 /nfs/dbraw/zinc/67/53/45/551675345.db2.gz ZXZFDGRVPMENAU-LJQANCHMSA-N -1 1 517.415 6.456 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001450362 551675565 /nfs/dbraw/zinc/67/55/65/551675565.db2.gz JRXXMSIAYUOAQO-VWLOTQADSA-N -1 1 546.601 5.422 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000001450360 551675661 /nfs/dbraw/zinc/67/56/61/551675661.db2.gz XOAUMGMPCKCPDB-VWLOTQADSA-N -1 1 560.628 5.730 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000001451415 551675966 /nfs/dbraw/zinc/67/59/66/551675966.db2.gz GJSHMAYULYUFJU-RUZDIDTESA-N -1 1 530.602 5.722 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cc(OC)ccc2OC)c1 ZINC000001451418 551675988 /nfs/dbraw/zinc/67/59/88/551675988.db2.gz QHMZDNVKJXCZKS-VWLOTQADSA-N -1 1 530.602 5.722 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000001451410 551676027 /nfs/dbraw/zinc/67/60/27/551676027.db2.gz MTBHJPZZOUEDQD-VWLOTQADSA-N -1 1 544.629 6.058 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)c1 ZINC000001451417 551676060 /nfs/dbraw/zinc/67/60/60/551676060.db2.gz RTUGQSZSPYDAJR-XMMPIXPASA-N -1 1 530.602 5.722 50 30 KKEAMM COc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001453808 551676389 /nfs/dbraw/zinc/67/63/89/551676389.db2.gz MNVGOQCVRBJFQQ-QJWGWKRISA-N -1 1 556.615 5.478 50 30 biogenic KKEAMM CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000001457584 551677310 /nfs/dbraw/zinc/67/73/10/551677310.db2.gz VRQJMAFWZJYLJT-ICACTRECSA-N -1 1 567.642 6.658 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001480875 551682176 /nfs/dbraw/zinc/68/21/76/551682176.db2.gz CCODETKKUHIECG-XMMPIXPASA-N -1 1 534.565 5.634 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000001480889 551682337 /nfs/dbraw/zinc/68/23/37/551682337.db2.gz AGQTUPPSZHSHEG-HXUWFJFHSA-N -1 1 541.448 6.302 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482279 551682669 /nfs/dbraw/zinc/68/26/69/551682669.db2.gz VVNBBCURURQOMW-QHCPKHFHSA-N -1 1 551.020 6.067 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000001482279 551682670 /nfs/dbraw/zinc/68/26/70/551682670.db2.gz VVNBBCURURQOMW-QHCPKHFHSA-N -1 1 551.020 6.067 50 30 KKEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000001746188 551691891 /nfs/dbraw/zinc/69/18/91/551691891.db2.gz UZIDWSNWWMEQIF-QFIPXVFZSA-N -1 1 536.338 5.099 50 30 KKEAMM CCCCCCCCCn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1[O-] ZINC000001773235 551696914 /nfs/dbraw/zinc/69/69/14/551696914.db2.gz RTMXINYGXZAFRQ-UHFFFAOYSA-N -1 1 523.313 7.630 50 30 KKEAMM O=C1c2ccccc2[C@@]2(c3ccccc3)N(C(=S)[N-]P(=O)(OCC(F)(F)F)OCC(F)(F)F)CCN12 ZINC000001823555 551709388 /nfs/dbraw/zinc/70/93/88/551709388.db2.gz HKHHDUCGDZJRNN-OAQYLSRUSA-N -1 1 553.421 5.211 50 30 KKEAMM O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2[O-])cc1)c1ccc(Cl)cc1Cl ZINC000001947861 551735147 /nfs/dbraw/zinc/73/51/47/551735147.db2.gz DFEWBBZEXLTZOQ-WCMJOSRZSA-N -1 1 554.271 8.055 50 30 KKEAMM Cc1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5)cc(Br)c4[O-])ccc3o2)cc1C ZINC000002216100 551794993 /nfs/dbraw/zinc/79/49/93/551794993.db2.gz JQSQWPYVTLVEMI-KBVAKVRCSA-N -1 1 511.419 7.921 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451437 552077950 /nfs/dbraw/zinc/07/79/50/552077950.db2.gz VJHHTPBDBGPSGJ-HSZRJFAPSA-N -1 1 534.590 5.569 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451443 552078050 /nfs/dbraw/zinc/07/80/50/552078050.db2.gz XWQPUJVNDOLOPZ-RUZDIDTESA-N -1 1 560.628 5.676 50 30 KKEAMM CC1(C)SC(=S)N(/N=C/c2c(O)ccc3ccccc32)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002266712 552085422 /nfs/dbraw/zinc/08/54/22/552085422.db2.gz UQUSFDNWGMJVLL-KSRKCLLLSA-N -1 1 535.478 6.548 50 30 KKEAMM COc1ccc(-c2oc(/N=C/c3cc(Br)ccc3[O-])c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000002276288 552086672 /nfs/dbraw/zinc/08/66/72/552086672.db2.gz WSUQECQZFOIGPH-WKULSOCRSA-N -1 1 503.352 6.721 50 30 KKEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000002719310 552163608 /nfs/dbraw/zinc/16/36/08/552163608.db2.gz IZEDTGGCHHNOGZ-OAQYLSRUSA-N -1 1 540.041 5.718 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccc([N+](=O)[O-])cc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002719439 552163708 /nfs/dbraw/zinc/16/37/08/552163708.db2.gz QDBCJMIWQYYYJT-QFIPXVFZSA-N -1 1 548.621 5.601 50 30 KKEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002719485 552164000 /nfs/dbraw/zinc/16/40/00/552164000.db2.gz DUSVZTJKOPQOTH-QFIPXVFZSA-N -1 1 538.069 6.346 50 30 KKEAMM CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c2nc(C)cc3C)cc1 ZINC000003918293 552422277 /nfs/dbraw/zinc/42/22/77/552422277.db2.gz RINPELQWLUGERM-UHFFFAOYSA-N -1 1 582.792 7.005 50 30 in-vivo KKEAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N3)c1 ZINC000004793548 552485299 /nfs/dbraw/zinc/48/52/99/552485299.db2.gz FENGZFQXWPSJTE-NRFANRHFSA-N -1 1 536.495 6.334 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(F)c3)[n-]c(=O)c1[C@H]2c1ccc(Br)cc1 ZINC000004793616 552485461 /nfs/dbraw/zinc/48/54/61/552485461.db2.gz QFQSWWREKORVEW-FQEVSTJZSA-N -1 1 540.458 6.577 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000005355402 552498532 /nfs/dbraw/zinc/49/85/32/552498532.db2.gz ZTTPAHRKSMIUSE-JOCHJYFZSA-N -1 1 538.597 5.647 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000005357365 552499611 /nfs/dbraw/zinc/49/96/11/552499611.db2.gz RSFDOCJTSCUAEZ-XMMPIXPASA-N -1 1 546.645 6.018 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000005919055 552512383 /nfs/dbraw/zinc/51/23/83/552512383.db2.gz NFYUGKOCLDNTME-JOCHJYFZSA-N -1 1 538.597 5.647 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000005919088 552512493 /nfs/dbraw/zinc/51/24/93/552512493.db2.gz UYHZLQLCXOSFCG-QHCPKHFHSA-N -1 1 567.063 6.328 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000005919776 552512668 /nfs/dbraw/zinc/51/26/68/552512668.db2.gz PULSUVPUEGLVNU-QFIPXVFZSA-N -1 1 553.036 5.938 50 30 KKEAMM Cc1ccc(NC(=NC(=O)c2ccccc2)Nc2nc(CSc3nc4ccccc4s3)cc(=O)[n-]2)cc1 ZINC000005941791 552514075 /nfs/dbraw/zinc/51/40/75/552514075.db2.gz MXJQFMURIDJZPK-UHFFFAOYSA-N -1 1 526.647 5.701 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000006017175 552519916 /nfs/dbraw/zinc/51/99/16/552519916.db2.gz QBMNYVTUWLMCMH-HXUWFJFHSA-N 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/nfs/dbraw/zinc/98/61/89/552986189.db2.gz IPBPZHSEKPYXRD-LJAQVGFWSA-N -1 1 635.698 8.291 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1cccc(Br)c1 ZINC000008383403 552986533 /nfs/dbraw/zinc/98/65/33/552986533.db2.gz AHXODZTYNANUHV-HSZRJFAPSA-N -1 1 638.952 7.775 50 30 KKEAMM CN(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000008383482 552986788 /nfs/dbraw/zinc/98/67/88/552986788.db2.gz QBCSYXCOUMFUIC-RUZDIDTESA-N -1 1 586.670 6.565 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000008383952 552988095 /nfs/dbraw/zinc/98/80/95/552988095.db2.gz WHKCTFNTUDPLDT-DEOSSOPVSA-N -1 1 608.528 7.975 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000008384014 552988734 /nfs/dbraw/zinc/98/87/34/552988734.db2.gz ONBSTHHNWJIZGF-MHZLTWQESA-N -1 1 581.719 7.791 50 30 KKEAMM O=C([O-])c1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2ccc(Br)cc2)c1 ZINC000008385609 552991124 /nfs/dbraw/zinc/99/11/24/552991124.db2.gz BYKPKSAUTPHETQ-FQEVSTJZSA-N -1 1 557.194 5.693 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[n-]c(=O)c1[C@@H]2c1ccc(Cl)cc1Cl ZINC000008426395 553018396 /nfs/dbraw/zinc/01/83/96/553018396.db2.gz ANPRVURRGGSACO-HXUWFJFHSA-N -1 1 512.462 6.570 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000008439947 553036261 /nfs/dbraw/zinc/03/62/61/553036261.db2.gz WGMCTADMNJJVJO-FQEVSTJZSA-N -1 1 536.731 6.904 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000008441050 553039202 /nfs/dbraw/zinc/03/92/02/553039202.db2.gz OPTCLZWHRPTWDW-HSZRJFAPSA-N -1 1 549.446 6.467 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1O ZINC000008441147 553039498 /nfs/dbraw/zinc/03/94/98/553039498.db2.gz ARNGKNAOMGZCSL-QFIPXVFZSA-N -1 1 518.547 5.288 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccccc1 ZINC000008441206 553039808 /nfs/dbraw/zinc/03/98/08/553039808.db2.gz GABZBWAMDYUSHL-QHCPKHFHSA-N -1 1 525.611 6.360 50 30 KKEAMM O=C(c1cc2ccccc2o1)C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccccc1F ZINC000008441265 553040076 /nfs/dbraw/zinc/04/00/76/553040076.db2.gz XEOVDIIBNWMQMX-HSZRJFAPSA-N -1 1 543.601 6.499 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000008441654 553041439 /nfs/dbraw/zinc/04/14/39/553041439.db2.gz RIJJXMAWOOXCEI-QHCPKHFHSA-N -1 1 535.408 7.441 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000008441751 553042265 /nfs/dbraw/zinc/04/22/65/553042265.db2.gz GNMSVYBOOIBCOP-PMERELPUSA-N -1 1 612.704 7.802 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000008441785 553042352 /nfs/dbraw/zinc/04/23/52/553042352.db2.gz ZGNHSNGTBBMWSE-LJAQVGFWSA-N 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CMQIYYIWWAPCCD-XMMPIXPASA-N -1 1 518.566 5.798 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008740274 553132141 /nfs/dbraw/zinc/13/21/41/553132141.db2.gz ZAXFZEJSQQUCBL-DEOSSOPVSA-N -1 1 500.576 5.713 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008740707 553132448 /nfs/dbraw/zinc/13/24/48/553132448.db2.gz JMUVNZQYDRPQIU-DEOSSOPVSA-N -1 1 500.576 5.659 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008743353 553133481 /nfs/dbraw/zinc/13/34/81/553133481.db2.gz IDGOCQGLQQYRSG-HSZRJFAPSA-N -1 1 500.576 5.659 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000008817097 553152379 /nfs/dbraw/zinc/15/23/79/553152379.db2.gz CEXRSWUHIXTHEW-QFIPXVFZSA-N -1 1 520.538 5.244 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008836676 553163152 /nfs/dbraw/zinc/16/31/52/553163152.db2.gz SEXSWBQPTIBYIW-FQEVSTJZSA-N -1 1 510.999 5.798 50 30 KKEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000008837592 553163992 /nfs/dbraw/zinc/16/39/92/553163992.db2.gz MNBUAVHSQDJVGP-JOCHJYFZSA-N -1 1 520.994 6.058 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1OC ZINC000008837592 553163994 /nfs/dbraw/zinc/16/39/94/553163994.db2.gz MNBUAVHSQDJVGP-JOCHJYFZSA-N -1 1 520.994 6.058 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)s1 ZINC000008845800 553165741 /nfs/dbraw/zinc/16/57/41/553165741.db2.gz QVLMGPHPSVYOLO-UPCLLVRISA-N -1 1 519.623 5.378 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)s1 ZINC000008845800 553165743 /nfs/dbraw/zinc/16/57/43/553165743.db2.gz QVLMGPHPSVYOLO-UPCLLVRISA-N -1 1 519.623 5.378 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000008894022 553177181 /nfs/dbraw/zinc/17/71/81/553177181.db2.gz SREDVBSOOZCYOI-HSZRJFAPSA-N -1 1 515.547 5.613 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008894130 553177566 /nfs/dbraw/zinc/17/75/66/553177566.db2.gz VDENTRCCZPUCGY-QHCPKHFHSA-N -1 1 504.995 6.304 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008894130 553177567 /nfs/dbraw/zinc/17/75/67/553177567.db2.gz VDENTRCCZPUCGY-QHCPKHFHSA-N -1 1 504.995 6.304 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000008896778 553179065 /nfs/dbraw/zinc/17/90/65/553179065.db2.gz VZUVENCFYAVSQI-QHCPKHFHSA-N -1 1 504.995 6.304 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000008896778 553179068 /nfs/dbraw/zinc/17/90/68/553179068.db2.gz VZUVENCFYAVSQI-QHCPKHFHSA-N -1 1 504.995 6.304 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008901725 553182318 /nfs/dbraw/zinc/18/23/18/553182318.db2.gz HBXMZNASBQWDKM-QFIPXVFZSA-N -1 1 506.967 5.750 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008905332 553183686 /nfs/dbraw/zinc/18/36/86/553183686.db2.gz LAGAEHJIWSIZLF-JOCHJYFZSA-N -1 1 506.536 5.088 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1 ZINC000008919185 553188797 /nfs/dbraw/zinc/18/87/97/553188797.db2.gz PJASOWRYNXOEHB-OAQYLSRUSA-N -1 1 506.580 5.200 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008921513 553189748 /nfs/dbraw/zinc/18/97/48/553189748.db2.gz FIHNUAXSLKSOLA-HSZRJFAPSA-N -1 1 516.575 5.495 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000008973900 553195531 /nfs/dbraw/zinc/19/55/31/553195531.db2.gz HILLUZFCIUFNFG-HSZRJFAPSA-N -1 1 520.994 6.140 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000008996660 553197498 /nfs/dbraw/zinc/19/74/98/553197498.db2.gz CJVKOFGOSGUZRM-XMMPIXPASA-N -1 1 516.575 5.413 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000009007522 553198083 /nfs/dbraw/zinc/19/80/83/553198083.db2.gz ODKSXVSPCKEJCS-DEOSSOPVSA-N -1 1 516.575 5.495 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009007733 553198263 /nfs/dbraw/zinc/19/82/63/553198263.db2.gz YMAALPSYAPXXLK-XMMPIXPASA-N -1 1 516.575 5.495 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009007733 553198266 /nfs/dbraw/zinc/19/82/66/553198266.db2.gz YMAALPSYAPXXLK-XMMPIXPASA-N -1 1 516.575 5.495 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009008554 553199009 /nfs/dbraw/zinc/19/90/09/553199009.db2.gz OHRCOWDETXBVIP-DEOSSOPVSA-N -1 1 502.567 6.350 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009008614 553199063 /nfs/dbraw/zinc/19/90/63/553199063.db2.gz METGUHAPAYEERY-QFIPXVFZSA-N -1 1 520.563 5.397 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009012091 553199893 /nfs/dbraw/zinc/19/98/93/553199893.db2.gz MEZMNOLDGUIJQP-HSZRJFAPSA-N -1 1 513.468 5.514 50 30 KKEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)sc1C ZINC000009041127 553202236 /nfs/dbraw/zinc/20/22/36/553202236.db2.gz SXUHVBXUZOTSBL-GOSISDBHSA-N -1 1 503.805 5.959 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000009043395 553202939 /nfs/dbraw/zinc/20/29/39/553202939.db2.gz JQULZTSBYZYPQM-JOCHJYFZSA-N -1 1 503.511 5.743 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000009044581 553203238 /nfs/dbraw/zinc/20/32/38/553203238.db2.gz LBJWOQXZOYMTNO-DEOSSOPVSA-N -1 1 518.566 5.852 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009045881 553203531 /nfs/dbraw/zinc/20/35/31/553203531.db2.gz OXQMLXXWPYDWRM-DEOSSOPVSA-N -1 1 517.050 7.339 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009046182 553203727 /nfs/dbraw/zinc/20/37/27/553203727.db2.gz TXLLBMNJJKSNRJ-DEOSSOPVSA-N -1 1 519.022 6.748 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009046211 553203838 /nfs/dbraw/zinc/20/38/38/553203838.db2.gz KQDRJNTXSZRWEA-DEOSSOPVSA-N -1 1 502.567 6.234 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009046650 553204317 /nfs/dbraw/zinc/20/43/17/553204317.db2.gz DBRLPKHVHGDHKT-HSZRJFAPSA-N -1 1 504.995 6.440 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009046650 553204318 /nfs/dbraw/zinc/20/43/18/553204318.db2.gz DBRLPKHVHGDHKT-HSZRJFAPSA-N -1 1 504.995 6.440 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009070434 553207095 /nfs/dbraw/zinc/20/70/95/553207095.db2.gz QVEBURRQPHXAFU-QFIPXVFZSA-N -1 1 506.536 5.088 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009110412 553210090 /nfs/dbraw/zinc/21/00/90/553210090.db2.gz KVGYXAFVDDITRO-FQEVSTJZSA-N -1 1 502.286 6.251 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009123745 553212539 /nfs/dbraw/zinc/21/25/39/553212539.db2.gz XKEHJZWZHCCZKQ-JOCHJYFZSA-N -1 1 502.548 5.384 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000009124624 553213074 /nfs/dbraw/zinc/21/30/74/553213074.db2.gz IYVQHWRGNQWVKH-MZNJEOGPSA-N -1 1 504.608 5.674 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(OC)c2OC)cc1Cl ZINC000009175814 553216211 /nfs/dbraw/zinc/21/62/11/553216211.db2.gz OAFUMWCGVBPAFV-FQEVSTJZSA-N -1 1 514.987 5.222 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009185134 553217018 /nfs/dbraw/zinc/21/70/18/553217018.db2.gz MAWVTPXXPIUPOD-JOCHJYFZSA-N -1 1 502.523 5.313 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009186559 553217705 /nfs/dbraw/zinc/21/77/05/553217705.db2.gz BRWYLTNWHFLIOX-HSZRJFAPSA-N -1 1 520.994 6.058 50 30 KKEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000009186559 553217707 /nfs/dbraw/zinc/21/77/07/553217707.db2.gz BRWYLTNWHFLIOX-HSZRJFAPSA-N -1 1 520.994 6.058 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccnc2)cc1 ZINC000009192933 553218963 /nfs/dbraw/zinc/21/89/63/553218963.db2.gz WPCTYBLOLQIKOC-OAQYLSRUSA-N -1 1 500.605 5.317 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009232559 553223828 /nfs/dbraw/zinc/22/38/28/553223828.db2.gz ZZIWSQCEJPVQRH-HSZRJFAPSA-N -1 1 504.539 5.544 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000009232559 553223830 /nfs/dbraw/zinc/22/38/30/553223830.db2.gz ZZIWSQCEJPVQRH-HSZRJFAPSA-N -1 1 504.539 5.544 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000009234513 553224983 /nfs/dbraw/zinc/22/49/83/553224983.db2.gz BSBGAGJEKSAPKA-HNNXBMFYSA-N -1 1 509.392 5.389 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009240104 553226140 /nfs/dbraw/zinc/22/61/40/553226140.db2.gz JGCZZOKMRGONRC-HSZRJFAPSA-N -1 1 504.539 5.626 50 30 KKEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000009270364 553230226 /nfs/dbraw/zinc/23/02/26/553230226.db2.gz XQVROPNJVUWEAI-YDJIHCHBSA-N -1 1 506.780 5.169 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009271031 553230405 /nfs/dbraw/zinc/23/04/05/553230405.db2.gz CGXPQZSFJASLLF-DEOSSOPVSA-N -1 1 516.575 5.413 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000009271631 553231353 /nfs/dbraw/zinc/23/13/53/553231353.db2.gz IVSYAGHANLVPPI-FQEVSTJZSA-N -1 1 513.413 5.704 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000009280155 553232867 /nfs/dbraw/zinc/23/28/67/553232867.db2.gz GSKVOQPNQDWYLT-LJQANCHMSA-N -1 1 511.353 5.443 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000009280230 553233107 /nfs/dbraw/zinc/23/31/07/553233107.db2.gz JOWFCEZEDLFOLF-VWLOTQADSA-N -1 1 517.050 7.473 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009280170 553233148 /nfs/dbraw/zinc/23/31/48/553233148.db2.gz ABTBBOOURYHACK-JOCHJYFZSA-N -1 1 508.958 6.270 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000009301867 553236145 /nfs/dbraw/zinc/23/61/45/553236145.db2.gz VRGDQEYRBDUDDF-XMMPIXPASA-N -1 1 500.576 5.795 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009302124 553236222 /nfs/dbraw/zinc/23/62/22/553236222.db2.gz YBZDPECCCBQMQD-FQEVSTJZSA-N -1 1 508.577 5.167 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009329204 553242251 /nfs/dbraw/zinc/24/22/51/553242251.db2.gz KTHRUTZRWJENTO-AREMUKBSSA-N -1 1 520.582 5.742 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000009329484 553242386 /nfs/dbraw/zinc/24/23/86/553242386.db2.gz HNNJYIFHCVQULG-APBUJDDRSA-N -1 1 502.379 5.260 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000009334004 553243055 /nfs/dbraw/zinc/24/30/55/553243055.db2.gz DEGPPSAZUPETCF-HSZRJFAPSA-N -1 1 518.660 6.837 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000009357341 553246914 /nfs/dbraw/zinc/24/69/14/553246914.db2.gz CHDTWOHWBIDZTA-HXUWFJFHSA-N -1 1 513.384 5.305 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000009357586 553247001 /nfs/dbraw/zinc/24/70/01/553247001.db2.gz NABRQUAGHFVATO-OYLFLEFRSA-N -1 1 500.551 5.850 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000009359348 553247948 /nfs/dbraw/zinc/24/79/48/553247948.db2.gz VBNFHPOCQLGNLN-VWLOTQADSA-N -1 1 514.603 6.049 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)nc2c(C)c1 ZINC000009360115 553248216 /nfs/dbraw/zinc/24/82/16/553248216.db2.gz LXKXCRQYJLHYDN-LMKMVOKYSA-N -1 1 514.578 6.159 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)nc2c(C)c1 ZINC000009360595 553248429 /nfs/dbraw/zinc/24/84/29/553248429.db2.gz DHHOLAKJHAMZFD-PUAOIOHZSA-N -1 1 514.578 6.159 50 30 KKEAMM O=C1C(=O)N(c2cccc(Br)c2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000009370753 553250153 /nfs/dbraw/zinc/25/01/53/553250153.db2.gz BPVWMMFUXTZOQS-FQEVSTJZSA-N -1 1 513.185 5.995 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(Br)c2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009370753 553250154 /nfs/dbraw/zinc/25/01/54/553250154.db2.gz BPVWMMFUXTZOQS-FQEVSTJZSA-N -1 1 513.185 5.995 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009375160 553251185 /nfs/dbraw/zinc/25/11/85/553251185.db2.gz ZUQUDOKARGJMAK-DEOSSOPVSA-N -1 1 510.974 5.997 50 30 KKEAMM O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000009380609 553251924 /nfs/dbraw/zinc/25/19/24/553251924.db2.gz AZKKVMQQVUVASK-HXUWFJFHSA-N -1 1 513.185 5.995 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009380609 553251925 /nfs/dbraw/zinc/25/19/25/553251925.db2.gz AZKKVMQQVUVASK-HXUWFJFHSA-N -1 1 513.185 5.995 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccs3)sc2c1 ZINC000009412477 553257589 /nfs/dbraw/zinc/25/75/89/553257589.db2.gz ZHAVJIRSPJDGBY-LFVRLGFBSA-N -1 1 518.616 5.863 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009424761 553258891 /nfs/dbraw/zinc/25/88/91/553258891.db2.gz WTKVLOLDAGTEJY-QHCPKHFHSA-N -1 1 518.978 5.812 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009424761 553258893 /nfs/dbraw/zinc/25/88/93/553258893.db2.gz WTKVLOLDAGTEJY-QHCPKHFHSA-N -1 1 518.978 5.812 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccccc2F)s1 ZINC000009427380 553259854 /nfs/dbraw/zinc/25/98/54/553259854.db2.gz RRTKXFUWDHQQHU-XMMPIXPASA-N -1 1 515.566 5.656 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(C(C)C)cc3)cc2)c1 ZINC000009446225 553265533 /nfs/dbraw/zinc/26/55/33/553265533.db2.gz LEJSYYCGIBGAPM-HHHXNRCGSA-N -1 1 524.642 6.937 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000009451750 553265970 /nfs/dbraw/zinc/26/59/70/553265970.db2.gz GFQCIVYTSJTUPH-VWLOTQADSA-N -1 1 500.507 5.255 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009460942 553267160 /nfs/dbraw/zinc/26/71/60/553267160.db2.gz YIMUDZTWIAUXQA-FQEVSTJZSA-N -1 1 513.384 5.305 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccs2)cc1 ZINC000009462349 553268276 /nfs/dbraw/zinc/26/82/76/553268276.db2.gz QQPSLLOWFXLNTL-IBGZPJMESA-N -1 1 510.593 5.037 50 30 KKEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccs2)cc1 ZINC000009462348 553268360 /nfs/dbraw/zinc/26/83/60/553268360.db2.gz QQPSLLOWFXLNTL-LJQANCHMSA-N -1 1 510.593 5.037 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000009507707 553275979 /nfs/dbraw/zinc/27/59/79/553275979.db2.gz RDWMCVFEKJBWMM-XMMPIXPASA-N -1 1 517.006 6.467 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009601058 553286455 /nfs/dbraw/zinc/28/64/55/553286455.db2.gz YPRBGGORIUNKEU-OAQYLSRUSA-N -1 1 504.951 5.519 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)ccc1O ZINC000009600901 553286475 /nfs/dbraw/zinc/28/64/75/553286475.db2.gz SAQRGKHYTDGLFS-QFIPXVFZSA-N -1 1 506.967 5.837 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)ccc1O ZINC000009600901 553286476 /nfs/dbraw/zinc/28/64/76/553286476.db2.gz SAQRGKHYTDGLFS-QFIPXVFZSA-N -1 1 506.967 5.837 50 30 KKEAMM COc1cccc([C@H]2c3c(=O)[n-]c(SCc4ccc(C)cc4C)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000009942563 553319737 /nfs/dbraw/zinc/31/97/37/553319737.db2.gz DRQHCZXZWIHVKH-HSZRJFAPSA-N -1 1 501.652 5.888 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC(C)C)cc2)c1 ZINC000013553011 553470852 /nfs/dbraw/zinc/47/08/52/553470852.db2.gz YUWQSIFLCDEXMZ-RUZDIDTESA-N -1 1 514.603 6.183 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000013570837 553473866 /nfs/dbraw/zinc/47/38/66/553473866.db2.gz GPQKBGHVUVIGRS-RUZDIDTESA-N -1 1 514.603 6.049 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2)cc1 ZINC000016729532 553575978 /nfs/dbraw/zinc/57/59/78/553575978.db2.gz WDWSMSSKPVYKCP-OAQYLSRUSA-N -1 1 506.580 5.200 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2)cc1 ZINC000016729532 553575980 /nfs/dbraw/zinc/57/59/80/553575980.db2.gz WDWSMSSKPVYKCP-OAQYLSRUSA-N -1 1 506.580 5.200 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000016730286 553576504 /nfs/dbraw/zinc/57/65/04/553576504.db2.gz IWQLOBGCBOXKES-LJQANCHMSA-N -1 1 514.962 5.512 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccncc3)s2)cc1 ZINC000016749904 553580607 /nfs/dbraw/zinc/58/06/07/553580607.db2.gz KPCHFQAKDVFUQS-NRFANRHFSA-N -1 1 518.595 5.456 50 30 KKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4Cl)nc3NC3=C2C(=O)CCC3)cc1OC ZINC000016959800 553585660 /nfs/dbraw/zinc/58/56/60/553585660.db2.gz BNMVRVLRDWJNJR-OAQYLSRUSA-N -1 1 510.015 5.297 50 30 KKEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c(=O)c1[C@H]2c1cccc(F)c1 ZINC000017242314 553590894 /nfs/dbraw/zinc/59/08/94/553590894.db2.gz FKKARROXABPYDX-FQEVSTJZSA-N -1 1 506.559 5.722 50 30 KKEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000017242354 553590949 /nfs/dbraw/zinc/59/09/49/553590949.db2.gz ADUKHUWESFQKCV-JOCHJYFZSA-N -1 1 503.624 5.280 50 30 KKEAMM COc1ccc(OC)c([C@@H]2c3c(=O)[n-]c(SCc4ccc(C)cc4C)nc3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000020134424 553592855 /nfs/dbraw/zinc/59/28/55/553592855.db2.gz BVEAKYIZTUEBJK-DEOSSOPVSA-N -1 1 531.678 5.897 50 30 KKEAMM CC[C@H](C)Oc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000070673742 553604116 /nfs/dbraw/zinc/60/41/16/553604116.db2.gz XCWQBYPGBWDIQW-UNWAGXGRSA-N -1 1 598.696 6.647 50 30 KKEAMM CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)cc(Br)c1[O-] ZINC000019201983 553612790 /nfs/dbraw/zinc/61/27/90/553612790.db2.gz ZVQQIDDRYJSCMJ-QGZVFWFLSA-N -1 1 513.226 5.084 50 30 KKEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000020064400 553675079 /nfs/dbraw/zinc/67/50/79/553675079.db2.gz WXEXHCPMCRXCNI-HXUWFJFHSA-N -1 1 506.780 5.326 50 30 KKEAMM CCCCCCCN1C(=O)N(c2ccc(Cl)cc2)[C@H](N([O-])C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000097949731 553802761 /nfs/dbraw/zinc/80/27/61/553802761.db2.gz UUBYHMPZSNXTFM-JOCHJYFZSA-N -1 1 507.462 7.234 50 30 KKEAMM CCCCCCCN1C(=O)N(c2cccc(Cl)c2)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000097949766 553803155 /nfs/dbraw/zinc/80/31/55/553803155.db2.gz JBEWGXFOHRTWPE-QFIPXVFZSA-N -1 1 507.462 7.234 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000097952388 553815458 /nfs/dbraw/zinc/81/54/58/553815458.db2.gz GLJVJXUPOQAIMJ-XMMPIXPASA-N -1 1 529.574 5.921 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097952441 553815731 /nfs/dbraw/zinc/81/57/31/553815731.db2.gz IKQHRQKCDCTUIZ-HSZRJFAPSA-N -1 1 531.546 5.313 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097952961 553818142 /nfs/dbraw/zinc/81/81/42/553818142.db2.gz QKNUXFNPFNQCCM-AREMUKBSSA-N -1 1 542.613 5.866 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000027021718 553824335 /nfs/dbraw/zinc/82/43/35/553824335.db2.gz KXOOWKBLBSCGDB-HXUWFJFHSA-N -1 1 502.621 5.624 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000097954694 553824692 /nfs/dbraw/zinc/82/46/92/553824692.db2.gz BXFNEQMPROENDU-MHZLTWQESA-N -1 1 534.609 5.988 50 30 KKEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955116 553828825 /nfs/dbraw/zinc/82/88/25/553828825.db2.gz XTCCZDXGNQAXNB-ODCWNRFASA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955116 553828828 /nfs/dbraw/zinc/82/88/28/553828828.db2.gz XTCCZDXGNQAXNB-ODCWNRFASA-N -1 1 547.032 6.455 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000097955233 553830213 /nfs/dbraw/zinc/83/02/13/553830213.db2.gz REEXOHVOGRQKHE-PPGPUPIYSA-N -1 1 648.737 7.389 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097955282 553830719 /nfs/dbraw/zinc/83/07/19/553830719.db2.gz CLJYVZNARKAVQD-SHACYNPGSA-N -1 1 533.005 6.065 50 30 KKEAMM C=CCc1ccccc1OCCOc1c(Br)cc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000027527902 553830921 /nfs/dbraw/zinc/83/09/21/553830921.db2.gz AIBPNFZVRQVLKE-UYRXBGFRSA-N -1 1 506.443 5.973 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000097955630 553831994 /nfs/dbraw/zinc/83/19/94/553831994.db2.gz ATCIFEOOTWDWKI-QJWGWKRISA-N -1 1 604.684 6.990 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955617 553832037 /nfs/dbraw/zinc/83/20/37/553832037.db2.gz WMGDDBWGNABGNP-ODCWNRFASA-N -1 1 547.032 6.455 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955662 553832456 /nfs/dbraw/zinc/83/24/56/553832456.db2.gz MNDYHPRRHDTCDQ-IVCQMTBJSA-N -1 1 540.597 5.498 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000097955700 553832821 /nfs/dbraw/zinc/83/28/21/553832821.db2.gz UYOVYQNSPYFGNZ-IVCQMTBJSA-N -1 1 531.033 6.673 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097955690 553832908 /nfs/dbraw/zinc/83/29/08/553832908.db2.gz LBSUXIAXGXSGIQ-ODCWNRFASA-N -1 1 531.033 6.618 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097955727 553833146 /nfs/dbraw/zinc/83/31/46/553833146.db2.gz RAGZBCVUFQDARK-MQFAKOPTSA-N -1 1 636.701 7.519 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCc1ccccc1 ZINC000097955727 553833147 /nfs/dbraw/zinc/83/31/47/553833147.db2.gz RAGZBCVUFQDARK-MQFAKOPTSA-N -1 1 636.701 7.519 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000097955720 553833161 /nfs/dbraw/zinc/83/31/61/553833161.db2.gz CUFKJRYYJSMKSC-CLYVBNDRSA-N -1 1 540.641 6.500 50 30 KKEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955723 553833173 /nfs/dbraw/zinc/83/31/73/553833173.db2.gz OFJJFZRERNPNDG-CMJOXMDJSA-N -1 1 548.617 5.133 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097955723 553833175 /nfs/dbraw/zinc/83/31/75/553833175.db2.gz OFJJFZRERNPNDG-CMJOXMDJSA-N -1 1 548.617 5.133 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097955737 553833542 /nfs/dbraw/zinc/83/35/42/553833542.db2.gz VLSDSOWSMUFISA-OLILMLBXSA-N -1 1 568.695 7.198 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000097955747 553833606 /nfs/dbraw/zinc/83/36/06/553833606.db2.gz VCIJWGKXDIGZOC-LMKMVOKYSA-N -1 1 541.585 5.928 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097955876 553834894 /nfs/dbraw/zinc/83/48/94/553834894.db2.gz HFXHBJCRGQIUGD-DXPJPUQTSA-N -1 1 542.613 5.810 50 30 KKEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097956550 553839423 /nfs/dbraw/zinc/83/94/23/553839423.db2.gz INPODPIXYPKURC-QMTYFTJSSA-N -1 1 542.588 6.107 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097956550 553839424 /nfs/dbraw/zinc/83/94/24/553839424.db2.gz INPODPIXYPKURC-QMTYFTJSSA-N -1 1 542.588 6.107 50 30 KKEAMM C/C(=N/[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000097965676 553905763 /nfs/dbraw/zinc/90/57/63/553905763.db2.gz YCWSOEUTIGMEGM-JNNAGZRYSA-N -1 1 554.271 5.467 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccccc2)nc1C ZINC000097967150 553914370 /nfs/dbraw/zinc/91/43/70/553914370.db2.gz YWKXLULHBVRDJB-AREMUKBSSA-N -1 1 568.651 6.299 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccccc2)nc1C ZINC000097967150 553914374 /nfs/dbraw/zinc/91/43/74/553914374.db2.gz YWKXLULHBVRDJB-AREMUKBSSA-N -1 1 568.651 6.299 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967241 553915772 /nfs/dbraw/zinc/91/57/72/553915772.db2.gz OWCZTBZZPCETNO-SSEXGKCCSA-N -1 1 606.656 7.041 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967286 553916135 /nfs/dbraw/zinc/91/61/35/553916135.db2.gz QWQAZSRKYZLJHN-MUUNZHRXSA-N -1 1 600.649 5.823 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967286 553916137 /nfs/dbraw/zinc/91/61/37/553916137.db2.gz QWQAZSRKYZLJHN-MUUNZHRXSA-N -1 1 600.649 5.823 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967279 553916230 /nfs/dbraw/zinc/91/62/30/553916230.db2.gz DZQMKVZQHDQYQY-LMKMVOKYSA-N -1 1 589.670 6.084 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967298 553916309 /nfs/dbraw/zinc/91/63/09/553916309.db2.gz PATINVOWOKZNQQ-ADXZGYQBSA-N -1 1 678.232 7.778 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097967316 553916741 /nfs/dbraw/zinc/91/67/41/553916741.db2.gz CHMVSBHKVCKRGA-ROTAYESASA-N -1 1 612.748 7.597 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097967365 553917516 /nfs/dbraw/zinc/91/75/16/553917516.db2.gz OLYIFRFKODBTJX-YRVHBCJASA-N -1 1 600.693 6.599 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000097967437 553918433 /nfs/dbraw/zinc/91/84/33/553918433.db2.gz MDEUDPYMMFEUJI-ADXZGYQBSA-N -1 1 582.678 6.675 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097967514 553919423 /nfs/dbraw/zinc/91/94/23/553919423.db2.gz ZERQKSOSMFROFS-KWMCUTETSA-N -1 1 570.667 6.590 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967488 553919471 /nfs/dbraw/zinc/91/94/71/553919471.db2.gz TWOHJPNVIDZPPN-ADSBAMQRSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097967489 553919527 /nfs/dbraw/zinc/91/95/27/553919527.db2.gz TWOHJPNVIDZPPN-HZAQMHFWSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967494 553919533 /nfs/dbraw/zinc/91/95/33/553919533.db2.gz OZCLRDYLTMVFHI-WRHNGFHOSA-N -1 1 589.113 7.625 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097967494 553919536 /nfs/dbraw/zinc/91/95/36/553919536.db2.gz OZCLRDYLTMVFHI-WRHNGFHOSA-N -1 1 589.113 7.625 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967542 553919655 /nfs/dbraw/zinc/91/96/55/553919655.db2.gz HISILXPXQOTWLV-KEEVHDRGSA-N -1 1 692.259 8.168 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000097967527 553919776 /nfs/dbraw/zinc/91/97/76/553919776.db2.gz ZPMIYTGVFDGHRW-MYODQAERSA-N -1 1 627.900 6.533 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967539 553919820 /nfs/dbraw/zinc/91/98/20/553919820.db2.gz HISILXPXQOTWLV-WENCNXQZSA-N -1 1 692.259 8.168 50 30 KKEAMM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967582 553920607 /nfs/dbraw/zinc/92/06/07/553920607.db2.gz OZZFDJUTXAIBRU-DXPJPUQTSA-N -1 1 559.043 6.621 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967582 553920611 /nfs/dbraw/zinc/92/06/11/553920611.db2.gz OZZFDJUTXAIBRU-DXPJPUQTSA-N -1 1 559.043 6.621 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967607 553920706 /nfs/dbraw/zinc/92/07/06/553920706.db2.gz YFLJRCRWEHLJFX-AFJIDDCJSA-N -1 1 645.778 7.501 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097967617 553921144 /nfs/dbraw/zinc/92/11/44/553921144.db2.gz MSGYGRNGFPCIAK-XUSGNXJCSA-N -1 1 629.485 5.211 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967661 553921320 /nfs/dbraw/zinc/92/13/20/553921320.db2.gz XWMIYMVNVLGIBN-JMQGSBJISA-N -1 1 570.667 6.590 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097967662 553921416 /nfs/dbraw/zinc/92/14/16/553921416.db2.gz XWMIYMVNVLGIBN-KWMCUTETSA-N -1 1 570.667 6.590 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097967682 553921752 /nfs/dbraw/zinc/92/17/52/553921752.db2.gz WPEBPSGZKKPAGL-SSEXGKCCSA-N -1 1 630.719 6.683 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097967731 553922301 /nfs/dbraw/zinc/92/23/01/553922301.db2.gz UKTBPZRMHASWBI-DNOBIOAJSA-N -1 1 620.724 6.312 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097967731 553922302 /nfs/dbraw/zinc/92/23/02/553922302.db2.gz UKTBPZRMHASWBI-DNOBIOAJSA-N -1 1 620.724 6.312 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097967819 553923641 /nfs/dbraw/zinc/92/36/41/553923641.db2.gz FWQHMKPIXDIPLQ-HSZRJFAPSA-N -1 1 646.961 7.345 50 30 KKEAMM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097967874 553924586 /nfs/dbraw/zinc/92/45/86/553924586.db2.gz PJVNFSLGBYOTMJ-LBEKAKSKSA-N -1 1 578.621 7.334 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000097967874 553924589 /nfs/dbraw/zinc/92/45/89/553924589.db2.gz PJVNFSLGBYOTMJ-LBEKAKSKSA-N -1 1 578.621 7.334 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967889 553924881 /nfs/dbraw/zinc/92/48/81/553924881.db2.gz RRCSXHKNYCYNCU-VWLOTQADSA-N -1 1 578.643 5.396 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097967890 553924964 /nfs/dbraw/zinc/92/49/64/553924964.db2.gz RHXPHZLYLMAJNT-MUUNZHRXSA-N -1 1 643.743 6.348 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967924 553925386 /nfs/dbraw/zinc/92/53/86/553925386.db2.gz NNYRPFRHBMAJDH-PMERELPUSA-N -1 1 708.258 8.006 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967945 553925454 /nfs/dbraw/zinc/92/54/54/553925454.db2.gz INNULSKXRJOIHE-SSEXGKCCSA-N -1 1 708.258 8.006 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097967968 553925598 /nfs/dbraw/zinc/92/55/98/553925598.db2.gz SRQXLHYNTGSNKG-QHCPKHFHSA-N -1 1 630.506 6.830 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097967965 553925861 /nfs/dbraw/zinc/92/58/61/553925861.db2.gz WODLKXMAWUSWBT-HSZRJFAPSA-N -1 1 596.061 6.177 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967985 553926078 /nfs/dbraw/zinc/92/60/78/553926078.db2.gz VGQJLTLQXBEQBN-UUWRZZSWSA-N -1 1 723.873 8.505 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097967995 553926087 /nfs/dbraw/zinc/92/60/87/553926087.db2.gz DBRZIJQTLFVCMZ-SANMLTNESA-N -1 1 619.696 6.312 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097968025 553926610 /nfs/dbraw/zinc/92/66/10/553926610.db2.gz IOYMXDUSHLXLET-HSZRJFAPSA-N -1 1 578.071 6.038 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097968067 553926932 /nfs/dbraw/zinc/92/69/32/553926932.db2.gz GXCYNRVWAYZCIF-DEOSSOPVSA-N -1 1 608.097 6.047 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097968065 553927014 /nfs/dbraw/zinc/92/70/14/553927014.db2.gz WSOFNDMMPXWPNK-NDEPHWFRSA-N -1 1 663.749 6.711 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968057 553927066 /nfs/dbraw/zinc/92/70/66/553927066.db2.gz BZVAKFLIKXDIKU-PMERELPUSA-N -1 1 691.803 7.491 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000097968094 553927572 /nfs/dbraw/zinc/92/75/72/553927572.db2.gz GEWMAJFXGGTLMA-HHHXNRCGSA-N -1 1 628.131 7.191 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968129 553927877 /nfs/dbraw/zinc/92/78/77/553927877.db2.gz PBHQDNYFMDEVKP-NDEPHWFRSA-N -1 1 629.760 6.954 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097968145 553928314 /nfs/dbraw/zinc/92/83/14/553928314.db2.gz MVXYXUFQMWNOSH-VWLOTQADSA-N -1 1 615.689 5.480 50 30 KKEAMM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097968147 553928381 /nfs/dbraw/zinc/92/83/81/553928381.db2.gz BLXHVPIOJMWWPB-PMERELPUSA-N -1 1 635.767 7.661 50 30 KKEAMM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097968147 553928385 /nfs/dbraw/zinc/92/83/85/553928385.db2.gz BLXHVPIOJMWWPB-PMERELPUSA-N -1 1 635.767 7.661 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968136 553928436 /nfs/dbraw/zinc/92/84/36/553928436.db2.gz WDSYBBCGYMQJDO-MUUNZHRXSA-N -1 1 647.750 7.093 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000097968214 553929092 /nfs/dbraw/zinc/92/90/92/553929092.db2.gz WOMQDJRIBDVRQM-HSZRJFAPSA-N -1 1 596.061 6.177 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000097968220 553929109 /nfs/dbraw/zinc/92/91/09/553929109.db2.gz GXTGLEXZEVHBKH-JGCGQSQUSA-N -1 1 711.793 7.501 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968195 553929145 /nfs/dbraw/zinc/92/91/45/553929145.db2.gz VRPMESVZMZDYCU-NDEPHWFRSA-N -1 1 698.650 8.116 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097968239 553929645 /nfs/dbraw/zinc/92/96/45/553929645.db2.gz NHTVTTIVFVBWIL-IZHWHUGBSA-N -1 1 594.089 6.729 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097968265 553929928 /nfs/dbraw/zinc/92/99/28/553929928.db2.gz JGABDXVDFVQRKG-DEOSSOPVSA-N -1 1 573.652 5.393 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000097968345 553930718 /nfs/dbraw/zinc/93/07/18/553930718.db2.gz QMZDGQSIGVMSPD-CRYYWNKWSA-N -1 1 554.624 5.976 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097968330 553930798 /nfs/dbraw/zinc/93/07/98/553930798.db2.gz GFBSCROUDFEXJT-VWLOTQADSA-N -1 1 562.644 5.633 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097968381 553931404 /nfs/dbraw/zinc/93/14/04/553931404.db2.gz OLDFETPQTWZVCQ-QJWGWKRISA-N -1 1 716.668 8.823 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968437 553932445 /nfs/dbraw/zinc/93/24/45/553932445.db2.gz CHDCRFVMAUAFHG-NDEPHWFRSA-N -1 1 663.749 6.711 50 30 KKEAMM CCCCCCCCCCCCCCCCn1c2ccccc2nc1/N=C/c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000097968517 553933194 /nfs/dbraw/zinc/93/31/94/553933194.db2.gz UPYBGBGEMYXYGK-BIXQXLNPSA-N -1 1 614.900 10.377 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969178 553937558 /nfs/dbraw/zinc/93/75/58/553937558.db2.gz DZOSDCCNZQUXFW-HFJWLAOPSA-N -1 1 590.698 6.159 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097969178 553937559 /nfs/dbraw/zinc/93/75/59/553937559.db2.gz DZOSDCCNZQUXFW-HFJWLAOPSA-N -1 1 590.698 6.159 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969205 553937761 /nfs/dbraw/zinc/93/77/61/553937761.db2.gz ZWQVZTWMCZGSOH-GEFUHLBYSA-N -1 1 628.747 7.379 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000097969204 553937869 /nfs/dbraw/zinc/93/78/69/553937869.db2.gz ZWQVZTWMCZGSOH-PKHCJMHPSA-N -1 1 628.747 7.379 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969225 553938331 /nfs/dbraw/zinc/93/83/31/553938331.db2.gz MBVPNRQPYLXGBK-MHZLTWQESA-N -1 1 644.702 5.934 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000097969253 553938688 /nfs/dbraw/zinc/93/86/88/553938688.db2.gz MPICMOCLCBGXDP-KWMCUTETSA-N -1 1 570.667 6.590 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969263 553938723 /nfs/dbraw/zinc/93/87/23/553938723.db2.gz FLXMOMVRKGMXGF-LGGPFLRQSA-N -1 1 627.788 7.506 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969296 553939191 /nfs/dbraw/zinc/93/91/91/553939191.db2.gz WUUBQBIYFDFACY-NGOKVRLYSA-N -1 1 613.761 7.116 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)s2)cc1 ZINC000097969301 553939238 /nfs/dbraw/zinc/93/92/38/553939238.db2.gz ZBWYUCRNHVOJPS-CRICUBBOSA-N -1 1 573.671 6.384 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969297 553939403 /nfs/dbraw/zinc/93/94/03/553939403.db2.gz KRRUGKLDGCKFSV-MUUNZHRXSA-N -1 1 602.665 6.047 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969287 553939455 /nfs/dbraw/zinc/93/94/55/553939455.db2.gz MNXPBQDYQVEYAB-HHHXNRCGSA-N -1 1 572.639 6.038 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000097969287 553939456 /nfs/dbraw/zinc/93/94/56/553939456.db2.gz MNXPBQDYQVEYAB-HHHXNRCGSA-N -1 1 572.639 6.038 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000097969346 553940083 /nfs/dbraw/zinc/94/00/83/553940083.db2.gz DNFMFETXZLXHDJ-GDJIYFAZSA-N -1 1 554.668 6.808 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000097969361 553940253 /nfs/dbraw/zinc/94/02/53/553940253.db2.gz VUOXJNAFLMSOLU-NPMABZOXSA-N -1 1 581.875 6.819 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969378 553940487 /nfs/dbraw/zinc/94/04/87/553940487.db2.gz GPTABEQZTVNQGT-UPCLLVRISA-N -1 1 562.644 5.523 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969378 553940490 /nfs/dbraw/zinc/94/04/90/553940490.db2.gz GPTABEQZTVNQGT-UPCLLVRISA-N -1 1 562.644 5.523 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC=C)c2)nc1C ZINC000097969597 553942482 /nfs/dbraw/zinc/94/24/82/553942482.db2.gz GOOTUXARKNMTAR-NSYGIPOTSA-N -1 1 572.639 5.465 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCC=C)c2)nc1C ZINC000097969597 553942487 /nfs/dbraw/zinc/94/24/87/553942487.db2.gz GOOTUXARKNMTAR-NSYGIPOTSA-N -1 1 572.639 5.465 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097969583 553942603 /nfs/dbraw/zinc/94/26/03/553942603.db2.gz AGOLMAVKNGWXDL-HHHXNRCGSA-N -1 1 556.640 6.338 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097969584 553942674 /nfs/dbraw/zinc/94/26/74/553942674.db2.gz AGOLMAVKNGWXDL-MHZLTWQESA-N -1 1 556.640 6.338 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000097969629 553942938 /nfs/dbraw/zinc/94/29/38/553942938.db2.gz VNOLUFFCOHFMTP-WRONEBCDSA-N -1 1 568.695 7.280 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000097969659 553943519 /nfs/dbraw/zinc/94/35/19/553943519.db2.gz SKXFWEJXRCDMKE-MYUZEXMDSA-N -1 1 620.724 6.168 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCCC(C)C ZINC000097969659 553943521 /nfs/dbraw/zinc/94/35/21/553943521.db2.gz SKXFWEJXRCDMKE-MYUZEXMDSA-N -1 1 620.724 6.168 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969656 553943529 /nfs/dbraw/zinc/94/35/29/553943529.db2.gz PFNATTCVDSWBML-PRAQEBQASA-N -1 1 596.705 6.983 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969655 553943535 /nfs/dbraw/zinc/94/35/35/553943535.db2.gz PFNATTCVDSWBML-WRGVRERRSA-N -1 1 596.705 6.983 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097969767 553944623 /nfs/dbraw/zinc/94/46/23/553944623.db2.gz OLPMHUOXIYCYMM-WWOZWPLTSA-N -1 1 590.657 7.204 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969781 553944945 /nfs/dbraw/zinc/94/49/45/553944945.db2.gz MURYTZLSDOZNHE-WYOOIXGGSA-N -1 1 677.848 8.515 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCc1ccccc1 ZINC000097969785 553945040 /nfs/dbraw/zinc/94/50/40/553945040.db2.gz QBRQTJXJXWANIU-HUBRWUETSA-N -1 1 646.765 7.997 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969824 553945408 /nfs/dbraw/zinc/94/54/08/553945408.db2.gz OWHLHBIBEKTIQW-QLXKLKPCSA-N -1 1 620.152 6.989 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000097969813 553945449 /nfs/dbraw/zinc/94/54/49/553945449.db2.gz XOHKPPDYFSDTPN-WENCNXQZSA-N -1 1 598.721 7.207 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097969837 553945666 /nfs/dbraw/zinc/94/56/66/553945666.db2.gz CKWHABROIRLQIV-QUGAMOGWSA-N -1 1 604.681 5.698 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097969837 553945667 /nfs/dbraw/zinc/94/56/67/553945667.db2.gz CKWHABROIRLQIV-QUGAMOGWSA-N -1 1 604.681 5.698 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097969854 553945996 /nfs/dbraw/zinc/94/59/96/553945996.db2.gz VLOZWWNIBNGGET-WENCNXQZSA-N -1 1 692.259 8.168 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000097969945 553947261 /nfs/dbraw/zinc/94/72/61/553947261.db2.gz GYCCKGAWHAJPDB-YHAMSUFESA-N -1 1 570.623 5.588 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000097969945 553947264 /nfs/dbraw/zinc/94/72/64/553947264.db2.gz GYCCKGAWHAJPDB-YHAMSUFESA-N -1 1 570.623 5.588 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097969936 553947323 /nfs/dbraw/zinc/94/73/23/553947323.db2.gz QPJGNPJEKWYLAM-LMKMVOKYSA-N -1 1 617.680 5.862 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970088 553949597 /nfs/dbraw/zinc/94/95/97/553949597.db2.gz ZNGDINUGIZESKQ-SONOPUAISA-N -1 1 649.750 6.877 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000097970100 553949629 /nfs/dbraw/zinc/94/96/29/553949629.db2.gz FVHNFIAVIYRGIR-PMERELPUSA-N -1 1 614.720 7.045 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970122 553949873 /nfs/dbraw/zinc/94/98/73/553949873.db2.gz DEDRDSFMKAOMOW-UZTOHYMASA-N -1 1 599.734 6.644 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970139 553950043 /nfs/dbraw/zinc/95/00/43/553950043.db2.gz PJJNQLWZNIOHEE-HHHXNRCGSA-N -1 1 570.623 5.814 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000097970139 553950046 /nfs/dbraw/zinc/95/00/46/553950046.db2.gz PJJNQLWZNIOHEE-HHHXNRCGSA-N -1 1 570.623 5.814 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970179 553950389 /nfs/dbraw/zinc/95/03/89/553950389.db2.gz KVDBZCQTBICYFG-VWLOTQADSA-N -1 1 592.670 5.607 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970157 553950442 /nfs/dbraw/zinc/95/04/42/553950442.db2.gz IMYGHNOCBHLWCD-QMTYFTJSSA-N -1 1 576.671 5.948 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097970157 553950447 /nfs/dbraw/zinc/95/04/47/553950447.db2.gz IMYGHNOCBHLWCD-QMTYFTJSSA-N -1 1 576.671 5.948 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097970191 553950877 /nfs/dbraw/zinc/95/08/77/553950877.db2.gz OHNHVGRDRMNJPG-BGOLNKOXSA-N -1 1 689.831 8.044 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097970218 553951234 /nfs/dbraw/zinc/95/12/34/553951234.db2.gz XDUHDAMLSZHPOU-SONOPUAISA-N -1 1 696.678 8.813 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)ccc1OCCC(C)C ZINC000097970268 553951531 /nfs/dbraw/zinc/95/15/31/553951531.db2.gz SWPMDHAPUGPLSN-KCEHZKJRSA-N -1 1 626.775 7.843 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970248 553951560 /nfs/dbraw/zinc/95/15/60/553951560.db2.gz MHLZOTAOWYRUMM-HMILPKGGSA-N -1 1 631.751 7.255 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970308 553952448 /nfs/dbraw/zinc/95/24/48/553952448.db2.gz QRXDUXYNRKKYKY-NDEPHWFRSA-N -1 1 624.671 5.927 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970307 553952585 /nfs/dbraw/zinc/95/25/85/553952585.db2.gz QRXDUXYNRKKYKY-MUUNZHRXSA-N -1 1 624.671 5.927 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970346 553952926 /nfs/dbraw/zinc/95/29/26/553952926.db2.gz OSIXMIRGXPJXFD-MYUZEXMDSA-N -1 1 634.179 7.379 50 30 KKEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970348 553952933 /nfs/dbraw/zinc/95/29/33/553952933.db2.gz OSIXMIRGXPJXFD-CLYVBNDRSA-N -1 1 634.179 7.379 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970383 553953333 /nfs/dbraw/zinc/95/33/33/553953333.db2.gz BPQRJPOIVLJXGC-PMERELPUSA-N -1 1 630.719 6.827 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970382 553953392 /nfs/dbraw/zinc/95/33/92/553953392.db2.gz BPQRJPOIVLJXGC-SSEXGKCCSA-N -1 1 630.719 6.827 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000097970559 553956031 /nfs/dbraw/zinc/95/60/31/553956031.db2.gz IYRVJJSGINNTQC-KEEVHDRGSA-N -1 1 598.721 7.145 50 30 KKEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OCC ZINC000097970578 553956060 /nfs/dbraw/zinc/95/60/60/553956060.db2.gz QULRYCOPLJCSQP-ADSBAMQRSA-N -1 1 612.704 6.765 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970601 553956252 /nfs/dbraw/zinc/95/62/52/553956252.db2.gz LQEAFIDGTJGIRF-HZAQMHFWSA-N -1 1 614.720 6.989 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970601 553956255 /nfs/dbraw/zinc/95/62/55/553956255.db2.gz LQEAFIDGTJGIRF-HZAQMHFWSA-N -1 1 614.720 6.989 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000097970636 553956678 /nfs/dbraw/zinc/95/66/78/553956678.db2.gz WHAPRQVNYBETND-LJAQVGFWSA-N -1 1 624.715 6.863 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000097970635 553956683 /nfs/dbraw/zinc/95/66/83/553956683.db2.gz WHAPRQVNYBETND-GDLZYMKVSA-N -1 1 624.715 6.863 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970627 553956691 /nfs/dbraw/zinc/95/66/91/553956691.db2.gz DUOMMFJASQHQCP-JCOAXYOVSA-N -1 1 666.752 6.878 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970627 553956693 /nfs/dbraw/zinc/95/66/93/553956693.db2.gz DUOMMFJASQHQCP-JCOAXYOVSA-N -1 1 666.752 6.878 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000097970650 553957173 /nfs/dbraw/zinc/95/71/73/553957173.db2.gz QAXDMWSCTJDGAS-JOCHJYFZSA-N -1 1 583.847 6.266 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000097970657 553957205 /nfs/dbraw/zinc/95/72/05/553957205.db2.gz ZGJSBRDOXJCQBQ-MUUNZHRXSA-N -1 1 610.732 7.206 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000097970721 553957888 /nfs/dbraw/zinc/95/78/88/553957888.db2.gz IETXFNQHGFZMEB-UKPGIYTDSA-N -1 1 706.286 8.414 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970723 553957986 /nfs/dbraw/zinc/95/79/86/553957986.db2.gz JUJMHJHOPKWVAU-GEFUHLBYSA-N -1 1 628.747 7.379 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970723 553957989 /nfs/dbraw/zinc/95/79/89/553957989.db2.gz JUJMHJHOPKWVAU-GEFUHLBYSA-N -1 1 628.747 7.379 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)nc2c(C)c1 ZINC000097970753 553958268 /nfs/dbraw/zinc/95/82/68/553958268.db2.gz WFUINECHQVUGTF-SSEXGKCCSA-N -1 1 590.657 7.260 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000097971005 553960296 /nfs/dbraw/zinc/96/02/96/553960296.db2.gz CEBSPPRAJLXWHM-SANMLTNESA-N -1 1 647.547 7.061 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000097970981 553960329 /nfs/dbraw/zinc/96/03/29/553960329.db2.gz SWWMGYQBJVKDFO-SANMLTNESA-N -1 1 603.096 6.952 50 30 KKEAMM O=[N+]([O-])c1cccc(C=NN=c2nc(N(c3ccccc3)c3ccccc3)[nH]c(N3CCCCCC3)n2)c1[O-] ZINC000034098740 553980691 /nfs/dbraw/zinc/98/06/91/553980691.db2.gz PWPQGCPVOBOUJZ-ZTKZIYFRSA-N -1 1 524.585 5.782 50 30 KKEAMM CCCCCCCCOc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1 ZINC000097983782 554011667 /nfs/dbraw/zinc/01/16/67/554011667.db2.gz GXVVPCZEHDFSLO-UHFFFAOYSA-N -1 1 578.653 7.263 50 30 KKEAMM CCCCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(OCC)cc1)c1ccccc21 ZINC000097985246 554022209 /nfs/dbraw/zinc/02/22/09/554022209.db2.gz MFBCAYPMDGYBQP-UHFFFAOYSA-N -1 1 523.651 7.221 50 30 KKEAMM COc1ccc(-c2csc(-c3c([O-])cn(N=Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c3N)n2)cc1 ZINC000035686400 554063212 /nfs/dbraw/zinc/06/32/12/554063212.db2.gz UURFZURRNZHBFO-XAZZYMPDSA-N -1 1 518.683 5.665 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000098046443 554138958 /nfs/dbraw/zinc/13/89/58/554138958.db2.gz CHSCVLUOOCISRL-VWLOTQADSA-N -1 1 575.687 6.931 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000098046486 554139960 /nfs/dbraw/zinc/13/99/60/554139960.db2.gz BHSWADAYPFUYAB-RUZDIDTESA-N -1 1 610.132 7.585 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046490 554140004 /nfs/dbraw/zinc/14/00/04/554140004.db2.gz PYEFWAUTOVLGCH-XMMPIXPASA-N -1 1 612.104 6.813 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)o1 ZINC000098046538 554140203 /nfs/dbraw/zinc/14/02/03/554140203.db2.gz VIUOAMYZWNSOLV-QFIPXVFZSA-N -1 1 564.044 6.914 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098046662 554141986 /nfs/dbraw/zinc/14/19/86/554141986.db2.gz OMQBYGWVLXTHBT-NRFANRHFSA-N -1 1 551.577 5.108 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000098046638 554142027 /nfs/dbraw/zinc/14/20/27/554142027.db2.gz KSCFUIGABHQALK-FQEVSTJZSA-N -1 1 568.677 5.834 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000098046701 554142821 /nfs/dbraw/zinc/14/28/21/554142821.db2.gz PGPJTLJZIMDHHA-SSEXGKCCSA-N -1 1 589.673 7.309 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000098047051 554146093 /nfs/dbraw/zinc/14/60/93/554146093.db2.gz XOTCKXSCVGPBTK-NRFANRHFSA-N -1 1 541.025 5.772 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(O)cc2)cc1F ZINC000098047237 554147967 /nfs/dbraw/zinc/14/79/67/554147967.db2.gz GDXKHTHUIUZHTR-AREMUKBSSA-N -1 1 583.666 6.920 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccs2)cc1F ZINC000098047239 554148350 /nfs/dbraw/zinc/14/83/50/554148350.db2.gz IICSRHYYLFUVJF-XMMPIXPASA-N -1 1 573.696 7.276 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC000098047242 554148463 /nfs/dbraw/zinc/14/84/63/554148463.db2.gz UMQRQJREORCZEH-SANMLTNESA-N -1 1 612.664 7.122 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(O)cc2)cc1F ZINC000098047238 554148482 /nfs/dbraw/zinc/14/84/82/554148482.db2.gz GDXKHTHUIUZHTR-SANMLTNESA-N -1 1 583.666 6.920 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(O)c(OC)c2)cc1F ZINC000098047272 554148912 /nfs/dbraw/zinc/14/89/12/554148912.db2.gz QXUUWWKNXFRSSJ-MHZLTWQESA-N -1 1 629.691 6.628 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000098047305 554149152 /nfs/dbraw/zinc/14/91/52/554149152.db2.gz PYXXIYCIDUVMRH-HHHXNRCGSA-N -1 1 617.749 6.809 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000098047340 554149650 /nfs/dbraw/zinc/14/96/50/554149650.db2.gz SQQJPUYUWKIEGA-WJOKGBTCSA-N -1 1 667.784 8.724 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047349 554149654 /nfs/dbraw/zinc/14/96/54/554149654.db2.gz IWYXEXXMJVOLMG-MHZLTWQESA-N -1 1 635.739 6.949 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000098047357 554149673 /nfs/dbraw/zinc/14/96/73/554149673.db2.gz PTWBRFSRVYCJLL-HKBQPEDESA-N -1 1 684.239 9.238 50 30 KKEAMM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047362 554150072 /nfs/dbraw/zinc/15/00/72/554150072.db2.gz QCFZLRLYFWJPMR-MUUNZHRXSA-N -1 1 648.250 8.743 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000098047362 554150074 /nfs/dbraw/zinc/15/00/74/554150074.db2.gz QCFZLRLYFWJPMR-MUUNZHRXSA-N -1 1 648.250 8.743 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000098047388 554150109 /nfs/dbraw/zinc/15/01/09/554150109.db2.gz FYBVNYSRUDRWQU-JOCHJYFZSA-N -1 1 631.494 7.276 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000098047443 554150964 /nfs/dbraw/zinc/15/09/64/554150964.db2.gz SCVQCIRACJXZAH-QHCPKHFHSA-N -1 1 567.063 6.328 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047421 554150969 /nfs/dbraw/zinc/15/09/69/554150969.db2.gz HHLJAFVNDMXFRF-NDEPHWFRSA-N -1 1 633.767 7.720 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047466 554151459 /nfs/dbraw/zinc/15/14/59/554151459.db2.gz BSGQBJRBKLSKTH-JGCGQSQUSA-N -1 1 698.266 9.025 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047509 554151694 /nfs/dbraw/zinc/15/16/94/554151694.db2.gz XRZGQHXLAUBECL-AREMUKBSSA-N -1 1 650.178 7.232 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC ZINC000098047499 554151705 /nfs/dbraw/zinc/15/17/05/554151705.db2.gz XHJKVJKVUISHKB-MUUNZHRXSA-N -1 1 634.751 6.800 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047491 554151802 /nfs/dbraw/zinc/15/18/02/554151802.db2.gz QLOYZZBRQPVIPV-HSZRJFAPSA-N -1 1 578.643 5.377 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC ZINC000098047503 554151838 /nfs/dbraw/zinc/15/18/38/554151838.db2.gz GTPNYNQOBIBJLD-GDLZYMKVSA-N -1 1 661.777 7.505 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccccc2F)cc1 ZINC000098047613 554153599 /nfs/dbraw/zinc/15/35/99/554153599.db2.gz FOCQYMYLNIKFEL-RUZDIDTESA-N -1 1 593.677 7.070 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000098047624 554153670 /nfs/dbraw/zinc/15/36/70/554153670.db2.gz DUIUQBSRWUFXNQ-YTTGMZPUSA-N -1 1 705.874 8.899 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047657 554153897 /nfs/dbraw/zinc/15/38/97/554153897.db2.gz WVGLVAZVINLUGC-AREMUKBSSA-N -1 1 615.733 6.579 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047634 554153929 /nfs/dbraw/zinc/15/39/29/554153929.db2.gz XQDRIVMCZCZUGG-NDEPHWFRSA-N -1 1 636.767 7.168 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047647 554153965 /nfs/dbraw/zinc/15/39/65/554153965.db2.gz XJPWRNLEOMYDTM-RUZDIDTESA-N -1 1 620.684 6.840 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047723 554155017 /nfs/dbraw/zinc/15/50/17/554155017.db2.gz IQCIFSBJYXWLFJ-SSEXGKCCSA-N -1 1 655.773 8.093 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047735 554155264 /nfs/dbraw/zinc/15/52/64/554155264.db2.gz XLKVBCMLPBEELP-HHHXNRCGSA-N -1 1 613.692 6.923 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047786 554155802 /nfs/dbraw/zinc/15/58/02/554155802.db2.gz BAULOLQFZLULCL-LJAQVGFWSA-N -1 1 639.755 7.182 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1OC ZINC000098047807 554156161 /nfs/dbraw/zinc/15/61/61/554156161.db2.gz FMPLMMDLHAIDCC-MGBGTMOVSA-N -1 1 687.799 8.576 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(O)cc2)cc1OC ZINC000098047804 554156294 /nfs/dbraw/zinc/15/62/94/554156294.db2.gz LSGFQAXKPDRSOL-MHZLTWQESA-N -1 1 611.701 6.489 50 30 KKEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000098047793 554156444 /nfs/dbraw/zinc/15/64/44/554156444.db2.gz NIPXSFKTGHYOHZ-SSEXGKCCSA-N -1 1 637.783 7.907 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000098047793 554156445 /nfs/dbraw/zinc/15/64/45/554156445.db2.gz NIPXSFKTGHYOHZ-SSEXGKCCSA-N -1 1 637.783 7.907 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047840 554156578 /nfs/dbraw/zinc/15/65/78/554156578.db2.gz YAUOAKWJPBXHIK-HKBQPEDESA-N -1 1 653.801 8.783 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047829 554156657 /nfs/dbraw/zinc/15/66/57/554156657.db2.gz JSKJPLZOMCIPSO-JGCGQSQUSA-N -1 1 683.827 8.792 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccnc2)cc1OC ZINC000098047852 554157088 /nfs/dbraw/zinc/15/70/88/554157088.db2.gz XVXJSARXOYTFLH-SANMLTNESA-N -1 1 596.690 6.179 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047915 554157710 /nfs/dbraw/zinc/15/77/10/554157710.db2.gz FJPYVJJYGLDPQW-MUUNZHRXSA-N -1 1 627.719 7.231 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cc4c(c(C)c3)O[C@H](C)C4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000098048021 554158842 /nfs/dbraw/zinc/15/88/42/554158842.db2.gz PZIYUYFIQCJPPT-KCEHZKJRSA-N -1 1 632.738 7.607 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048046 554158857 /nfs/dbraw/zinc/15/88/57/554158857.db2.gz OZNGOBIQYISKGV-WRHNGFHOSA-N -1 1 572.658 7.111 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000098048046 554158859 /nfs/dbraw/zinc/15/88/59/554158859.db2.gz OZNGOBIQYISKGV-WRHNGFHOSA-N -1 1 572.658 7.111 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098048027 554158874 /nfs/dbraw/zinc/15/88/74/554158874.db2.gz ZOSBMVUQTYTLAQ-MRDQGFSESA-N -1 1 539.613 5.532 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098048027 554158875 /nfs/dbraw/zinc/15/88/75/554158875.db2.gz ZOSBMVUQTYTLAQ-MRDQGFSESA-N -1 1 539.613 5.532 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098048028 554158880 /nfs/dbraw/zinc/15/88/80/554158880.db2.gz ZOSBMVUQTYTLAQ-QLXKLKPCSA-N -1 1 539.613 5.532 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)s1 ZINC000098048028 554158881 /nfs/dbraw/zinc/15/88/81/554158881.db2.gz ZOSBMVUQTYTLAQ-QLXKLKPCSA-N -1 1 539.613 5.532 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cc4c(c(C)c3)O[C@H](C)C4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000098048020 554158925 /nfs/dbraw/zinc/15/89/25/554158925.db2.gz PZIYUYFIQCJPPT-APYJYERMSA-N -1 1 632.738 7.607 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cc4c(c(C)c3)O[C@@H](C)C4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000098048018 554158939 /nfs/dbraw/zinc/15/89/39/554158939.db2.gz PZIYUYFIQCJPPT-GHRAFVERSA-N -1 1 632.738 7.607 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000098048180 554160230 /nfs/dbraw/zinc/16/02/30/554160230.db2.gz WVSXOSJTLOYNNM-QLXKLKPCSA-N -1 1 563.676 5.776 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000098048180 554160234 /nfs/dbraw/zinc/16/02/34/554160234.db2.gz WVSXOSJTLOYNNM-QLXKLKPCSA-N -1 1 563.676 5.776 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098048935 554162384 /nfs/dbraw/zinc/16/23/84/554162384.db2.gz XQUIVIWJFLGRJN-LJAQVGFWSA-N -1 1 676.845 8.597 50 30 KKEAMM CCCC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)c(C#N)c2)c([O-])c1 ZINC000098050362 554173921 /nfs/dbraw/zinc/17/39/21/554173921.db2.gz CHOPPMMJIORSTQ-JGCGQSQUSA-N -1 1 633.233 9.513 50 30 KKEAMM Cc1cc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c([O-])c(Br)c1C ZINC000100042742 554192942 /nfs/dbraw/zinc/19/29/42/554192942.db2.gz LYSFQQHDMQIFJV-OPEKNORGSA-N -1 1 547.190 6.935 50 30 KKEAMM CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1N ZINC000100310092 554299684 /nfs/dbraw/zinc/29/96/84/554299684.db2.gz IXRSLBOIAWFLOH-UHFFFAOYSA-N -1 1 604.810 7.503 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053253937 554330461 /nfs/dbraw/zinc/33/04/61/554330461.db2.gz YZYKCKKKJRAPFR-QFIPXVFZSA-N -1 1 548.573 5.175 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053290444 554331195 /nfs/dbraw/zinc/33/11/95/554331195.db2.gz FNCDJMKOOIINBD-DEOSSOPVSA-N -1 1 528.586 5.573 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053290444 554331201 /nfs/dbraw/zinc/33/12/01/554331201.db2.gz FNCDJMKOOIINBD-DEOSSOPVSA-N -1 1 528.586 5.573 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053290480 554331329 /nfs/dbraw/zinc/33/13/29/554331329.db2.gz FDVZPINBCPTXSE-OAQYLSRUSA-N -1 1 521.392 5.850 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000053290932 554331580 /nfs/dbraw/zinc/33/15/80/554331580.db2.gz ACDYQKKXHCXQBS-OAQYLSRUSA-N -1 1 522.604 5.557 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053291963 554331858 /nfs/dbraw/zinc/33/18/58/554331858.db2.gz LVMFYRTUNRASPR-NRFANRHFSA-N -1 1 539.382 5.989 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000053291944 554331919 /nfs/dbraw/zinc/33/19/19/554331919.db2.gz UXHQWFYGRDMQAL-JOCHJYFZSA-N -1 1 519.966 6.258 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053291960 554331961 /nfs/dbraw/zinc/33/19/61/554331961.db2.gz LVMFYRTUNRASPR-OAQYLSRUSA-N -1 1 539.382 5.989 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000053292147 554332258 /nfs/dbraw/zinc/33/22/58/554332258.db2.gz YFNVHVSNWPDBPD-QMTYFTJSSA-N -1 1 542.613 5.810 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053291977 554332269 /nfs/dbraw/zinc/33/22/69/554332269.db2.gz UVMHLDQBIWAHMV-QFIPXVFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053291977 554332267 /nfs/dbraw/zinc/33/22/67/554332267.db2.gz UVMHLDQBIWAHMV-QFIPXVFZSA-N -1 1 535.419 6.159 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000053305881 554332789 /nfs/dbraw/zinc/33/27/89/554332789.db2.gz PSTBBKLTXWZSBA-QFIPXVFZSA-N -1 1 541.412 6.403 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053305841 554332886 /nfs/dbraw/zinc/33/28/86/554332886.db2.gz IPPYSMWNSXICDU-QFIPXVFZSA-N -1 1 535.965 6.040 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000053306030 554333058 /nfs/dbraw/zinc/33/30/58/554333058.db2.gz QIMMJAOIZXJRKR-VWLOTQADSA-N -1 1 574.611 5.185 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000053306269 554333577 /nfs/dbraw/zinc/33/35/77/554333577.db2.gz HEQOALRPSGNUFR-HSZRJFAPSA-N -1 1 531.546 5.395 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000053306245 554333621 /nfs/dbraw/zinc/33/36/21/554333621.db2.gz BGYKPFGTLJZUAJ-QHCPKHFHSA-N -1 1 531.546 5.395 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053306820 554334457 /nfs/dbraw/zinc/33/44/57/554334457.db2.gz JRMICMNWKBFTPR-HSZRJFAPSA-N -1 1 536.993 5.758 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000053306757 554334480 /nfs/dbraw/zinc/33/44/80/554334480.db2.gz UPODBMJPAIOXNH-JCQPUDPBSA-N -1 1 547.976 5.964 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053306947 554334680 /nfs/dbraw/zinc/33/46/80/554334680.db2.gz PWUPZNCWCKFNEC-QHCPKHFHSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053306947 554334682 /nfs/dbraw/zinc/33/46/82/554334682.db2.gz PWUPZNCWCKFNEC-QHCPKHFHSA-N -1 1 549.446 6.549 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000053307957 554335565 /nfs/dbraw/zinc/33/55/65/554335565.db2.gz VKUYIOYCAAFVHJ-HSZRJFAPSA-N -1 1 551.020 6.149 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000053307813 554335570 /nfs/dbraw/zinc/33/55/70/554335570.db2.gz KFAIGFFZNBGVAY-VWLOTQADSA-N -1 1 530.621 6.915 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C ZINC000053319171 554336399 /nfs/dbraw/zinc/33/63/99/554336399.db2.gz LBUJHUFWOPVDSR-OAQYLSRUSA-N -1 1 583.460 5.657 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053319317 554337273 /nfs/dbraw/zinc/33/72/73/554337273.db2.gz SZOMMJMIHKBFGV-JOCHJYFZSA-N -1 1 553.865 7.112 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053319388 554337658 /nfs/dbraw/zinc/33/76/58/554337658.db2.gz XNVMXNVMLSHKIR-NRFANRHFSA-N -1 1 523.383 6.289 50 30 KKEAMM Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053319388 554337655 /nfs/dbraw/zinc/33/76/55/554337655.db2.gz XNVMXNVMLSHKIR-NRFANRHFSA-N -1 1 523.383 6.289 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)ccc1O ZINC000053319433 554337876 /nfs/dbraw/zinc/33/78/76/554337876.db2.gz VYQOMMAJMRTHAE-RUZDIDTESA-N -1 1 543.601 5.231 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000053319487 554338242 /nfs/dbraw/zinc/33/82/42/554338242.db2.gz UQLBIMUIWPGYPC-VWLOTQADSA-N -1 1 527.602 5.525 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000053319459 554338258 /nfs/dbraw/zinc/33/82/58/554338258.db2.gz FXYQDBRJQREDIP-JCQPUDPBSA-N -1 1 547.976 5.964 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000053319493 554338331 /nfs/dbraw/zinc/33/83/31/554338331.db2.gz NEPSPYLXSDQMNY-SXBQZSJRSA-N -1 1 546.576 5.559 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000053319493 554338328 /nfs/dbraw/zinc/33/83/28/554338328.db2.gz NEPSPYLXSDQMNY-SXBQZSJRSA-N -1 1 546.576 5.559 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 ZINC000053332937 554339284 /nfs/dbraw/zinc/33/92/84/554339284.db2.gz WECPHTCPZGNQCZ-QFIPXVFZSA-N -1 1 522.941 5.643 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000053335407 554340925 /nfs/dbraw/zinc/34/09/25/554340925.db2.gz SGPLLRQOKWLXMN-CRYYWNKWSA-N -1 1 554.624 5.976 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC000053335400 554341062 /nfs/dbraw/zinc/34/10/62/554341062.db2.gz AZYXLUOLMQKORJ-CRICUBBOSA-N -1 1 590.126 6.899 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053335814 554341380 /nfs/dbraw/zinc/34/13/80/554341380.db2.gz XMKXQFOJCBBJPM-XMMPIXPASA-N -1 1 559.556 5.157 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000053336221 554341443 /nfs/dbraw/zinc/34/14/43/554341443.db2.gz ZUBVYRSUNRFMCB-DEOSSOPVSA-N -1 1 543.557 5.375 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000053336221 554341447 /nfs/dbraw/zinc/34/14/47/554341447.db2.gz ZUBVYRSUNRFMCB-DEOSSOPVSA-N -1 1 543.557 5.375 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000053336756 554341734 /nfs/dbraw/zinc/34/17/34/554341734.db2.gz HLWCUSDINRGWJD-GYCJOSAFSA-N -1 1 546.645 5.858 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000053337400 554342167 /nfs/dbraw/zinc/34/21/67/554342167.db2.gz DDSJNLIMSLPMBL-GDLZYMKVSA-N -1 1 584.694 7.036 50 30 KKEAMM Cc1cccc(COc2ccc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000053338201 554342736 /nfs/dbraw/zinc/34/27/36/554342736.db2.gz QNSTYPFZIKYSGC-DEOSSOPVSA-N -1 1 527.558 5.722 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053338905 554343157 /nfs/dbraw/zinc/34/31/57/554343157.db2.gz VKWFMAPDLQTJQC-VWLOTQADSA-N -1 1 556.596 5.254 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000053339857 554343870 /nfs/dbraw/zinc/34/38/70/554343870.db2.gz DZQMKVZQHDQYQY-PUAOIOHZSA-N -1 1 589.670 6.084 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(Br)cc3s2)cc1OC ZINC000053354214 554344709 /nfs/dbraw/zinc/34/47/09/554344709.db2.gz SIVPSNBVMLSVPP-QFIPXVFZSA-N -1 1 551.418 5.859 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(Br)cc3s2)cc1OC ZINC000053354214 554344705 /nfs/dbraw/zinc/34/47/05/554344705.db2.gz SIVPSNBVMLSVPP-QFIPXVFZSA-N -1 1 551.418 5.859 50 30 KKEAMM CCCCCCCCCCCCCCCc1ccc(O[C@H](CC)C(=O)NCCCNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000100663484 554439450 /nfs/dbraw/zinc/43/94/50/554439450.db2.gz VQNWYLUDSNPONB-PSXMRANNSA-N -1 1 616.887 9.273 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000100675289 554443319 /nfs/dbraw/zinc/44/33/19/554443319.db2.gz PYGAFUIUNISNHN-HHHXNRCGSA-N -1 1 604.769 7.524 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100675452 554443623 /nfs/dbraw/zinc/44/36/23/554443623.db2.gz GFZWVJCYVXVZES-XMMPIXPASA-N -1 1 562.644 5.765 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000100678335 554444921 /nfs/dbraw/zinc/44/49/21/554444921.db2.gz HWYCZCRKQABHDR-AREMUKBSSA-N -1 1 608.713 6.243 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100679417 554445287 /nfs/dbraw/zinc/44/52/87/554445287.db2.gz ABPVTEHGLUEXTL-JOCHJYFZSA-N -1 1 555.052 6.243 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCC)c(OCC)c2)cc1 ZINC000100679975 554446182 /nfs/dbraw/zinc/44/61/82/554446182.db2.gz DHNKAEZRYGWPMW-MHZLTWQESA-N -1 1 622.740 6.778 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000100680325 554446296 /nfs/dbraw/zinc/44/62/96/554446296.db2.gz TZECJJGUMJKJPK-RUZDIDTESA-N -1 1 576.671 6.155 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000100680321 554446303 /nfs/dbraw/zinc/44/63/03/554446303.db2.gz VKUNHJRFUUZICL-QHCPKHFHSA-N -1 1 550.608 5.895 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000100680281 554446531 /nfs/dbraw/zinc/44/65/31/554446531.db2.gz JFXWOLRYZGRNCK-QFIPXVFZSA-N -1 1 599.503 6.353 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000100680978 554446747 /nfs/dbraw/zinc/44/67/47/554446747.db2.gz CPFBUAZHAKTDQY-HSZRJFAPSA-N -1 1 550.633 5.599 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000100681040 554447154 /nfs/dbraw/zinc/44/71/54/554447154.db2.gz UHKWSULGAOLKKC-QHCPKHFHSA-N -1 1 611.514 6.519 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000100681036 554447221 /nfs/dbraw/zinc/44/72/21/554447221.db2.gz UHKWSULGAOLKKC-HSZRJFAPSA-N -1 1 611.514 6.519 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCCC)cc3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000100681032 554447259 /nfs/dbraw/zinc/44/72/59/554447259.db2.gz HSBPHUYXEVTIDZ-QHCPKHFHSA-N -1 1 611.514 6.519 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000100681137 554447628 /nfs/dbraw/zinc/44/76/28/554447628.db2.gz CIZFQEYZUKVSNA-NRFANRHFSA-N -1 1 585.476 5.962 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100736825 554461361 /nfs/dbraw/zinc/46/13/61/554461361.db2.gz MKHAWVDDJLUVMG-RUZDIDTESA-N -1 1 576.671 6.073 50 30 KKEAMM CCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000100866298 554497132 /nfs/dbraw/zinc/49/71/32/554497132.db2.gz KKHWFDPCXBCKEQ-WJOKGBTCSA-N -1 1 606.700 7.374 50 30 KKEAMM CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101029400 554564618 /nfs/dbraw/zinc/56/46/18/554564618.db2.gz CEDHVXMBSQRJTQ-OCBJUFRSSA-N -1 1 512.650 6.785 50 30 KKEAMM CN(C)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069832 554574289 /nfs/dbraw/zinc/57/42/89/554574289.db2.gz NGSANCGIXHQCSV-MOBKVPTQSA-N -1 1 511.803 5.795 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000101069843 554574314 /nfs/dbraw/zinc/57/43/14/554574314.db2.gz IDSJQPIFTYDBNX-NHFXJNLRSA-N -1 1 527.346 5.963 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000101072618 554576305 /nfs/dbraw/zinc/57/63/05/554576305.db2.gz CYDMLNFRBCLYPJ-YDJIHCHBSA-N -1 1 592.081 6.600 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072829 554576566 /nfs/dbraw/zinc/57/65/66/554576566.db2.gz ARURALXKMGMNSH-ZHHPLPSFSA-N -1 1 563.429 5.765 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072829 554576567 /nfs/dbraw/zinc/57/65/67/554576567.db2.gz ARURALXKMGMNSH-ZHHPLPSFSA-N -1 1 563.429 5.765 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101100195 554586839 /nfs/dbraw/zinc/58/68/39/554586839.db2.gz BWYIXYJQEJJSKB-HFEWCJDKSA-N -1 1 553.865 6.955 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000101101514 554638838 /nfs/dbraw/zinc/63/88/38/554638838.db2.gz OYMKBCJPRIGTDE-ZHHPLPSFSA-N -1 1 563.429 5.765 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000101101514 554638840 /nfs/dbraw/zinc/63/88/40/554638840.db2.gz OYMKBCJPRIGTDE-ZHHPLPSFSA-N -1 1 563.429 5.765 50 30 KKEAMM CCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2ccc([N-]S(C)(=O)=O)c(O)c2)C1=O ZINC000101209929 554678496 /nfs/dbraw/zinc/67/84/96/554678496.db2.gz OONNEMVXTHLOPR-XMMPIXPASA-N -1 1 536.779 7.295 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276817 554703246 /nfs/dbraw/zinc/70/32/46/554703246.db2.gz MMAKXGFXONHFFK-DNNDWWBDSA-N -1 1 622.699 6.323 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276817 554703250 /nfs/dbraw/zinc/70/32/50/554703250.db2.gz MMAKXGFXONHFFK-DNNDWWBDSA-N -1 1 622.699 6.323 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276796 554703341 /nfs/dbraw/zinc/70/33/41/554703341.db2.gz BGIIRRBXPGSAHO-FZIYRNTBSA-N -1 1 616.692 5.708 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276796 554703343 /nfs/dbraw/zinc/70/33/43/554703343.db2.gz BGIIRRBXPGSAHO-FZIYRNTBSA-N -1 1 616.692 5.708 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277740 554704145 /nfs/dbraw/zinc/70/41/45/554704145.db2.gz UAGWFEVOYNZJES-NXLSWJSLSA-N -1 1 560.628 5.315 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000101277740 554704147 /nfs/dbraw/zinc/70/41/47/554704147.db2.gz UAGWFEVOYNZJES-NXLSWJSLSA-N -1 1 560.628 5.315 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000101277776 554704178 /nfs/dbraw/zinc/70/41/78/554704178.db2.gz CPNBFJRSCRWHMF-MOBKVPTQSA-N -1 1 518.591 5.046 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000101277933 554704298 /nfs/dbraw/zinc/70/42/98/554704298.db2.gz LKRNPROCICLMLG-ONQGDUAMSA-N -1 1 598.652 6.447 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(OCC)c2)nc1C ZINC000101278333 554704898 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C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310236 554717218 /nfs/dbraw/zinc/71/72/18/554717218.db2.gz DCHFWOOTLYCADW-RFAFYKRUSA-N -1 1 574.655 5.567 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000101310270 554717238 /nfs/dbraw/zinc/71/72/38/554717238.db2.gz UAKRJNWZHAOXPN-LQRKZSIOSA-N -1 1 603.096 6.863 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000101310270 554717240 /nfs/dbraw/zinc/71/72/40/554717240.db2.gz UAKRJNWZHAOXPN-LQRKZSIOSA-N -1 1 603.096 6.863 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000101310263 554717365 /nfs/dbraw/zinc/71/73/65/554717365.db2.gz UAKRJNWZHAOXPN-JOMJOIQHSA-N -1 1 603.096 6.863 50 30 KKEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000101310263 554717369 /nfs/dbraw/zinc/71/73/69/554717369.db2.gz UAKRJNWZHAOXPN-JOMJOIQHSA-N -1 1 603.096 6.863 50 30 KKEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000101313714 554722177 /nfs/dbraw/zinc/72/21/77/554722177.db2.gz ZVSOOXGVXUUVFR-JVJOXMINSA-N -1 1 538.625 6.119 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101313754 554722201 /nfs/dbraw/zinc/72/22/01/554722201.db2.gz DKLQAMORAQPBON-LLAWDOGUSA-N -1 1 554.624 5.819 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000101313899 554722486 /nfs/dbraw/zinc/72/24/86/554722486.db2.gz DWWUSAYEPIEKOY-RXDXAXPSSA-N -1 1 554.624 5.875 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000101316538 554723548 /nfs/dbraw/zinc/72/35/48/554723548.db2.gz UWQIMHXEIRGFHI-CJJGVWJISA-N -1 1 542.613 5.813 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000101316805 554723823 /nfs/dbraw/zinc/72/38/23/554723823.db2.gz MAIZFVSGDGCONO-YREDKMEYSA-N -1 1 611.745 6.653 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000101347435 554737556 /nfs/dbraw/zinc/73/75/56/554737556.db2.gz LVLWDQYQRYTGAH-ODCWNRFASA-N -1 1 557.584 5.710 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000101353995 554739014 /nfs/dbraw/zinc/73/90/14/554739014.db2.gz OGHXRBKLOUSPDW-BZQUYTCOSA-N -1 1 557.584 5.710 50 30 KKEAMM CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102078894 554875536 /nfs/dbraw/zinc/87/55/36/554875536.db2.gz IQDFFUDBVHJKCP-VTVSLZSGSA-N -1 1 627.788 7.205 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102078909 554875817 /nfs/dbraw/zinc/87/58/17/554875817.db2.gz UYIOENBYOWBUCM-TXTDGAROSA-N -1 1 629.760 6.653 50 30 KKEAMM CCCCCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc21 ZINC000102210539 554896568 /nfs/dbraw/zinc/89/65/68/554896568.db2.gz OVAZGLYNRGSMGT-UHFFFAOYSA-N -1 1 549.733 8.510 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102482417 554937485 /nfs/dbraw/zinc/93/74/85/554937485.db2.gz GHNJWVNOUPYKCC-NHFXJNLRSA-N -1 1 526.567 5.149 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000102483280 554937618 /nfs/dbraw/zinc/93/76/18/554937618.db2.gz NQPQSYRUCWQEEP-YDJIHCHBSA-N -1 1 502.832 5.893 50 30 KKEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000102487379 554938442 /nfs/dbraw/zinc/93/84/42/554938442.db2.gz KKPWPNRCCUCTKS-NPJIAGGLSA-N -1 1 500.938 5.842 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)nc1C ZINC000102491246 554939440 /nfs/dbraw/zinc/93/94/40/554939440.db2.gz LZMDRPOVRVWVMT-SELCWUDQSA-N -1 1 500.935 5.047 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102491592 554939457 /nfs/dbraw/zinc/93/94/57/554939457.db2.gz OEZVIKDNAAWGOC-HOGKFDNTSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102491592 554939459 /nfs/dbraw/zinc/93/94/59/554939459.db2.gz OEZVIKDNAAWGOC-HOGKFDNTSA-N -1 1 501.520 5.148 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102492803 554939695 /nfs/dbraw/zinc/93/96/95/554939695.db2.gz BKSLHSVAYYHRQY-WOOAAIBNSA-N -1 1 511.353 5.287 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102493861 554940018 /nfs/dbraw/zinc/94/00/18/554940018.db2.gz IYRGMKOPHHUHKH-HOGKFDNTSA-N -1 1 530.558 5.640 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102496206 554940620 /nfs/dbraw/zinc/94/06/20/554940620.db2.gz SBBVCXPLSXAVRR-IAMBOQNYSA-N -1 1 536.631 5.627 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102496660 554940826 /nfs/dbraw/zinc/94/08/26/554940826.db2.gz WEIULRDNBMSTQT-AYWGPLOBSA-N -1 1 521.013 7.013 50 30 KKEAMM CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102496660 554940827 /nfs/dbraw/zinc/94/08/27/554940827.db2.gz WEIULRDNBMSTQT-AYWGPLOBSA-N -1 1 521.013 7.013 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102497404 554941357 /nfs/dbraw/zinc/94/13/57/554941357.db2.gz FXTVAIITJVUOSZ-IUKMQXEJSA-N -1 1 560.628 5.656 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000102504097 554943949 /nfs/dbraw/zinc/94/39/49/554943949.db2.gz HPIFJGRKZWVRHI-GROYHEBESA-N -1 1 547.814 5.280 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102506338 554944537 /nfs/dbraw/zinc/94/45/37/554944537.db2.gz QYHLOJQWZMACMS-MOBKVPTQSA-N -1 1 506.605 5.782 50 30 KKEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102505736 554944616 /nfs/dbraw/zinc/94/46/16/554944616.db2.gz GQMPXPGLADPHRC-AYWGPLOBSA-N -1 1 520.994 5.902 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102505736 554944617 /nfs/dbraw/zinc/94/46/17/554944617.db2.gz GQMPXPGLADPHRC-AYWGPLOBSA-N -1 1 520.994 5.902 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102505360 554944623 /nfs/dbraw/zinc/94/46/23/554944623.db2.gz GRCGAXCYCMRQSA-ZHHPLPSFSA-N -1 1 516.575 5.257 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102508683 554945778 /nfs/dbraw/zinc/94/57/78/554945778.db2.gz LJVZTBNQUKWDMJ-SBXHHDGASA-N -1 1 516.575 5.257 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102510447 554945972 /nfs/dbraw/zinc/94/59/72/554945972.db2.gz RXDZYEUNFQQHQW-AYWGPLOBSA-N -1 1 534.565 5.478 50 30 KKEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102511221 554946308 /nfs/dbraw/zinc/94/63/08/554946308.db2.gz ZTUVTZMLQOYKAF-AYWGPLOBSA-N -1 1 549.446 6.392 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102511221 554946310 /nfs/dbraw/zinc/94/63/10/554946310.db2.gz ZTUVTZMLQOYKAF-AYWGPLOBSA-N -1 1 549.446 6.392 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102514138 554947186 /nfs/dbraw/zinc/94/71/86/554947186.db2.gz XITMPCCVTWKNOU-IUKMQXEJSA-N -1 1 560.628 5.656 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102520396 554949340 /nfs/dbraw/zinc/94/93/40/554949340.db2.gz GRMNGARPKSKEOI-ZHHPLPSFSA-N -1 1 549.004 5.761 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102524825 554951564 /nfs/dbraw/zinc/95/15/64/554951564.db2.gz MOPRJWJMDVMZTA-ZHHPLPSFSA-N -1 1 565.445 6.092 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102524819 554951655 /nfs/dbraw/zinc/95/16/55/554951655.db2.gz MOPRJWJMDVMZTA-AYWGPLOBSA-N -1 1 565.445 6.092 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102527384 554952551 /nfs/dbraw/zinc/95/25/51/554952551.db2.gz MZPLAZHIBFBRPL-SBXHHDGASA-N -1 1 518.566 5.859 50 30 KKEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102527129 554952555 /nfs/dbraw/zinc/95/25/55/554952555.db2.gz YSVGMYYKAPYGGU-UVDRRRQGSA-N -1 1 535.021 6.210 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102529160 554953065 /nfs/dbraw/zinc/95/30/65/554953065.db2.gz KEKQIGSBYJVRSF-NXLSWJSLSA-N -1 1 518.591 6.012 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102529150 554953143 /nfs/dbraw/zinc/95/31/43/554953143.db2.gz KEKQIGSBYJVRSF-SBXHHDGASA-N -1 1 518.591 6.012 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000102530152 554953657 /nfs/dbraw/zinc/95/36/57/554953657.db2.gz RKSPUQDQZVIIQS-MOBKVPTQSA-N -1 1 520.607 5.134 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102532892 554954723 /nfs/dbraw/zinc/95/47/23/554954723.db2.gz USKBAAOPQFIFLB-UVDRRRQGSA-N -1 1 502.567 6.077 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102533150 554954836 /nfs/dbraw/zinc/95/48/36/554954836.db2.gz NNWPCUQWMMHAPY-NXLSWJSLSA-N -1 1 581.046 6.001 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102537296 554956309 /nfs/dbraw/zinc/95/63/09/554956309.db2.gz NEZJZKSWDLJSFR-AYWGPLOBSA-N -1 1 520.994 5.983 50 30 KKEAMM COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102541033 554957399 /nfs/dbraw/zinc/95/73/99/554957399.db2.gz OECHVEALSNCVSJ-ZHHPLPSFSA-N -1 1 550.564 5.096 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102541033 554957401 /nfs/dbraw/zinc/95/74/01/554957401.db2.gz OECHVEALSNCVSJ-ZHHPLPSFSA-N -1 1 550.564 5.096 50 30 KKEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000102545821 554959023 /nfs/dbraw/zinc/95/90/23/554959023.db2.gz XDVKSIDDZUKSEI-WNQPQFFOSA-N -1 1 620.152 6.832 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102547274 554959688 /nfs/dbraw/zinc/95/96/88/554959688.db2.gz ZVUXVOHNCRCTPF-JVJOXMINSA-N -1 1 596.661 5.767 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102547274 554959691 /nfs/dbraw/zinc/95/96/91/554959691.db2.gz ZVUXVOHNCRCTPF-JVJOXMINSA-N -1 1 596.661 5.767 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OCC ZINC000102548395 554960283 /nfs/dbraw/zinc/96/02/83/554960283.db2.gz VQNKEPRGKMLWSR-BYHJQNISSA-N -1 1 612.748 7.440 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000102548425 554960290 /nfs/dbraw/zinc/96/02/90/554960290.db2.gz BTXSXCSASFVQMM-HAQIDCBSSA-N -1 1 528.586 5.350 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102549004 554960802 /nfs/dbraw/zinc/96/08/02/554960802.db2.gz IHLGVABHKNTKTQ-WRPQUVRJSA-N -1 1 577.634 6.058 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3)sc2c1 ZINC000102549120 554960837 /nfs/dbraw/zinc/96/08/37/554960837.db2.gz DJONHHTVOUCUNB-NXLSWJSLSA-N -1 1 514.559 5.093 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3)sc2c1 ZINC000102549120 554960841 /nfs/dbraw/zinc/96/08/41/554960841.db2.gz DJONHHTVOUCUNB-NXLSWJSLSA-N -1 1 514.559 5.093 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102549586 554961055 /nfs/dbraw/zinc/96/10/55/554961055.db2.gz CCORQXNYEIIRKI-ZHHPLPSFSA-N -1 1 553.423 6.309 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102549464 554961071 /nfs/dbraw/zinc/96/10/71/554961071.db2.gz DIWBEPQVJVMZCY-IUKMQXEJSA-N -1 1 540.597 5.443 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102549918 554961311 /nfs/dbraw/zinc/96/13/11/554961311.db2.gz DTHIODGYPLTDIV-GRBPGWBESA-N -1 1 600.693 6.442 50 30 KKEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102549858 554961329 /nfs/dbraw/zinc/96/13/29/554961329.db2.gz MYUVHRGEGQOLGL-CKXNDDTFSA-N -1 1 572.639 5.662 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102549858 554961330 /nfs/dbraw/zinc/96/13/30/554961330.db2.gz MYUVHRGEGQOLGL-CKXNDDTFSA-N -1 1 572.639 5.662 50 30 KKEAMM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102551295 554961941 /nfs/dbraw/zinc/96/19/41/554961941.db2.gz SWPJJPNAAMDUMO-UVDRRRQGSA-N -1 1 533.005 5.964 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102551295 554961945 /nfs/dbraw/zinc/96/19/45/554961945.db2.gz SWPJJPNAAMDUMO-UVDRRRQGSA-N -1 1 533.005 5.964 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102554115 554963836 /nfs/dbraw/zinc/96/38/36/554963836.db2.gz BOOHOOQDZFWIQN-FPRSLYQBSA-N -1 1 589.113 7.468 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102554115 554963837 /nfs/dbraw/zinc/96/38/37/554963837.db2.gz BOOHOOQDZFWIQN-FPRSLYQBSA-N -1 1 589.113 7.468 50 30 KKEAMM Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102555440 554963977 /nfs/dbraw/zinc/96/39/77/554963977.db2.gz DWCMJODTUSFBCY-VGZNNGDKSA-N -1 1 574.658 7.347 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102556908 554964870 /nfs/dbraw/zinc/96/48/70/554964870.db2.gz GBQQPLJVFAPVAL-IUKMQXEJSA-N -1 1 514.603 5.892 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102559694 554967157 /nfs/dbraw/zinc/96/71/57/554967157.db2.gz PUMJZQMHRNTNPD-IUKMQXEJSA-N -1 1 528.586 5.401 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102561017 554967883 /nfs/dbraw/zinc/96/78/83/554967883.db2.gz HYDFWZPIXGYWGM-RXDXAXPSSA-N -1 1 556.640 6.099 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102561664 554968229 /nfs/dbraw/zinc/96/82/29/554968229.db2.gz LOTMYGWIBBGJJT-JVJOXMINSA-N -1 1 620.724 6.156 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102561664 554968231 /nfs/dbraw/zinc/96/82/31/554968231.db2.gz LOTMYGWIBBGJJT-JVJOXMINSA-N -1 1 620.724 6.156 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102561375 554968306 /nfs/dbraw/zinc/96/83/06/554968306.db2.gz OETAVJMTLHDUOL-ZHHPLPSFSA-N -1 1 562.987 5.134 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102562195 554968671 /nfs/dbraw/zinc/96/86/71/554968671.db2.gz HEBCWFCQRZLVNH-WYNCGZBVSA-N -1 1 554.668 6.733 50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102562107 554968675 /nfs/dbraw/zinc/96/86/75/554968675.db2.gz JDKJQRWSMZONRS-IZSGBISHSA-N -1 1 633.166 7.723 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102562107 554968676 /nfs/dbraw/zinc/96/86/76/554968676.db2.gz JDKJQRWSMZONRS-IZSGBISHSA-N -1 1 633.166 7.723 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102563400 554968744 /nfs/dbraw/zinc/96/87/44/554968744.db2.gz SWUDXHAVYUNRGR-MOBKVPTQSA-N -1 1 553.865 6.901 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102563420 554968771 /nfs/dbraw/zinc/96/87/71/554968771.db2.gz BLYHBIIIFSMMKQ-GMBUILNLSA-N -1 1 577.456 6.017 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1C ZINC000102563035 554968863 /nfs/dbraw/zinc/96/88/63/554968863.db2.gz BYXTUXUEWKTTQK-AYWGPLOBSA-N -1 1 534.634 5.660 50 30 KKEAMM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102563440 554969145 /nfs/dbraw/zinc/96/91/45/554969145.db2.gz ASSWTIKYSWKHEJ-FPRSLYQBSA-N -1 1 583.666 5.774 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102563440 554969146 /nfs/dbraw/zinc/96/91/46/554969146.db2.gz ASSWTIKYSWKHEJ-FPRSLYQBSA-N -1 1 583.666 5.774 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000102563939 554969149 /nfs/dbraw/zinc/96/91/49/554969149.db2.gz RSCQKEAXOBTMHN-FECHNCLXSA-N -1 1 504.514 5.524 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102575845 554971522 /nfs/dbraw/zinc/97/15/22/554971522.db2.gz RKHMZLNNNWTEFP-WRPQUVRJSA-N -1 1 594.089 6.573 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102578598 554971800 /nfs/dbraw/zinc/97/18/00/554971800.db2.gz LJAHZAUTEZQPBL-YYXRCVDTSA-N -1 1 558.612 5.359 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102578598 554971803 /nfs/dbraw/zinc/97/18/03/554971803.db2.gz LJAHZAUTEZQPBL-YYXRCVDTSA-N -1 1 558.612 5.359 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102581509 554972535 /nfs/dbraw/zinc/97/25/35/554972535.db2.gz KZFVDRUJXYUOAJ-KYWXLPDZSA-N -1 1 531.521 5.293 50 30 KKEAMM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102581823 554972828 /nfs/dbraw/zinc/97/28/28/554972828.db2.gz KAPDSUHUCHCXDB-WNQPQFFOSA-N -1 1 539.613 5.375 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)cc2)s1 ZINC000102581823 554972831 /nfs/dbraw/zinc/97/28/31/554972831.db2.gz KAPDSUHUCHCXDB-WNQPQFFOSA-N -1 1 539.613 5.375 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102586678 554973243 /nfs/dbraw/zinc/97/32/43/554973243.db2.gz ATMHPCNGIXYPLZ-UUALVTFQSA-N -1 1 585.638 5.222 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102586929 554973500 /nfs/dbraw/zinc/97/35/00/554973500.db2.gz UWEMSYGHMCMYAO-NXLSWJSLSA-N -1 1 548.617 5.231 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000102606116 554978826 /nfs/dbraw/zinc/97/88/26/554978826.db2.gz VQCABXWELQQNRA-LMKMVOKYSA-N -1 1 549.649 5.386 50 30 KKEAMM CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102611954 554981763 /nfs/dbraw/zinc/98/17/63/554981763.db2.gz WZZCXJPVAZUMLG-IUKMQXEJSA-N -1 1 605.669 5.766 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000102618794 554985480 /nfs/dbraw/zinc/98/54/80/554985480.db2.gz OPFKIJOFEDPWME-MOBKVPTQSA-N -1 1 517.887 6.002 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102619625 554986022 /nfs/dbraw/zinc/98/60/22/554986022.db2.gz JLVZFHXBCIKDAN-NXLSWJSLSA-N -1 1 601.662 5.015 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102619778 554986264 /nfs/dbraw/zinc/98/62/64/554986264.db2.gz PYOSDEBBSLPIEU-ONQGDUAMSA-N -1 1 615.733 6.407 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCCC)cc3C)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102622254 554987437 /nfs/dbraw/zinc/98/74/37/554987437.db2.gz LOZVACGLHSPDTE-QHCPKHFHSA-N -1 1 567.063 6.328 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102651923 554996230 /nfs/dbraw/zinc/99/62/30/554996230.db2.gz HDYTVSCYVDCQLG-KVBNAJLESA-N -1 1 598.721 7.050 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102652351 554996497 /nfs/dbraw/zinc/99/64/97/554996497.db2.gz IHLGVABHKNTKTQ-HALAOQOWSA-N -1 1 577.634 6.058 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OCc4ccccc4)cc3)nc2c(C)c1 ZINC000102653158 554997091 /nfs/dbraw/zinc/99/70/91/554997091.db2.gz VRAWDZRFMYEJGL-APJFQNNPSA-N -1 1 602.712 7.442 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102654385 554997643 /nfs/dbraw/zinc/99/76/43/554997643.db2.gz WBYWHIBBVMKTGF-NSUOQXISSA-N -1 1 571.869 7.206 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102654717 554997749 /nfs/dbraw/zinc/99/77/49/554997749.db2.gz IHLZJUIYRSSNBV-WKUSSTJHSA-N -1 1 570.667 6.434 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102655530 554998387 /nfs/dbraw/zinc/99/83/87/554998387.db2.gz PAABTJQOSWTHBD-JFTLGNCFSA-N -1 1 530.577 5.784 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)sc2c1 ZINC000102655530 554998390 /nfs/dbraw/zinc/99/83/90/554998390.db2.gz PAABTJQOSWTHBD-JFTLGNCFSA-N -1 1 530.577 5.784 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102655713 554998663 /nfs/dbraw/zinc/99/86/63/554998663.db2.gz ICJBSHULJCAZFF-QMNXYOJKSA-N -1 1 598.721 7.132 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000102655898 554998709 /nfs/dbraw/zinc/99/87/09/554998709.db2.gz UXGRPSNYHSLLJZ-LOTNQUKISA-N -1 1 604.684 6.834 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102674405 555003556 /nfs/dbraw/zinc/00/35/56/555003556.db2.gz SXINAUJAQVTOLW-IOUQRVAPSA-N -1 1 524.598 5.672 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(OCc4ccccc4)cc3)ccc2O1 ZINC000102674405 555003558 /nfs/dbraw/zinc/00/35/58/555003558.db2.gz SXINAUJAQVTOLW-IOUQRVAPSA-N -1 1 524.598 5.672 50 30 KKEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102678546 555004750 /nfs/dbraw/zinc/00/47/50/555004750.db2.gz VJLBQZQUJWCPMJ-HEWWQJFPSA-N -1 1 508.983 5.257 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102691132 555008133 /nfs/dbraw/zinc/00/81/33/555008133.db2.gz ILMMBKFOOREJHO-NPJIAGGLSA-N -1 1 514.603 6.028 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000102692139 555008603 /nfs/dbraw/zinc/00/86/03/555008603.db2.gz HLGXNAGMLZAFIS-KQAPWQHSSA-N -1 1 544.629 5.874 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000102698454 555012105 /nfs/dbraw/zinc/01/21/05/555012105.db2.gz OKQKFKUAPHXZFY-LFVOPCPISA-N -1 1 503.736 5.034 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)ccc2OC)c1 ZINC000102704718 555014032 /nfs/dbraw/zinc/01/40/32/555014032.db2.gz NBLLOXGXARKEKF-SBXHHDGASA-N -1 1 516.575 5.257 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102705891 555014653 /nfs/dbraw/zinc/01/46/53/555014653.db2.gz UHRJBBSIJJQEGO-NPJIAGGLSA-N -1 1 514.603 5.811 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102706496 555015113 /nfs/dbraw/zinc/01/51/13/555015113.db2.gz HITNVHVKZUHGPX-IUKMQXEJSA-N -1 1 514.603 5.947 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102707126 555015348 /nfs/dbraw/zinc/01/53/48/555015348.db2.gz ZFULHIDTPGZWOL-MOBKVPTQSA-N -1 1 519.420 6.248 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102707583 555015581 /nfs/dbraw/zinc/01/55/81/555015581.db2.gz SDJDTTHXULMRCK-AYWGPLOBSA-N -1 1 504.539 5.338 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(O)c(OC)c3)sc2c1 ZINC000102707583 555015583 /nfs/dbraw/zinc/01/55/83/555015583.db2.gz SDJDTTHXULMRCK-AYWGPLOBSA-N -1 1 504.539 5.338 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000102709574 555016048 /nfs/dbraw/zinc/01/60/48/555016048.db2.gz LVCUJKMETFGRLY-ONQGDUAMSA-N -1 1 542.657 6.671 50 30 KKEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2F)s1 ZINC000102712705 555017364 /nfs/dbraw/zinc/01/73/64/555017364.db2.gz SRUOQGBCAGLKBB-NXLSWJSLSA-N -1 1 515.566 5.499 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102715022 555018218 /nfs/dbraw/zinc/01/82/18/555018218.db2.gz KITBKJYAKQXECP-MOBKVPTQSA-N -1 1 519.966 6.047 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102715283 555018238 /nfs/dbraw/zinc/01/82/38/555018238.db2.gz SGTQDRHZGXPABL-SBXHHDGASA-N -1 1 500.576 5.502 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102715020 555018246 /nfs/dbraw/zinc/01/82/46/555018246.db2.gz KITBKJYAKQXECP-HOGKFDNTSA-N -1 1 519.966 6.047 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102715253 555018259 /nfs/dbraw/zinc/01/82/59/555018259.db2.gz QRKDZDIQXVURDW-SBXHHDGASA-N -1 1 528.586 5.280 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102715286 555018307 /nfs/dbraw/zinc/01/83/07/555018307.db2.gz SGTQDRHZGXPABL-NXLSWJSLSA-N -1 1 500.576 5.502 50 30 KKEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000102715859 555018565 /nfs/dbraw/zinc/01/85/65/555018565.db2.gz PBPJTXSCKGITPX-CJJGVWJISA-N -1 1 525.630 5.923 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102715774 555018691 /nfs/dbraw/zinc/01/86/91/555018691.db2.gz LAGDYVNMNZGTAK-AYWGPLOBSA-N -1 1 515.547 5.402 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102715774 555018694 /nfs/dbraw/zinc/01/86/94/555018694.db2.gz LAGDYVNMNZGTAK-AYWGPLOBSA-N -1 1 515.547 5.402 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102718168 555019315 /nfs/dbraw/zinc/01/93/15/555019315.db2.gz MSDAEVDOECGXCU-AYWGPLOBSA-N -1 1 504.564 5.404 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102718168 555019316 /nfs/dbraw/zinc/01/93/16/555019316.db2.gz MSDAEVDOECGXCU-AYWGPLOBSA-N -1 1 504.564 5.404 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102719871 555019953 /nfs/dbraw/zinc/01/99/53/555019953.db2.gz RXTFSBGPLYOTFJ-MOBKVPTQSA-N -1 1 503.511 5.532 50 30 KKEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(O)c(OC)c2)c1 ZINC000102720898 555020243 /nfs/dbraw/zinc/02/02/43/555020243.db2.gz JNHHNWMXPPRBLU-UVDRRRQGSA-N -1 1 516.575 5.262 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102721517 555020258 /nfs/dbraw/zinc/02/02/58/555020258.db2.gz PNJAREUPJAZCSA-NXLSWJSLSA-N -1 1 518.591 5.794 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102726465 555021857 /nfs/dbraw/zinc/02/18/57/555021857.db2.gz UWFSWKFZGSEZNA-HOGKFDNTSA-N -1 1 503.511 5.532 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102730183 555023537 /nfs/dbraw/zinc/02/35/37/555023537.db2.gz BFSHYSSWPFYOFP-SBXHHDGASA-N -1 1 516.575 5.257 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102734720 555024987 /nfs/dbraw/zinc/02/49/87/555024987.db2.gz BNSGCEHIEWSPIK-MOBKVPTQSA-N -1 1 504.564 5.404 50 30 KKEAMM CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102734720 555024989 /nfs/dbraw/zinc/02/49/89/555024989.db2.gz BNSGCEHIEWSPIK-MOBKVPTQSA-N -1 1 504.564 5.404 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000102735595 555025786 /nfs/dbraw/zinc/02/57/86/555025786.db2.gz WOTDXPVZNGCLAU-KWBQTAPJSA-N -1 1 514.578 6.002 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)nc2c(C)c1 ZINC000102735599 555025792 /nfs/dbraw/zinc/02/57/92/555025792.db2.gz WOTDXPVZNGCLAU-RKQXULEVSA-N -1 1 514.578 6.002 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102735611 555025815 /nfs/dbraw/zinc/02/58/15/555025815.db2.gz AQEXSDXEEVLINK-FECHNCLXSA-N -1 1 504.514 5.524 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000102770839 555058090 /nfs/dbraw/zinc/05/80/90/555058090.db2.gz NSTLULFUDMMLLY-RKQXULEVSA-N -1 1 575.484 6.625 50 30 KKEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770865 555058615 /nfs/dbraw/zinc/05/86/15/555058615.db2.gz IGBOMNQGXZSGGH-HTUFKCTLSA-N -1 1 559.087 7.197 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102770975 555059034 /nfs/dbraw/zinc/05/90/34/555059034.db2.gz GVNXIBLUDSRLRG-NGAXIMOQSA-N -1 1 583.735 6.904 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102770975 555059037 /nfs/dbraw/zinc/05/90/37/555059037.db2.gz GVNXIBLUDSRLRG-NGAXIMOQSA-N -1 1 583.735 6.904 50 30 KKEAMM Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102771024 555059311 /nfs/dbraw/zinc/05/93/11/555059311.db2.gz IPRDAECSNPLPKC-WRPQUVRJSA-N -1 1 500.551 5.694 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102771078 555059368 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C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771265 555060057 /nfs/dbraw/zinc/06/00/57/555060057.db2.gz LMIYFPDDGYERDB-KYWXLPDZSA-N -1 1 537.424 6.553 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102771464 555060295 /nfs/dbraw/zinc/06/02/95/555060295.db2.gz OMHTWCZUVRDPNT-YMMFOPJESA-N -1 1 559.644 5.919 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)s2)cc1 ZINC000102771445 555060324 /nfs/dbraw/zinc/06/03/24/555060324.db2.gz NNQBECOHYBXCFG-MWCANZRFSA-N -1 1 573.671 6.228 50 30 KKEAMM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3)ccc2O1 ZINC000102771409 555060413 /nfs/dbraw/zinc/06/04/13/555060413.db2.gz VMZQADAWYFPICE-DZSUXXLQSA-N -1 1 502.979 5.899 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3)ccc2O1 ZINC000102771409 555060415 /nfs/dbraw/zinc/06/04/15/555060415.db2.gz 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/nfs/dbraw/zinc/07/24/56/555072456.db2.gz RHBHXQJOKFJAAC-GHNGSUTGSA-N -1 1 500.935 5.047 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000102856942 555088303 /nfs/dbraw/zinc/08/83/03/555088303.db2.gz DZLDANQINPSPSS-SBXHHDGASA-N -1 1 530.602 5.565 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102856891 555088322 /nfs/dbraw/zinc/08/83/22/555088322.db2.gz OVHMBNTWJUZOIV-SBXHHDGASA-N -1 1 530.602 5.647 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102858548 555089347 /nfs/dbraw/zinc/08/93/47/555089347.db2.gz NZKNQAABLQTMOG-MRJHHRETSA-N -1 1 524.570 5.182 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102859635 555089958 /nfs/dbraw/zinc/08/99/58/555089958.db2.gz VIVBKUWHYJSYJJ-ZHHPLPSFSA-N -1 1 551.020 5.992 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102860511 555090618 /nfs/dbraw/zinc/09/06/18/555090618.db2.gz GQPQJAPXTCMWFU-MRJHHRETSA-N -1 1 522.598 5.691 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102860511 555090620 /nfs/dbraw/zinc/09/06/20/555090620.db2.gz GQPQJAPXTCMWFU-MRJHHRETSA-N -1 1 522.598 5.691 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102860732 555090844 /nfs/dbraw/zinc/09/08/44/555090844.db2.gz HIXFWJHGZHTPQD-HOGKFDNTSA-N -1 1 538.528 5.227 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102861546 555091474 /nfs/dbraw/zinc/09/14/74/555091474.db2.gz ILLKLCBEFJWBTQ-JBCNATCCSA-N -1 1 522.941 5.502 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102861613 555091498 /nfs/dbraw/zinc/09/14/98/555091498.db2.gz MDLNDNONNFTVOO-NXLSWJSLSA-N -1 1 500.576 5.638 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102864516 555094257 /nfs/dbraw/zinc/09/42/57/555094257.db2.gz KQVDUKJYFPTZOW-MOBKVPTQSA-N -1 1 508.958 6.114 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102864750 555094644 /nfs/dbraw/zinc/09/46/44/555094644.db2.gz UNLDCJSWLSDBCW-SBXHHDGASA-N -1 1 551.020 5.992 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102866324 555095469 /nfs/dbraw/zinc/09/54/69/555095469.db2.gz VJBHRFFRUDFFDB-HVESIFNPSA-N -1 1 503.363 5.171 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102866132 555095474 /nfs/dbraw/zinc/09/54/74/555095474.db2.gz UZBHFRMYQROCAF-LLAWDOGUSA-N -1 1 556.640 6.043 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102866617 555096042 /nfs/dbraw/zinc/09/60/42/555096042.db2.gz MXNQFRHJFVTNSA-SBXHHDGASA-N -1 1 532.549 5.232 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102867040 555096456 /nfs/dbraw/zinc/09/64/56/555096456.db2.gz FOPJYARJLDLORN-XTUFCYCQSA-N -1 1 570.667 6.352 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102867170 555096715 /nfs/dbraw/zinc/09/67/15/555096715.db2.gz UELHJSVIOGKXAE-QBTYMPIYSA-N -1 1 556.640 6.043 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000102867769 555097057 /nfs/dbraw/zinc/09/70/57/555097057.db2.gz HJWDUMVFWRVYJL-ZZIWUOEGSA-N -1 1 563.473 6.619 50 30 KKEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102867961 555097302 /nfs/dbraw/zinc/09/73/02/555097302.db2.gz FQJIQSAXMSOJLR-KNZGKXHUSA-N -1 1 533.005 5.908 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102867961 555097305 /nfs/dbraw/zinc/09/73/05/555097305.db2.gz FQJIQSAXMSOJLR-KNZGKXHUSA-N -1 1 533.005 5.908 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)cc1C ZINC000102867773 555097430 /nfs/dbraw/zinc/09/74/30/555097430.db2.gz HJWDUMVFWRVYJL-UVDRRRQGSA-N -1 1 563.473 6.619 50 30 KKEAMM CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000102868205 555097651 /nfs/dbraw/zinc/09/76/51/555097651.db2.gz YFIDOCGIUBQSPN-HOGKFDNTSA-N -1 1 555.052 6.005 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102868457 555097916 /nfs/dbraw/zinc/09/79/16/555097916.db2.gz FGHHOLOFXRGPMS-CZNAVJSXSA-N -1 1 520.582 5.586 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102868864 555098156 /nfs/dbraw/zinc/09/81/56/555098156.db2.gz BXSXQCURIGGYEQ-ONQGDUAMSA-N -1 1 572.639 5.881 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102868864 555098158 /nfs/dbraw/zinc/09/81/58/555098158.db2.gz BXSXQCURIGGYEQ-ONQGDUAMSA-N -1 1 572.639 5.881 50 30 KKEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)c1 ZINC000102869014 555098186 /nfs/dbraw/zinc/09/81/86/555098186.db2.gz VUGMDOQBIHBHKQ-XTUFCYCQSA-N -1 1 570.667 6.434 50 30 KKEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102869033 555098246 /nfs/dbraw/zinc/09/82/46/555098246.db2.gz XLAUWZKVJTVGLL-OGHRCCBNSA-N -1 1 512.587 5.563 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102868861 555098250 /nfs/dbraw/zinc/09/82/50/555098250.db2.gz BXSXQCURIGGYEQ-UUALVTFQSA-N -1 1 572.639 5.881 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)c1 ZINC000102868861 555098252 /nfs/dbraw/zinc/09/82/52/555098252.db2.gz BXSXQCURIGGYEQ-UUALVTFQSA-N -1 1 572.639 5.881 50 30 KKEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102869201 555098530 /nfs/dbraw/zinc/09/85/30/555098530.db2.gz OMXWJSMXODMSQO-KQAPWQHSSA-N -1 1 528.586 5.319 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102870100 555100149 /nfs/dbraw/zinc/10/01/49/555100149.db2.gz STOMUVWZYIMEEC-TXTDGAROSA-N -1 1 621.111 6.781 50 30 KKEAMM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102870195 555100352 /nfs/dbraw/zinc/10/03/52/555100352.db2.gz KWCDCQNRJQBABT-GBIFRDBCSA-N -1 1 602.684 6.819 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)ccc1OCCC(C)C ZINC000102870195 555100353 /nfs/dbraw/zinc/10/03/53/555100353.db2.gz KWCDCQNRJQBABT-GBIFRDBCSA-N -1 1 602.684 6.819 50 30 KKEAMM CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102870511 555100707 /nfs/dbraw/zinc/10/07/07/555100707.db2.gz UHVXCIDVHLRYIN-VTVSLZSGSA-N -1 1 627.788 7.349 50 30 KKEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1 ZINC000102873506 555103992 /nfs/dbraw/zinc/10/39/92/555103992.db2.gz IOBKHKVNVHBHKK-JBCNATCCSA-N -1 1 506.580 5.043 50 30 KKEAMM Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000102874775 555104861 /nfs/dbraw/zinc/10/48/61/555104861.db2.gz DJPOTYNMWIMMHG-KQAPWQHSSA-N -1 1 517.050 7.316 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000102875292 555105299 /nfs/dbraw/zinc/10/52/99/555105299.db2.gz RMGBZGVXBMBSAP-ZZIWUOEGSA-N -1 1 502.567 6.077 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102877045 555106645 /nfs/dbraw/zinc/10/66/45/555106645.db2.gz PAMWSYHOTYJTKP-MRJHHRETSA-N -1 1 539.407 5.985 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102876782 555106734 /nfs/dbraw/zinc/10/67/34/555106734.db2.gz CUYXTFNSLFHMGL-SBXHHDGASA-N -1 1 500.576 5.720 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000102877846 555107182 /nfs/dbraw/zinc/10/71/82/555107182.db2.gz TUGYUFLYUXBPDZ-MOBKVPTQSA-N -1 1 525.399 5.760 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000102877843 555107217 /nfs/dbraw/zinc/10/72/17/555107217.db2.gz TUGYUFLYUXBPDZ-HOGKFDNTSA-N -1 1 525.399 5.760 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102878166 555107573 /nfs/dbraw/zinc/10/75/73/555107573.db2.gz KEBKWBAVNMRFPH-YDJIHCHBSA-N -1 1 525.380 5.677 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102879533 555108798 /nfs/dbraw/zinc/10/87/98/555108798.db2.gz XDJMBOGDZDFYSN-WOOAAIBNSA-N -1 1 547.416 5.488 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102881576 555110040 /nfs/dbraw/zinc/11/00/40/555110040.db2.gz KOGSMSYPLVBQQU-NXLSWJSLSA-N -1 1 534.565 5.478 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102882723 555111151 /nfs/dbraw/zinc/11/11/51/555111151.db2.gz FORCWUGRJKHRFH-ZHHPLPSFSA-N -1 1 550.589 5.249 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102882747 555111159 /nfs/dbraw/zinc/11/11/59/555111159.db2.gz WCEUNLIJGMGECK-MOBKVPTQSA-N -1 1 508.958 6.114 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102883608 555112042 /nfs/dbraw/zinc/11/20/42/555112042.db2.gz XQEZSZIYNQWNBL-MRJHHRETSA-N -1 1 529.376 6.377 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102884042 555112838 /nfs/dbraw/zinc/11/28/38/555112838.db2.gz AUZDSXGANKXCKC-AYWGPLOBSA-N -1 1 518.660 6.680 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 ZINC000102884242 555112876 /nfs/dbraw/zinc/11/28/76/555112876.db2.gz AADVPSXFZKGIRT-ZRUWLVFBSA-N -1 1 618.711 7.142 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1 ZINC000102884186 555112895 /nfs/dbraw/zinc/11/28/95/555112895.db2.gz NNQSEOUKTKWKJE-UUALVTFQSA-N -1 1 556.640 6.181 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102884528 555113417 /nfs/dbraw/zinc/11/34/17/555113417.db2.gz WZDSJZYFPBNZRD-HJFSGKHBSA-N -1 1 539.009 5.231 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102884591 555113744 /nfs/dbraw/zinc/11/37/44/555113744.db2.gz OTYQBVWJKGCCTI-JRPVAJNPSA-N -1 1 530.577 5.784 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102884694 555114191 /nfs/dbraw/zinc/11/41/91/555114191.db2.gz RVAABEGGFIOPMS-OTQMSCLFSA-N -1 1 576.671 5.757 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102884694 555114193 /nfs/dbraw/zinc/11/41/93/555114193.db2.gz RVAABEGGFIOPMS-OTQMSCLFSA-N -1 1 576.671 5.757 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102884714 555114209 /nfs/dbraw/zinc/11/42/09/555114209.db2.gz VQPAIFMERJYVAN-YZUJGMDRSA-N -1 1 614.720 6.688 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102884714 555114210 /nfs/dbraw/zinc/11/42/10/555114210.db2.gz VQPAIFMERJYVAN-YZUJGMDRSA-N -1 1 614.720 6.688 50 30 KKEAMM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102884696 555114273 /nfs/dbraw/zinc/11/42/73/555114273.db2.gz RVAABEGGFIOPMS-MWCANZRFSA-N -1 1 576.671 5.757 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102884696 555114275 /nfs/dbraw/zinc/11/42/75/555114275.db2.gz RVAABEGGFIOPMS-MWCANZRFSA-N -1 1 576.671 5.757 50 30 KKEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102885407 555115551 /nfs/dbraw/zinc/11/55/51/555115551.db2.gz IAHZHVVUXNSECS-HAQIDCBSSA-N -1 1 531.033 6.462 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102885690 555115770 /nfs/dbraw/zinc/11/57/70/555115770.db2.gz BVGXZVBTJOCNIF-NXLSWJSLSA-N -1 1 578.643 5.205 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102886103 555116655 /nfs/dbraw/zinc/11/66/55/555116655.db2.gz CXUOICULPXPQJR-SXFMABAMSA-N -1 1 554.624 5.649 50 30 KKEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102886104 555116710 /nfs/dbraw/zinc/11/67/10/555116710.db2.gz CXUOICULPXPQJR-RTMQWWODSA-N -1 1 554.624 5.649 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102886355 555116899 /nfs/dbraw/zinc/11/68/99/555116899.db2.gz PZDCWPVYYXHEBH-CGKJMNDRSA-N -1 1 528.586 5.263 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102886344 555116918 /nfs/dbraw/zinc/11/69/18/555116918.db2.gz LVUDUIBMLLOXQG-SSELITHESA-N -1 1 570.623 5.431 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102886344 555116920 /nfs/dbraw/zinc/11/69/20/555116920.db2.gz LVUDUIBMLLOXQG-SSELITHESA-N -1 1 570.623 5.431 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000102886679 555117253 /nfs/dbraw/zinc/11/72/53/555117253.db2.gz CKYDGXHMBNNJFI-AIKCTZLLSA-N -1 1 513.575 5.040 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccnc3)sc2c1 ZINC000102886679 555117255 /nfs/dbraw/zinc/11/72/55/555117255.db2.gz CKYDGXHMBNNJFI-AIKCTZLLSA-N -1 1 513.575 5.040 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102887057 555117849 /nfs/dbraw/zinc/11/78/49/555117849.db2.gz DJXGXYZSAMDSNL-SLPYKNDMSA-N -1 1 584.694 6.880 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102887091 555118118 /nfs/dbraw/zinc/11/81/18/555118118.db2.gz ZKRIRQQFRGTIJC-CJJGVWJISA-N -1 1 504.583 5.967 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102887091 555118121 /nfs/dbraw/zinc/11/81/21/555118121.db2.gz ZKRIRQQFRGTIJC-CJJGVWJISA-N -1 1 504.583 5.967 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102887328 555118793 /nfs/dbraw/zinc/11/87/93/555118793.db2.gz XFDOTNDIYJSVSS-FSDXSRJSSA-N -1 1 592.670 5.375 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102887328 555118794 /nfs/dbraw/zinc/11/87/94/555118794.db2.gz XFDOTNDIYJSVSS-FSDXSRJSSA-N -1 1 592.670 5.375 50 30 KKEAMM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102887427 555119218 /nfs/dbraw/zinc/11/92/18/555119218.db2.gz ZHVPRANSIWHHMM-DHJMZRGKSA-N -1 1 588.638 5.336 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102887572 555119599 /nfs/dbraw/zinc/11/95/99/555119599.db2.gz MZFYZOQAINNGNC-JOMJOIQHSA-N -1 1 605.112 7.087 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102887523 555119607 /nfs/dbraw/zinc/11/96/07/555119607.db2.gz IMBQIJCISUWLOK-FZIUWASMSA-N -1 1 558.612 5.272 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102887731 555119863 /nfs/dbraw/zinc/11/98/63/555119863.db2.gz OSUROUUHUGWTRO-JLPDLQRYSA-N -1 1 602.709 6.313 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102887731 555119864 /nfs/dbraw/zinc/11/98/64/555119864.db2.gz OSUROUUHUGWTRO-JLPDLQRYSA-N -1 1 602.709 6.313 50 30 KKEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(Br)cn3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102887954 555120491 /nfs/dbraw/zinc/12/04/91/555120491.db2.gz SDMGYVAKCMSBID-MRJHHRETSA-N -1 1 558.226 5.632 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102888147 555120723 /nfs/dbraw/zinc/12/07/23/555120723.db2.gz OWWCEHCYCLULOR-CJJGVWJISA-N -1 1 598.633 5.215 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102888177 555120875 /nfs/dbraw/zinc/12/08/75/555120875.db2.gz LUCRLSAIIVDYBP-VGZNNGDKSA-N -1 1 598.721 7.214 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000102888412 555121476 /nfs/dbraw/zinc/12/14/76/555121476.db2.gz XRNRSNMWIIYLNP-LHKMDIPOSA-N -1 1 621.740 6.942 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102888340 555121501 /nfs/dbraw/zinc/12/15/01/555121501.db2.gz NBSOEEJUHDOXQV-QMDVFYPZSA-N -1 1 584.694 6.742 50 30 KKEAMM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102888681 555122183 /nfs/dbraw/zinc/12/21/83/555122183.db2.gz WRHWXEJMMNPUDF-YYXRCVDTSA-N -1 1 588.638 5.280 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102888681 555122185 /nfs/dbraw/zinc/12/21/85/555122185.db2.gz WRHWXEJMMNPUDF-YYXRCVDTSA-N -1 1 588.638 5.280 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)ccc1OCCC(C)C ZINC000102888806 555122567 /nfs/dbraw/zinc/12/25/67/555122567.db2.gz FQSRWDGIOJOJIR-RIEKNRFYSA-N -1 1 612.748 7.378 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102888959 555122748 /nfs/dbraw/zinc/12/27/48/555122748.db2.gz KNSUYLYMJSHKMK-JEFHYQBXSA-N -1 1 532.618 5.311 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102888961 555122886 /nfs/dbraw/zinc/12/28/86/555122886.db2.gz KNSUYLYMJSHKMK-NMSSPVSYSA-N -1 1 532.618 5.311 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102889430 555123595 /nfs/dbraw/zinc/12/35/95/555123595.db2.gz LVIPKUBSJPBSMR-MZPHIWECSA-N -1 1 570.667 6.270 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000102889562 555123713 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CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102890800 555126248 /nfs/dbraw/zinc/12/62/48/555126248.db2.gz USCHGNKNXKGUAN-IZSGBISHSA-N -1 1 616.711 7.353 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1OCC ZINC000102890800 555126250 /nfs/dbraw/zinc/12/62/50/555126250.db2.gz USCHGNKNXKGUAN-IZSGBISHSA-N -1 1 616.711 7.353 50 30 KKEAMM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000102892400 555128756 /nfs/dbraw/zinc/12/87/56/555128756.db2.gz OEQHJPVULFMRLI-KGBBCNSRSA-N -1 1 621.509 6.340 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102892824 555129347 /nfs/dbraw/zinc/12/93/47/555129347.db2.gz OSVYJVDUWANVJZ-HOTYXSFQSA-N -1 1 567.450 6.561 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893073 555129868 /nfs/dbraw/zinc/12/98/68/555129868.db2.gz BWVTXOGCSXPRPL-JOMJOIQHSA-N -1 1 586.666 6.052 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893073 555129870 /nfs/dbraw/zinc/12/98/70/555129870.db2.gz BWVTXOGCSXPRPL-JOMJOIQHSA-N -1 1 586.666 6.052 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893078 555129960 /nfs/dbraw/zinc/12/99/60/555129960.db2.gz BWVTXOGCSXPRPL-LQRKZSIOSA-N -1 1 586.666 6.052 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893078 555129963 /nfs/dbraw/zinc/12/99/63/555129963.db2.gz BWVTXOGCSXPRPL-LQRKZSIOSA-N -1 1 586.666 6.052 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102893388 555130707 /nfs/dbraw/zinc/13/07/07/555130707.db2.gz KBJRXXREVJWEGP-NSOCNUKWSA-N -1 1 618.708 5.932 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102893388 555130709 /nfs/dbraw/zinc/13/07/09/555130709.db2.gz KBJRXXREVJWEGP-NSOCNUKWSA-N -1 1 618.708 5.932 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102893411 555130736 /nfs/dbraw/zinc/13/07/36/555130736.db2.gz CZCLGMGOHAQFNX-QMMFTLRZSA-N -1 1 630.719 6.670 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102893391 555130744 /nfs/dbraw/zinc/13/07/44/555130744.db2.gz KBJRXXREVJWEGP-JVJOXMINSA-N -1 1 618.708 5.932 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102893391 555130748 /nfs/dbraw/zinc/13/07/48/555130748.db2.gz KBJRXXREVJWEGP-JVJOXMINSA-N -1 1 618.708 5.932 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000102893375 555130843 /nfs/dbraw/zinc/13/08/43/555130843.db2.gz AKTJLYXQLCEYGW-PLWHFILJSA-N -1 1 588.682 5.923 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000102893375 555130845 /nfs/dbraw/zinc/13/08/45/555130845.db2.gz AKTJLYXQLCEYGW-PLWHFILJSA-N -1 1 588.682 5.923 50 30 KKEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102894451 555132549 /nfs/dbraw/zinc/13/25/49/555132549.db2.gz QOOPQULXEIRCJI-PDZZUNKHSA-N -1 1 605.112 7.087 50 30 KKEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102894451 555132550 /nfs/dbraw/zinc/13/25/50/555132550.db2.gz QOOPQULXEIRCJI-PDZZUNKHSA-N -1 1 605.112 7.087 50 30 KKEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102894827 555133252 /nfs/dbraw/zinc/13/32/52/555133252.db2.gz RSJILABPAUJYFP-CJJGVWJISA-N -1 1 574.611 5.110 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102896072 555135743 /nfs/dbraw/zinc/13/57/43/555135743.db2.gz HYUCLXFLKZBLKT-WGGXKBPPSA-N -1 1 616.692 6.280 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)cc1OCC ZINC000102896072 555135745 /nfs/dbraw/zinc/13/57/45/555135745.db2.gz HYUCLXFLKZBLKT-WGGXKBPPSA-N -1 1 616.692 6.280 50 30 KKEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102897273 555137463 /nfs/dbraw/zinc/13/74/63/555137463.db2.gz JOTNUOQTBSJQTD-SBXHHDGASA-N -1 1 578.643 5.061 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102899734 555139378 /nfs/dbraw/zinc/13/93/78/555139378.db2.gz MONFEMFFBKCPMI-LOTNQUKISA-N -1 1 628.747 7.222 50 30 KKEAMM CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102899734 555139381 /nfs/dbraw/zinc/13/93/81/555139381.db2.gz MONFEMFFBKCPMI-LOTNQUKISA-N -1 1 628.747 7.222 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102924581 555148685 /nfs/dbraw/zinc/14/86/85/555148685.db2.gz VTZLPRVHUHXMOV-IUKMQXEJSA-N -1 1 546.601 5.347 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102924581 555148689 /nfs/dbraw/zinc/14/86/89/555148689.db2.gz VTZLPRVHUHXMOV-IUKMQXEJSA-N -1 1 546.601 5.347 50 30 KKEAMM COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102925345 555149725 /nfs/dbraw/zinc/14/97/25/555149725.db2.gz REQJBKJWZXRMMY-UVDRRRQGSA-N -1 1 518.566 5.696 50 30 KKEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102925341 555149764 /nfs/dbraw/zinc/14/97/64/555149764.db2.gz REQJBKJWZXRMMY-ZZIWUOEGSA-N -1 1 518.566 5.696 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102927907 555152621 /nfs/dbraw/zinc/15/26/21/555152621.db2.gz BVNPYQFXPORLCJ-MOBKVPTQSA-N -1 1 518.547 5.009 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102927888 555152665 /nfs/dbraw/zinc/15/26/65/555152665.db2.gz BOIKGVJRGJBUJZ-SBXHHDGASA-N -1 1 516.575 5.339 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102928070 555153187 /nfs/dbraw/zinc/15/31/87/555153187.db2.gz RALBTBBYGJFSEQ-MRJHHRETSA-N -1 1 508.577 5.010 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102928247 555153408 /nfs/dbraw/zinc/15/34/08/555153408.db2.gz VNTQTRXAAIXOAQ-ZHHPLPSFSA-N -1 1 520.538 5.088 50 30 KKEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102931068 555158308 /nfs/dbraw/zinc/15/83/08/555158308.db2.gz HBZDRMVNWJGSGK-ZHHPLPSFSA-N -1 1 520.538 5.088 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102931694 555159257 /nfs/dbraw/zinc/15/92/57/555159257.db2.gz DHGCQJIOEGMDGS-AYWGPLOBSA-N -1 1 520.563 5.240 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102931693 555159260 /nfs/dbraw/zinc/15/92/60/555159260.db2.gz DHGCQJIOEGMDGS-ZHHPLPSFSA-N -1 1 520.563 5.240 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C ZINC000102934994 555162334 /nfs/dbraw/zinc/16/23/34/555162334.db2.gz UCJDOAPWAOPEQM-YDJIHCHBSA-N -1 1 571.449 5.334 50 30 KKEAMM O=c1[nH]c2c(-c3nc(-c4ccc(Br)cc4)cs3)c([O-])cn2c2cc(-c3ccccc3)sc21 ZINC000102949332 555172430 /nfs/dbraw/zinc/17/24/30/555172430.db2.gz WDEPTTNVKJKCKH-UHFFFAOYSA-N -1 1 520.433 5.802 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000103928965 571370092 /nfs/dbraw/zinc/37/00/92/571370092.db2.gz RMZRFDQJIOKANX-MOBKVPTQSA-N -1 1 520.607 5.134 50 30 KKEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000103929021 571370159 /nfs/dbraw/zinc/37/01/59/571370159.db2.gz GCMOQPFZYQVVGK-YDJIHCHBSA-N -1 1 571.449 5.334 50 30 KKEAMM Cc1nn(Cc2ccccc2)c2c1[C@H](c1cc(I)cc(I)c1[O-])C1=C(CCCC1=O)O2 ZINC000150388753 571471122 /nfs/dbraw/zinc/47/11/22/571471122.db2.gz HLHKTZJIJCLUFG-NRFANRHFSA-N -1 1 638.243 5.686 50 30 KKEAMM CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1Cl ZINC000150390441 571472733 /nfs/dbraw/zinc/47/27/33/571472733.db2.gz IUUYVCOGLVYYOX-UHFFFAOYSA-N -1 1 813.454 10.566 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000150391811 571474071 /nfs/dbraw/zinc/47/40/71/571474071.db2.gz JSTOTQSGCXBOQK-WGGXKBPPSA-N -1 1 640.714 6.412 50 30 KKEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150418228 571486487 /nfs/dbraw/zinc/48/64/87/571486487.db2.gz OLFGLYICHWZGNE-ONQGDUAMSA-N -1 1 666.177 6.679 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000150422200 571488133 /nfs/dbraw/zinc/48/81/33/571488133.db2.gz VESWORFXTAHDFI-RIEKNRFYSA-N -1 1 706.286 8.257 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(OCCC(C)C)c(OCC)c3)sc2c1 ZINC000150422257 571488385 /nfs/dbraw/zinc/48/83/85/571488385.db2.gz LLZXFOFHTIFZMK-QMWVLESOSA-N -1 1 642.774 7.468 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000150424239 571488985 /nfs/dbraw/zinc/48/89/85/571488985.db2.gz UINYYWOMOFCRBU-ZAOVDLIJSA-N -1 1 685.868 7.912 50 30 KKEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150426565 571490888 /nfs/dbraw/zinc/49/08/88/571490888.db2.gz FACPDLLUUXPGRE-NXLSWJSLSA-N -1 1 670.552 6.321 50 30 KKEAMM 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50 30 KKEAMM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000150435833 571495697 /nfs/dbraw/zinc/49/56/97/571495697.db2.gz WILFOJKZRHUJRB-KFLIVHAJSA-N -1 1 650.709 6.680 50 30 KKEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3ccc(OC)cc3s2)ccc1OCc1ccccc1 ZINC000150435833 571495698 /nfs/dbraw/zinc/49/56/98/571495698.db2.gz WILFOJKZRHUJRB-KFLIVHAJSA-N -1 1 650.709 6.680 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435839 571495712 /nfs/dbraw/zinc/49/57/12/571495712.db2.gz RWTAJAJKOCXJDZ-CFQDGGCTSA-N -1 1 664.736 7.070 50 30 KKEAMM CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OCC)c3)sc2c1 ZINC000150435839 571495713 /nfs/dbraw/zinc/49/57/13/571495713.db2.gz RWTAJAJKOCXJDZ-CFQDGGCTSA-N -1 1 664.736 7.070 50 30 KKEAMM CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000150435790 571495737 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COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000150456103 571504560 /nfs/dbraw/zinc/50/45/60/571504560.db2.gz QPSUHMLPVOAMRW-UVDRRRQGSA-N -1 1 623.481 5.787 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150457922 571505183 /nfs/dbraw/zinc/50/51/83/571505183.db2.gz OYVLFCJSEYMCOG-RIEKNRFYSA-N -1 1 665.768 7.498 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000150458634 571505408 /nfs/dbraw/zinc/50/54/08/571505408.db2.gz TVJYVSLHHKCCKS-QMMFTLRZSA-N -1 1 654.741 6.715 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000150458127 571505547 /nfs/dbraw/zinc/50/55/47/571505547.db2.gz HXNLTSRGMGIPIT-VIDUVWHZSA-N -1 1 661.805 7.668 50 30 KKEAMM Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000150458116 571505551 /nfs/dbraw/zinc/50/55/51/571505551.db2.gz HXNLTSRGMGIPIT-ZAOVDLIJSA-N -1 1 661.805 7.668 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150460306 571505908 /nfs/dbraw/zinc/50/59/08/571505908.db2.gz PSQUSMYICFTOTI-VGZNNGDKSA-N -1 1 692.259 8.011 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150460458 571506060 /nfs/dbraw/zinc/50/60/60/571506060.db2.gz ALQKXVGNBJDBLA-HWTUVFLMSA-N -1 1 661.777 7.107 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150460641 571506143 /nfs/dbraw/zinc/50/61/43/571506143.db2.gz LXHVFFQYHQIHKY-IBGUXELQSA-N -1 1 707.874 8.511 50 30 KKEAMM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150461229 571506368 /nfs/dbraw/zinc/50/63/68/571506368.db2.gz DDNMCDZVBBTUFJ-NNZNMFTDSA-N -1 1 633.795 8.057 50 30 KKEAMM CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150461178 571506402 /nfs/dbraw/zinc/50/64/02/571506402.db2.gz MCJRIDKPEDKFFD-QMDVFYPZSA-N -1 1 696.678 8.656 50 30 KKEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150462868 571506753 /nfs/dbraw/zinc/50/67/53/571506753.db2.gz ZVYZBUBZZSZXNM-VGZNNGDKSA-N -1 1 675.804 7.497 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150463327 571506941 /nfs/dbraw/zinc/50/69/41/571506941.db2.gz JRXFWVPVMBRSDX-JDDIYYEHSA-N -1 1 641.496 5.221 50 30 KKEAMM CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463164 571506969 /nfs/dbraw/zinc/50/69/69/571506969.db2.gz IDKBOMZMDYJKGY-DNNDWWBDSA-N -1 1 662.233 7.858 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000150462984 571507063 /nfs/dbraw/zinc/50/70/63/571507063.db2.gz PYLDXMLOKZKIHF-ZHHPLPSFSA-N -1 1 646.961 7.188 50 30 KKEAMM O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000150462986 571507066 /nfs/dbraw/zinc/50/70/66/571507066.db2.gz PYLDXMLOKZKIHF-AYWGPLOBSA-N -1 1 646.961 7.188 50 30 KKEAMM CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150463398 571507320 /nfs/dbraw/zinc/50/73/20/571507320.db2.gz NAZIKHTWASDAMV-ZAOVDLIJSA-N -1 1 685.868 8.056 50 30 KKEAMM CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463696 571507343 /nfs/dbraw/zinc/50/73/43/571507343.db2.gz HZMUETVAUGBJME-WYNCGZBVSA-N -1 1 648.206 7.612 50 30 KKEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150464007 571507517 /nfs/dbraw/zinc/50/75/17/571507517.db2.gz DXVHJJDRGKOWGR-KGDZIIOTSA-N -1 1 623.481 5.731 50 30 KKEAMM CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463698 571507547 /nfs/dbraw/zinc/50/75/47/571507547.db2.gz HZMUETVAUGBJME-DZTJFIFISA-N -1 1 648.206 7.612 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150466093 571507838 /nfs/dbraw/zinc/50/78/38/571507838.db2.gz LBDPJTIUJPUCTP-NBXYUPGTSA-N -1 1 666.752 6.722 50 30 KKEAMM C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150466093 571507841 /nfs/dbraw/zinc/50/78/41/571507841.db2.gz LBDPJTIUJPUCTP-NBXYUPGTSA-N -1 1 666.752 6.722 50 30 KKEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000150472716 571510218 /nfs/dbraw/zinc/51/02/18/571510218.db2.gz JVGWSARPEKHLOS-KNZGKXHUSA-N -1 1 628.534 7.226 50 30 KKEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150480419 571511980 /nfs/dbraw/zinc/51/19/80/571511980.db2.gz RMHLKELEGUMZCP-VEZPTTSMSA-N -1 1 649.750 6.946 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150480962 571512265 /nfs/dbraw/zinc/51/22/65/571512265.db2.gz DEPFJGMSBRVXGD-WGGXKBPPSA-N -1 1 659.786 6.806 50 30 KKEAMM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150481977 571512935 /nfs/dbraw/zinc/51/29/35/571512935.db2.gz ILPNVUKTFGLKBO-WGGXKBPPSA-N -1 1 677.776 6.945 50 30 KKEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Br)c2)cc1F ZINC000150483261 571514038 /nfs/dbraw/zinc/51/40/38/571514038.db2.gz ZJOPOESRAQECML-AREMUKBSSA-N -1 1 646.563 7.977 50 30 KKEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150484755 571515265 /nfs/dbraw/zinc/51/52/65/571515265.db2.gz PDEIGHZULVIIMG-WGGXKBPPSA-N -1 1 659.786 6.724 50 30 KKEAMM CCCCCOP(=O)(OCCCCC)[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2)C=C(Br)C(=O)c2ccccc21 ZINC000150494387 571517532 /nfs/dbraw/zinc/51/75/32/571517532.db2.gz TUAQDOXYNBEZFD-SANMLTNESA-N -1 1 632.941 7.553 50 30 KKEAMM O=[N+]([O-])c1ccc(Nc2nc(N=NCc3cc(I)cc(I)c3[O-])nc(N3CCCCCC3)n2)cc1 ZINC000252617753 572269032 /nfs/dbraw/zinc/26/90/32/572269032.db2.gz KZKOOPCGOYQMNG-UHFFFAOYSA-N -1 1 700.279 5.265 50 30 KKEAMM