smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000154948961 929544066 /nfs/dbraw/zinc/54/40/66/929544066.db2.gz MZNBKPZLRVQRDM-HNNXBMFYSA-N -1 1 374.289 3.575 20 10 FHCDMM CC[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1nnc2n1CCCCC2 ZINC000276978170 934208599 /nfs/dbraw/zinc/20/85/99/934208599.db2.gz VJYIKQVGXXDKOE-FZMZJTMJSA-N -1 1 350.413 3.790 20 10 FHCDMM Cc1ccc(C)n1-c1ccsc1C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066638140 940780137 /nfs/dbraw/zinc/78/01/37/940780137.db2.gz YGGYCVYDKVNCHX-UHFFFAOYSA-N -1 1 373.507 3.675 20 10 FHCDMM [O-]c1c(F)cccc1CN1CCOc2ccc(Br)cc2C1 ZINC000802659351 943192688 /nfs/dbraw/zinc/19/26/88/943192688.db2.gz LVYDKIIPAKSAHZ-UHFFFAOYSA-N -1 1 352.203 3.688 20 10 FHCDMM [O-]c1ccc(Cl)c(F)c1CNc1nc2ccc(Br)cn2n1 ZINC000195050712 944790928 /nfs/dbraw/zinc/79/09/28/944790928.db2.gz LJPKGISAVSLMJZ-UHFFFAOYSA-N -1 1 371.597 3.602 20 10 FHCDMM CN(c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1)C1CCCCC1 ZINC000736841960 599418431 /nfs/dbraw/zinc/41/84/31/599418431.db2.gz KEFSZCIGVZCLCV-UHFFFAOYSA-N -1 1 363.469 3.643 20 10 FHCDMM CN(c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1)C1CCCCC1 ZINC000736841960 599418436 /nfs/dbraw/zinc/41/84/36/599418436.db2.gz KEFSZCIGVZCLCV-UHFFFAOYSA-N -1 1 363.469 3.643 20 10 FHCDMM O=C([O-])[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1Cl ZINC000833169040 600747245 /nfs/dbraw/zinc/74/72/45/600747245.db2.gz COPXOQJBQZIONG-INIZCTEOSA-N -1 1 352.217 3.844 20 10 FHCDMM CC(C)Cn1ccc2c1cccc2C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000785035261 931573461 /nfs/dbraw/zinc/57/34/61/931573461.db2.gz WESQWMBPZGKLAV-UHFFFAOYSA-N -1 1 367.401 3.748 20 10 FHCDMM CC[C@H](NCc1nnc2n1CCCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000158103750 938478670 /nfs/dbraw/zinc/47/86/70/938478670.db2.gz ZPVDFBYNYBACIM-LBPRGKRZSA-N -1 1 355.269 3.868 20 10 FHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000894238198 942092549 /nfs/dbraw/zinc/09/25/49/942092549.db2.gz HRSGSBGGIKFMJM-WBVHZDCISA-N -1 1 360.841 3.765 20 10 FHCDMM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000894247067 942484000 /nfs/dbraw/zinc/48/40/00/942484000.db2.gz COSHJXQJUVIMJE-NSHDSACASA-N -1 1 364.877 3.866 20 10 FHCDMM COc1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)ccc1Cl ZINC000840948542 946875740 /nfs/dbraw/zinc/87/57/40/946875740.db2.gz JINGZSUNYWJRGO-UHFFFAOYSA-N -1 1 366.870 3.750 20 10 FHCDMM CCn1ccc(CN[C@H](C)c2cc(Br)cc(Cl)c2[O-])n1 ZINC000840840189 946919772 /nfs/dbraw/zinc/91/97/72/946919772.db2.gz HHBYKRUAXVYLIB-SECBINFHSA-N -1 1 358.667 3.875 20 10 FHCDMM CC[C@](C)(NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)[O-] ZINC000736864740 600561745 /nfs/dbraw/zinc/56/17/45/600561745.db2.gz WVALRKYFLZFLRC-IBGZPJMESA-N -1 1 354.410 3.883 20 10 FHCDMM C[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@@H]1NC(=O)[O-] ZINC000739179144 603398747 /nfs/dbraw/zinc/39/87/47/603398747.db2.gz AACKUMFVVRZKHX-LRDDRELGSA-N -1 1 354.406 3.770 20 10 FHCDMM C[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@@H]1NC(=O)[O-] ZINC000739179144 603398750 /nfs/dbraw/zinc/39/87/50/603398750.db2.gz AACKUMFVVRZKHX-LRDDRELGSA-N -1 1 354.406 3.770 20 10 FHCDMM C[N@H+](Cc1cc(Cl)ccc1[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694594 604675959 /nfs/dbraw/zinc/67/59/59/604675959.db2.gz OGMYCWDWYUDUJN-HNNXBMFYSA-N -1 1 359.731 3.721 20 10 FHCDMM C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694594 604675962 /nfs/dbraw/zinc/67/59/62/604675962.db2.gz OGMYCWDWYUDUJN-HNNXBMFYSA-N -1 1 359.731 3.721 20 10 FHCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000833400707 604931907 /nfs/dbraw/zinc/93/19/07/604931907.db2.gz KYPOHTQIAMVYTB-CYBMUJFWSA-N -1 1 353.846 3.571 20 10 FHCDMM O=C([O-])Nc1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000834268988 605607684 /nfs/dbraw/zinc/60/76/84/605607684.db2.gz OHKVRZKRJIWLMR-GOSISDBHSA-N -1 1 356.422 3.663 20 10 FHCDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1Cc2ccccc2C1 ZINC000728197677 928059659 /nfs/dbraw/zinc/05/96/59/928059659.db2.gz HSZSNXCQWYBUAE-UHFFFAOYSA-N -1 1 373.452 3.928 20 10 FHCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1Cc2ccccc2C1 ZINC000728197677 928059679 /nfs/dbraw/zinc/05/96/79/928059679.db2.gz HSZSNXCQWYBUAE-UHFFFAOYSA-N -1 1 373.452 3.928 20 10 FHCDMM CCn1ccnc1CN[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000834880112 932165450 /nfs/dbraw/zinc/16/54/50/932165450.db2.gz JOGWRLBUHWHPPT-VIFPVBQESA-N -1 1 358.667 3.875 20 10 FHCDMM COC(=O)c1cc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])oc1C ZINC000176995844 939032341 /nfs/dbraw/zinc/03/23/41/939032341.db2.gz VXHACDTVBIDKTA-UHFFFAOYSA-N -1 1 365.813 3.568 20 10 FHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000894238193 942091552 /nfs/dbraw/zinc/09/15/52/942091552.db2.gz HRSGSBGGIKFMJM-DOTOQJQBSA-N -1 1 360.841 3.765 20 10 FHCDMM COc1cccc([C@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2ccccn2)c1 ZINC000364192591 944030256 /nfs/dbraw/zinc/03/02/56/944030256.db2.gz ZXNLNYFZLYNCPD-FQEVSTJZSA-N -1 1 365.389 3.583 20 10 FHCDMM CC(C)(CC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000281063691 945514496 /nfs/dbraw/zinc/51/44/96/945514496.db2.gz TZJXRXSQZCCQQW-UHFFFAOYSA-N -1 1 354.166 3.750 20 10 FHCDMM COCCOCCOc1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000897110100 946702718 /nfs/dbraw/zinc/70/27/18/946702718.db2.gz PNLFGLYVBKOYNC-UHFFFAOYSA-N -1 1 351.830 3.700 20 10 FHCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])Cc1cc(F)cc2cccnc21 ZINC000739794244 600145434 /nfs/dbraw/zinc/14/54/34/600145434.db2.gz XHQCVEMMSRQURX-UHFFFAOYSA-N -1 1 374.799 3.820 20 10 FHCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])Cc1cc(F)cc2cccnc21 ZINC000739794244 600145436 /nfs/dbraw/zinc/14/54/36/600145436.db2.gz XHQCVEMMSRQURX-UHFFFAOYSA-N -1 1 374.799 3.820 20 10 FHCDMM C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@@H]1NC(=O)[O-] ZINC000739179152 603398857 /nfs/dbraw/zinc/39/88/57/603398857.db2.gz AACKUMFVVRZKHX-WBMJQRKESA-N -1 1 354.406 3.770 20 10 FHCDMM C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@@H]1NC(=O)[O-] ZINC000739179152 603398860 /nfs/dbraw/zinc/39/88/60/603398860.db2.gz AACKUMFVVRZKHX-WBMJQRKESA-N -1 1 354.406 3.770 20 10 FHCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000833400708 604931605 /nfs/dbraw/zinc/93/16/05/604931605.db2.gz KYPOHTQIAMVYTB-ZDUSSCGKSA-N -1 1 353.846 3.571 20 10 FHCDMM Cc1noc(C(C)C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000277453684 935204008 /nfs/dbraw/zinc/20/40/08/935204008.db2.gz GHZISNQMWAKLFV-UHFFFAOYSA-N -1 1 353.216 3.505 20 10 FHCDMM CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875786 935717184 /nfs/dbraw/zinc/71/71/84/935717184.db2.gz MFLTUIBWKGJQJM-UHFFFAOYSA-N -1 1 366.339 3.516 20 10 FHCDMM Cc1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)ccc1CO ZINC001211585381 938285892 /nfs/dbraw/zinc/28/58/92/938285892.db2.gz QUQNHACGVNIAEB-UHFFFAOYSA-N -1 1 359.381 3.712 20 10 FHCDMM CCCN(CCC)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000728696899 941667083 /nfs/dbraw/zinc/66/70/83/941667083.db2.gz APMWQQNUJRSBLP-SILNSSARSA-N -1 1 363.461 3.774 20 10 FHCDMM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000273608643 942996060 /nfs/dbraw/zinc/99/60/60/942996060.db2.gz VASUQMVNVKBFSF-STQMWFEESA-N -1 1 367.405 3.641 20 10 FHCDMM Cc1nc([C@H]2CCCCN2Cc2cc(C)cc(Br)c2[O-])no1 ZINC000781902187 944010527 /nfs/dbraw/zinc/01/05/27/944010527.db2.gz ODQJHGSUATTXNJ-CQSZACIVSA-N -1 1 366.259 3.882 20 10 FHCDMM O=C(NCCc1cccc(C(F)(F)F)n1)NCc1cccc(Cl)c1[O-] ZINC000895044132 946926343 /nfs/dbraw/zinc/92/63/43/946926343.db2.gz OIBPWQVFHOUZPE-UHFFFAOYSA-N -1 1 373.762 3.501 20 10 FHCDMM O=C([O-])[C@H]1CC12CC[NH+](Cc1c3c(ccc1[O-])oc1c3CCCC1)CC2 ZINC000739531118 600279809 /nfs/dbraw/zinc/27/98/09/600279809.db2.gz DKTFOQFIJFMATD-OAHLLOKOSA-N -1 1 355.434 3.704 20 10 FHCDMM C[C@H](CN(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)[O-] ZINC000736573890 600369817 /nfs/dbraw/zinc/36/98/17/600369817.db2.gz YDGQQROPRJTOJY-CQSZACIVSA-N -1 1 354.410 3.693 20 10 FHCDMM CC[N@H+](Cc1cc(C)c(C(=O)[O-])o1)Cc1cc(Br)ccc1[O-] ZINC000829718974 600856982 /nfs/dbraw/zinc/85/69/82/600856982.db2.gz TYJCPSOCQMFVHL-UHFFFAOYSA-N -1 1 368.227 3.776 20 10 FHCDMM CC[N@@H+](Cc1cc(C)c(C(=O)[O-])o1)Cc1cc(Br)ccc1[O-] ZINC000829718974 600856984 /nfs/dbraw/zinc/85/69/84/600856984.db2.gz TYJCPSOCQMFVHL-UHFFFAOYSA-N -1 1 368.227 3.776 20 10 FHCDMM C[C@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000828442176 601538410 /nfs/dbraw/zinc/53/84/10/601538410.db2.gz XTTGZBBZZSIDIE-KBXCAEBGSA-N -1 1 366.421 3.693 20 10 FHCDMM C[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694595 604675942 /nfs/dbraw/zinc/67/59/42/604675942.db2.gz OGMYCWDWYUDUJN-OAHLLOKOSA-N -1 1 359.731 3.721 20 10 FHCDMM C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694595 604675945 /nfs/dbraw/zinc/67/59/45/604675945.db2.gz OGMYCWDWYUDUJN-OAHLLOKOSA-N -1 1 359.731 3.721 20 10 FHCDMM COc1ccc(O)c([C@H](C)NCc2coc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC000833733800 605220887 /nfs/dbraw/zinc/22/08/87/605220887.db2.gz QQARHUPPHHEFQF-LBPRGKRZSA-N -1 1 368.389 3.605 20 10 FHCDMM O=C(CSc1nnc(CCC2CCCCC2)o1)c1ccc([O-])c(O)c1 ZINC000066257526 940365699 /nfs/dbraw/zinc/36/56/99/940365699.db2.gz SDWMHEPIOWZYBP-UHFFFAOYSA-N -1 1 362.451 3.969 20 10 FHCDMM CC(C)c1ccc(SCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783016784 941717744 /nfs/dbraw/zinc/71/77/44/941717744.db2.gz YPEFLAAQIOAETN-UHFFFAOYSA-N -1 1 360.431 3.739 20 10 FHCDMM COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000364310458 944284391 /nfs/dbraw/zinc/28/43/91/944284391.db2.gz UPPUPMBMBPMZCZ-LLVKDONJSA-N -1 1 359.813 3.955 20 10 FHCDMM C[C@@H](N[C@H](C)c1cc(Br)cc(Cl)c1[O-])c1ccn(C)n1 ZINC000840815265 946711033 /nfs/dbraw/zinc/71/10/33/946711033.db2.gz DDHIBXNZVKEWLJ-RKDXNWHRSA-N -1 1 358.667 3.953 20 10 FHCDMM O=C([O-])[C@H]1CC12CC[NH+](Cc1cc3oc4ccccc4c3cc1[O-])CC2 ZINC000739533094 600280157 /nfs/dbraw/zinc/28/01/57/600280157.db2.gz ULCRWNMXPAUJCY-MRXNPFEDSA-N -1 1 351.402 3.978 20 10 FHCDMM CC[N@H+](Cc1cc(C(=O)[O-])c(C)o1)Cc1cc(Br)ccc1[O-] ZINC000829718677 600856726 /nfs/dbraw/zinc/85/67/26/600856726.db2.gz NAYUAEZHIRDDDA-UHFFFAOYSA-N -1 1 368.227 3.776 20 10 FHCDMM CC[N@@H+](Cc1cc(C(=O)[O-])c(C)o1)Cc1cc(Br)ccc1[O-] ZINC000829718677 600856728 /nfs/dbraw/zinc/85/67/28/600856728.db2.gz NAYUAEZHIRDDDA-UHFFFAOYSA-N -1 1 368.227 3.776 20 10 FHCDMM CC[N@H+](Cc1cc(C(=O)[O-])oc1C)Cc1cc(Br)ccc1[O-] ZINC000829719014 600856936 /nfs/dbraw/zinc/85/69/36/600856936.db2.gz WATNTECVODHKTL-UHFFFAOYSA-N -1 1 368.227 3.776 20 10 FHCDMM CC[N@@H+](Cc1cc(C(=O)[O-])oc1C)Cc1cc(Br)ccc1[O-] ZINC000829719014 600856937 /nfs/dbraw/zinc/85/69/37/600856937.db2.gz WATNTECVODHKTL-UHFFFAOYSA-N -1 1 368.227 3.776 20 10 FHCDMM C[C@@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828442177 601538255 /nfs/dbraw/zinc/53/82/55/601538255.db2.gz XTTGZBBZZSIDIE-KDOFPFPSSA-N -1 1 366.421 3.693 20 10 FHCDMM CC[N@H+](Cc1ccccn1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000176798776 938444208 /nfs/dbraw/zinc/44/42/08/938444208.db2.gz UXMBNTOAWOOQKR-UHFFFAOYSA-N -1 1 362.429 3.746 20 10 FHCDMM CC[N@@H+](Cc1ccccn1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000176798776 938444209 /nfs/dbraw/zinc/44/42/09/938444209.db2.gz UXMBNTOAWOOQKR-UHFFFAOYSA-N -1 1 362.429 3.746 20 10 FHCDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(N(CC)CC)cc2)[n-]c1=O ZINC000588610554 938935706 /nfs/dbraw/zinc/93/57/06/938935706.db2.gz QLHVULOSVCPGPO-OWBHPGMISA-N -1 1 355.438 3.766 20 10 FHCDMM CCCN(CCC)c1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000728696898 941666919 /nfs/dbraw/zinc/66/69/19/941666919.db2.gz APMWQQNUJRSBLP-CAPFRKAQSA-N -1 1 363.461 3.774 20 10 FHCDMM CO[C@]1(C(F)(F)F)CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000781986300 947574449 /nfs/dbraw/zinc/57/44/49/947574449.db2.gz URXDTESJWKQRFA-OAHLLOKOSA-N -1 1 365.779 3.792 20 10 FHCDMM O=C([O-])[C@@H]1CC12CC[NH+](Cc1cc3oc4ccccc4c3cc1[O-])CC2 ZINC000739533092 600280153 /nfs/dbraw/zinc/28/01/53/600280153.db2.gz ULCRWNMXPAUJCY-INIZCTEOSA-N -1 1 351.402 3.978 20 10 FHCDMM COc1ccc(O)c([C@H](C)N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833733545 605389859 /nfs/dbraw/zinc/38/98/59/605389859.db2.gz JVPXDJWLMQPGSD-XXFAHNHDSA-N -1 1 353.777 3.670 20 10 FHCDMM CC(C)Oc1ccc(NCc2cccc(Cl)c2[O-])cc1-c1nn[nH]n1 ZINC000824329853 609492114 /nfs/dbraw/zinc/49/21/14/609492114.db2.gz XGOCGPJQBHNTBL-UHFFFAOYSA-N -1 1 359.817 3.625 20 10 FHCDMM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784956494 929494332 /nfs/dbraw/zinc/49/43/32/929494332.db2.gz UPSJOPUAJZMURI-DZGCQCFKSA-N -1 1 354.402 3.813 20 10 FHCDMM CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccncc1 ZINC000277743963 935874401 /nfs/dbraw/zinc/87/44/01/935874401.db2.gz MMTBKWKONYSAFN-CQSZACIVSA-N -1 1 364.243 3.500 20 10 FHCDMM Cc1nc([C@@H]2CCCCN2Cc2cc(C)cc(Br)c2[O-])no1 ZINC000781902186 944010677 /nfs/dbraw/zinc/01/06/77/944010677.db2.gz ODQJHGSUATTXNJ-AWEZNQCLSA-N -1 1 366.259 3.882 20 10 FHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000192155213 944292788 /nfs/dbraw/zinc/29/27/88/944292788.db2.gz UHHXEFPYMYGJLE-UHFFFAOYSA-N -1 1 363.382 3.934 20 10 FHCDMM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cccc2nsnc21 ZINC000019107788 567848294 /nfs/dbraw/zinc/84/82/94/567848294.db2.gz GKIYTTNTQYUIBV-UHFFFAOYSA-N -1 1 360.247 3.799 20 10 FHCDMM O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1Cl ZINC000833169041 600747217 /nfs/dbraw/zinc/74/72/17/600747217.db2.gz COPXOQJBQZIONG-MRXNPFEDSA-N -1 1 352.217 3.844 20 10 FHCDMM CN(C(=O)[O-])C1CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000737938539 602528353 /nfs/dbraw/zinc/52/83/53/602528353.db2.gz ZOUNTHKWRWHCIA-UHFFFAOYSA-N -1 1 354.406 3.866 20 10 FHCDMM CCOC(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048795499 935710045 /nfs/dbraw/zinc/71/00/45/935710045.db2.gz VERAQMYPPUBZMI-UHFFFAOYSA-N -1 1 350.212 3.944 20 10 FHCDMM CC(C)(C)OC1CC(CCNC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000894445297 945654957 /nfs/dbraw/zinc/65/49/57/945654957.db2.gz JDEYURCYYTYCIR-UHFFFAOYSA-N -1 1 354.878 3.829 20 10 FHCDMM C[C@@H](N[C@@H](C)c1ccn(C)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000840815262 946711077 /nfs/dbraw/zinc/71/10/77/946711077.db2.gz DDHIBXNZVKEWLJ-BDAKNGLRSA-N -1 1 358.667 3.953 20 10 FHCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])[C@@H]1OCCc2sccc21 ZINC000895035656 946897101 /nfs/dbraw/zinc/89/71/01/946897101.db2.gz WAOOYQDVJNIRSH-QFYYESIMSA-N -1 1 366.870 3.609 20 10 FHCDMM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nnc2n1CCCCC2 ZINC000319914128 948792171 /nfs/dbraw/zinc/79/21/71/948792171.db2.gz DKYIQJAZWJEZDW-JTQLQIEISA-N -1 1 355.269 3.868 20 10 FHCDMM CC[N@H+](Cc1ccsc1C(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000829718730 601837935 /nfs/dbraw/zinc/83/79/35/601837935.db2.gz PZHAMJANCGQNPO-UHFFFAOYSA-N -1 1 370.268 3.937 20 10 FHCDMM CC[N@@H+](Cc1ccsc1C(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000829718730 601837937 /nfs/dbraw/zinc/83/79/37/601837937.db2.gz PZHAMJANCGQNPO-UHFFFAOYSA-N -1 1 370.268 3.937 20 10 FHCDMM CC[C@H](NCc1nn(C)cc1Br)c1cccc(Cl)c1[O-] ZINC000834883808 932174017 /nfs/dbraw/zinc/17/40/17/932174017.db2.gz HROPKOALBRSNES-LBPRGKRZSA-N -1 1 358.667 3.783 20 10 FHCDMM CC[C@@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1nnc2n1CCCCC2 ZINC000276978176 934209072 /nfs/dbraw/zinc/20/90/72/934209072.db2.gz VJYIKQVGXXDKOE-SMDDNHRTSA-N -1 1 350.413 3.790 20 10 FHCDMM CC(=O)c1cc(F)cc(C[NH2+][C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1[O-] ZINC000833401581 605184735 /nfs/dbraw/zinc/18/47/35/605184735.db2.gz XXVUXNPRQQSJFI-GOSISDBHSA-N -1 1 359.397 3.676 20 10 FHCDMM CC1(C)CN(Cc2cc(Cl)cc(Br)c2[O-])[C@@H]2COC[C@@H]21 ZINC000708210815 937162943 /nfs/dbraw/zinc/16/29/43/937162943.db2.gz HWRHCMDZMNDFJH-WCQYABFASA-N -1 1 360.679 3.665 20 10 FHCDMM CC[C@H](N[C@H](C)c1ccc(F)c(F)c1[O-])c1nnc2n1CCCCC2 ZINC000276978173 934208882 /nfs/dbraw/zinc/20/88/82/934208882.db2.gz VJYIKQVGXXDKOE-RISCZKNCSA-N -1 1 350.413 3.790 20 10 FHCDMM Cc1nc(CCCC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000277511104 935390935 /nfs/dbraw/zinc/39/09/35/935390935.db2.gz KXTXDQJBWKIWCS-UHFFFAOYSA-N -1 1 369.284 3.559 20 10 FHCDMM CCCNC(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000195131103 944810161 /nfs/dbraw/zinc/81/01/61/944810161.db2.gz WXNYCXGQZDTDTG-UHFFFAOYSA-N -1 1 363.255 3.907 20 10 FHCDMM Cc1nc(-c2ccc(NCc3ccc(N(C)C)c(F)c3)nc2)[n-]c(=O)c1C ZINC000301394969 947324946 /nfs/dbraw/zinc/32/49/46/947324946.db2.gz DXCCGUBEXMEMMJ-UHFFFAOYSA-N -1 1 367.428 3.678 20 10 FHCDMM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000006339251 948403311 /nfs/dbraw/zinc/40/33/11/948403311.db2.gz HRLQGRFUUFAXGG-WDZFZDKYSA-N -1 1 370.286 3.976 20 10 FHCDMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCc1ccc(N2CCCC2)cc1 ZINC000738438117 599274747 /nfs/dbraw/zinc/27/47/47/599274747.db2.gz WVIIZUNJMHCZIN-UHFFFAOYSA-N -1 1 371.448 3.627 20 10 FHCDMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCc1ccc(N2CCCC2)cc1 ZINC000738438117 599274749 /nfs/dbraw/zinc/27/47/49/599274749.db2.gz WVIIZUNJMHCZIN-UHFFFAOYSA-N -1 1 371.448 3.627 20 10 FHCDMM O=C([O-])C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739796511 600145711 /nfs/dbraw/zinc/14/57/11/600145711.db2.gz LYZGBNSJMCEGJK-UHFFFAOYSA-N -1 1 371.767 3.734 20 10 FHCDMM O=C([O-])C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739796511 600145713 /nfs/dbraw/zinc/14/57/13/600145713.db2.gz LYZGBNSJMCEGJK-UHFFFAOYSA-N -1 1 371.767 3.734 20 10 FHCDMM O=C([O-])CC[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])C1CCOCC1 ZINC000833233138 600720468 /nfs/dbraw/zinc/72/04/68/600720468.db2.gz CSHLYBCGHUBJOZ-UHFFFAOYSA-N -1 1 369.417 3.747 20 10 FHCDMM CC[N@H+](Cc1cccc(C(=O)[O-])c1)Cc1cc(Br)ccc1[O-] ZINC000829722776 600857143 /nfs/dbraw/zinc/85/71/43/600857143.db2.gz QFJOGFCVSDTKSO-UHFFFAOYSA-N -1 1 364.239 3.875 20 10 FHCDMM CC[N@@H+](Cc1cccc(C(=O)[O-])c1)Cc1cc(Br)ccc1[O-] ZINC000829722776 600857145 /nfs/dbraw/zinc/85/71/45/600857145.db2.gz QFJOGFCVSDTKSO-UHFFFAOYSA-N -1 1 364.239 3.875 20 10 FHCDMM C[C@](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)(C(=O)[O-])C1CC1 ZINC000827727306 601032064 /nfs/dbraw/zinc/03/20/64/601032064.db2.gz ILFDLONIGIGKHR-HXUWFJFHSA-N -1 1 366.421 3.883 20 10 FHCDMM C[C@@](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)(C(=O)[O-])C1CC1 ZINC000827727305 601032070 /nfs/dbraw/zinc/03/20/70/601032070.db2.gz ILFDLONIGIGKHR-FQEVSTJZSA-N -1 1 366.421 3.883 20 10 FHCDMM O=C([O-])c1cc2ccccc2c(CN2CCO[C@H](c3ccsc3)C2)c1O ZINC000833308859 602087214 /nfs/dbraw/zinc/08/72/14/602087214.db2.gz YLQAQINKWQGAQA-SFHVURJKSA-N -1 1 369.442 3.879 20 10 FHCDMM COc1ccc(O)c([C@@H](C)NCc2coc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC000833733799 605220988 /nfs/dbraw/zinc/22/09/88/605220988.db2.gz QQARHUPPHHEFQF-GFCCVEGCSA-N -1 1 368.389 3.605 20 10 FHCDMM COCC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CCCC1 ZINC000728199891 928063757 /nfs/dbraw/zinc/06/37/57/928063757.db2.gz YWIQNBUOXYTDFP-UHFFFAOYSA-N -1 1 369.461 3.720 20 10 FHCDMM COCC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CCCC1 ZINC000728199891 928063772 /nfs/dbraw/zinc/06/37/72/928063772.db2.gz YWIQNBUOXYTDFP-UHFFFAOYSA-N -1 1 369.461 3.720 20 10 FHCDMM Cc1noc(C)c1[C@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277391878 935070488 /nfs/dbraw/zinc/07/04/88/935070488.db2.gz APHISKJJVPEMHL-SECBINFHSA-N -1 1 367.243 3.570 20 10 FHCDMM CC(=O)Nc1cccc2c1CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C2 ZINC000177040437 939104757 /nfs/dbraw/zinc/10/47/57/939104757.db2.gz YFZBAJVVXQDCSZ-UHFFFAOYSA-N -1 1 372.852 3.765 20 10 FHCDMM CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182048276 941406791 /nfs/dbraw/zinc/40/67/91/941406791.db2.gz OZOAUCDBUKZMKK-UHFFFAOYSA-N -1 1 366.339 3.516 20 10 FHCDMM CC(=O)c1cc(F)cc(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c1O ZINC000364218495 944081900 /nfs/dbraw/zinc/08/19/00/944081900.db2.gz QUHSYOMVTKAYQE-UHFFFAOYSA-N -1 1 361.417 3.620 20 10 FHCDMM NC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1N1CCCCC1 ZINC000280976367 945485139 /nfs/dbraw/zinc/48/51/39/945485139.db2.gz KWTXJMUNWVCMRO-UHFFFAOYSA-N -1 1 359.857 3.747 20 10 FHCDMM Cc1nc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000314772814 946600620 /nfs/dbraw/zinc/60/06/20/946600620.db2.gz JWZMXDFRRZBIBA-UHFFFAOYSA-N -1 1 367.641 3.857 20 10 FHCDMM O=C([O-])NC[C@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000740630215 602311470 /nfs/dbraw/zinc/31/14/70/602311470.db2.gz HSXRJZGYEDTIGO-CYBMUJFWSA-N -1 1 354.406 3.771 20 10 FHCDMM O=C([O-])NC[C@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000740630215 602311473 /nfs/dbraw/zinc/31/14/73/602311473.db2.gz HSXRJZGYEDTIGO-CYBMUJFWSA-N -1 1 354.406 3.771 20 10 FHCDMM CC(C)[C@H]1C[C@H](CC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277565802 935590543 /nfs/dbraw/zinc/59/05/43/935590543.db2.gz PYTKDWWYHQCLCJ-IUODEOHRSA-N -1 1 370.287 3.612 20 10 FHCDMM Cc1ccc(-n2cc(C=C3SC(=S)[N-]C3=O)c(C(C)(C)C)n2)cc1 ZINC000177535646 940262724 /nfs/dbraw/zinc/26/27/24/940262724.db2.gz FTEBDEFZONRGAY-ZROIWOOFSA-N -1 1 357.504 3.967 20 10 FHCDMM COc1ccccc1-c1noc([C@H](C)NCc2cccc(Cl)c2[O-])n1 ZINC000377013752 941492888 /nfs/dbraw/zinc/49/28/88/941492888.db2.gz PPZGWVRMGKJBLB-NSHDSACASA-N -1 1 359.813 3.955 20 10 FHCDMM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783046884 941884135 /nfs/dbraw/zinc/88/41/35/941884135.db2.gz FYBIJAGZGWVUDF-ZDUSSCGKSA-N -1 1 372.417 3.589 20 10 FHCDMM CCOC(=O)C1(C(F)(F)F)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000896961977 946373483 /nfs/dbraw/zinc/37/34/83/946373483.db2.gz QFWBDUUJAJJXGZ-UHFFFAOYSA-N -1 1 365.779 3.753 20 10 FHCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])Cc1ccccc1OC(F)F ZINC000739793369 600315557 /nfs/dbraw/zinc/31/55/57/600315557.db2.gz HFLVVAUJDIRLSJ-UHFFFAOYSA-N -1 1 371.767 3.734 20 10 FHCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])Cc1ccccc1OC(F)F ZINC000739793369 600315561 /nfs/dbraw/zinc/31/55/61/600315561.db2.gz HFLVVAUJDIRLSJ-UHFFFAOYSA-N -1 1 371.767 3.734 20 10 FHCDMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000828024260 601952817 /nfs/dbraw/zinc/95/28/17/601952817.db2.gz KRTBDAUWYFNLRK-HXUWFJFHSA-N -1 1 366.421 3.837 20 10 FHCDMM CN(C(=O)[O-])C1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000737937281 602527861 /nfs/dbraw/zinc/52/78/61/602527861.db2.gz HDKOGVOPOFLMTM-UHFFFAOYSA-N -1 1 358.438 3.591 20 10 FHCDMM COc1ccc(O)c([C@H](C)N[C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833733541 605390057 /nfs/dbraw/zinc/39/00/57/605390057.db2.gz JVPXDJWLMQPGSD-FVMDXXJSSA-N -1 1 353.777 3.670 20 10 FHCDMM CC(C)(C)c1nn(Cc2ccccc2)cc1C=C1SC(=S)[N-]C1=O ZINC000160345022 930026814 /nfs/dbraw/zinc/02/68/14/930026814.db2.gz LCZJEYYIDQLBIU-NTEUORMPSA-N -1 1 357.504 3.718 20 10 FHCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CCN(c2ccccc2)CC1 ZINC000892259637 935647805 /nfs/dbraw/zinc/64/78/05/935647805.db2.gz ZCXVPNBHTLKLJH-UHFFFAOYSA-N -1 1 359.857 3.514 20 10 FHCDMM Cc1cc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)ccc1C#N ZINC000318493269 940836944 /nfs/dbraw/zinc/83/69/44/940836944.db2.gz CJRLDCSPYDEKEX-UHFFFAOYSA-N -1 1 357.218 3.680 20 10 FHCDMM Cc1sc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)nc1-c1ccccc1 ZINC000833036645 601129612 /nfs/dbraw/zinc/12/96/12/601129612.db2.gz LLUAQSGGVZHTKT-UHFFFAOYSA-N -1 1 374.443 3.618 20 10 FHCDMM COc1ccc2ccc([O-])c(C[N@H+](C3CC3)C3CCN(C(=O)[O-])CC3)c2c1 ZINC000739943135 601912600 /nfs/dbraw/zinc/91/26/00/601912600.db2.gz TXERHGOMDPJMAP-UHFFFAOYSA-N -1 1 370.449 3.661 20 10 FHCDMM COc1ccc2ccc([O-])c(C[N@@H+](C3CC3)C3CCN(C(=O)[O-])CC3)c2c1 ZINC000739943135 601912601 /nfs/dbraw/zinc/91/26/01/601912601.db2.gz TXERHGOMDPJMAP-UHFFFAOYSA-N -1 1 370.449 3.661 20 10 FHCDMM CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(NC(=O)[O-])nc1 ZINC000828359702 605495030 /nfs/dbraw/zinc/49/50/30/605495030.db2.gz DBEAYFCJIXKZRB-UHFFFAOYSA-N -1 1 354.454 3.794 20 10 FHCDMM C[C@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1ccc(F)c(F)c1[O-] ZINC000276205868 932050088 /nfs/dbraw/zinc/05/00/88/932050088.db2.gz OKWTYEJGFPCQQZ-QMMMGPOBSA-N -1 1 372.297 3.583 20 10 FHCDMM O=C1[N-]C(=S)S/C1=C/c1csc(COc2ccc(Cl)cc2)n1 ZINC000124779256 945328221 /nfs/dbraw/zinc/32/82/21/945328221.db2.gz UIDHFKFAMARROY-VZUCSPMQSA-N -1 1 368.892 3.864 20 10 FHCDMM CCn1c(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n[n-]c1=S ZINC000066636520 940755907 /nfs/dbraw/zinc/75/59/07/940755907.db2.gz TUASTLULRVHKCS-UHFFFAOYSA-N -1 1 369.494 3.607 20 10 FHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000894238196 942092398 /nfs/dbraw/zinc/09/23/98/942092398.db2.gz HRSGSBGGIKFMJM-RDJZCZTQSA-N -1 1 360.841 3.765 20 10 FHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(CO)(C(F)(F)F)CC1 ZINC000897037844 946511753 /nfs/dbraw/zinc/51/17/53/946511753.db2.gz YABFBUAKJQJKNE-UHFFFAOYSA-N -1 1 358.187 3.836 20 10 FHCDMM O=C(C[C@H](c1ccccc1)C(F)(F)F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783461362 946740536 /nfs/dbraw/zinc/74/05/36/946740536.db2.gz OXOTWJOEOPZDDG-CYBMUJFWSA-N -1 1 368.307 3.560 20 10 FHCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])Cc1cccc2cccnc21 ZINC000739793184 600144960 /nfs/dbraw/zinc/14/49/60/600144960.db2.gz BNUXMXYGMJMCEY-UHFFFAOYSA-N -1 1 356.809 3.681 20 10 FHCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])Cc1cccc2cccnc21 ZINC000739793184 600144963 /nfs/dbraw/zinc/14/49/63/600144963.db2.gz BNUXMXYGMJMCEY-UHFFFAOYSA-N -1 1 356.809 3.681 20 10 FHCDMM CC(C)(C)c1cnc(Sc2snc(Cl)c2-c2nnn[n-]2)s1 ZINC000824135178 608189853 /nfs/dbraw/zinc/18/98/53/608189853.db2.gz BQTYYQSRRQHDKP-UHFFFAOYSA-N -1 1 358.905 3.882 20 10 FHCDMM CC(C)(C)c1cnc(Sc2snc(Cl)c2-c2nn[n-]n2)s1 ZINC000824135178 608189855 /nfs/dbraw/zinc/18/98/55/608189855.db2.gz BQTYYQSRRQHDKP-UHFFFAOYSA-N -1 1 358.905 3.882 20 10 FHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCc3sccc3C2)c1[O-] ZINC000728194333 928052630 /nfs/dbraw/zinc/05/26/30/928052630.db2.gz KQTKSCOAIKIRIQ-UHFFFAOYSA-N -1 1 365.454 3.949 20 10 FHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCc3sccc3C2)c1[O-] ZINC000728194333 928052645 /nfs/dbraw/zinc/05/26/45/928052645.db2.gz KQTKSCOAIKIRIQ-UHFFFAOYSA-N -1 1 365.454 3.949 20 10 FHCDMM Nc1c(F)cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1F ZINC001210909342 930474864 /nfs/dbraw/zinc/47/48/64/930474864.db2.gz IQBUHDKXZVNLTJ-UHFFFAOYSA-N -1 1 366.323 3.772 20 10 FHCDMM CN(c1ccccc1)c1ccc(C=C2SC(=S)[N-]C2=O)cc1[N+](=O)[O-] ZINC000007155185 945307352 /nfs/dbraw/zinc/30/73/52/945307352.db2.gz SMXDASVGYVIFPW-GDNBJRDFSA-N -1 1 371.443 3.852 20 10 FHCDMM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783046881 941883446 /nfs/dbraw/zinc/88/34/46/941883446.db2.gz FYBIJAGZGWVUDF-CYBMUJFWSA-N -1 1 372.417 3.589 20 10 FHCDMM C[C@@H](NCc1nccn1CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273599662 942994353 /nfs/dbraw/zinc/99/43/53/942994353.db2.gz RQRZQMOJEFLEJI-OAHLLOKOSA-N -1 1 366.421 3.590 20 10 FHCDMM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000273608637 942996138 /nfs/dbraw/zinc/99/61/38/942996138.db2.gz VASUQMVNVKBFSF-OLZOCXBDSA-N -1 1 367.405 3.641 20 10 FHCDMM C[C@@H](CN(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)[O-] ZINC000736573889 600370186 /nfs/dbraw/zinc/37/01/86/600370186.db2.gz YDGQQROPRJTOJY-AWEZNQCLSA-N -1 1 354.410 3.693 20 10 FHCDMM C[C@@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000817872975 601537874 /nfs/dbraw/zinc/53/78/74/601537874.db2.gz XTTGZBBZZSIDIE-RDTXWAMCSA-N -1 1 366.421 3.693 20 10 FHCDMM O=C([O-])NC[C@@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000740630217 602311295 /nfs/dbraw/zinc/31/12/95/602311295.db2.gz HSXRJZGYEDTIGO-ZDUSSCGKSA-N -1 1 354.406 3.771 20 10 FHCDMM O=C([O-])NC[C@@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000740630217 602311298 /nfs/dbraw/zinc/31/12/98/602311298.db2.gz HSXRJZGYEDTIGO-ZDUSSCGKSA-N -1 1 354.406 3.771 20 10 FHCDMM O=C([O-])CCC[N@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000833226785 604765807 /nfs/dbraw/zinc/76/58/07/604765807.db2.gz HJRKOJDVRQSVNZ-UHFFFAOYSA-N -1 1 350.418 3.807 20 10 FHCDMM O=C([O-])CCC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21 ZINC000833226785 604765809 /nfs/dbraw/zinc/76/58/09/604765809.db2.gz HJRKOJDVRQSVNZ-UHFFFAOYSA-N -1 1 350.418 3.807 20 10 FHCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(Cl)cc1F ZINC000784903295 927256663 /nfs/dbraw/zinc/25/66/63/927256663.db2.gz DITNCVHMHFGLGY-UHFFFAOYSA-N -1 1 366.772 3.594 20 10 FHCDMM Cc1cc(C)cc(-c2nnc(SCC(=O)c3ccc([O-])c(O)c3)o2)c1 ZINC000022237138 930389147 /nfs/dbraw/zinc/38/91/47/930389147.db2.gz TVRWJXPCWOIBEV-UHFFFAOYSA-N -1 1 356.403 3.740 20 10 FHCDMM C[C@@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1ccc(F)c(F)c1[O-] ZINC000276205867 932050621 /nfs/dbraw/zinc/05/06/21/932050621.db2.gz OKWTYEJGFPCQQZ-MRVPVSSYSA-N -1 1 372.297 3.583 20 10 FHCDMM CC(C)[C@H]1C[C@@H](CC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277565807 935590672 /nfs/dbraw/zinc/59/06/72/935590672.db2.gz PYTKDWWYHQCLCJ-SWLSCSKDSA-N -1 1 370.287 3.612 20 10 FHCDMM O=C(CSc1nnc(-c2cc3ccccc3o2)o1)c1ccc([O-])c(O)c1 ZINC000176801522 938448773 /nfs/dbraw/zinc/44/87/73/938448773.db2.gz XOEIFXGVXNTSEA-UHFFFAOYSA-N -1 1 368.370 3.869 20 10 FHCDMM COc1cccc([C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2ccccn2)c1 ZINC000364192592 944030418 /nfs/dbraw/zinc/03/04/18/944030418.db2.gz ZXNLNYFZLYNCPD-HXUWFJFHSA-N -1 1 365.389 3.583 20 10 FHCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])[C@H]1OCCc2sccc21 ZINC000895035655 946897387 /nfs/dbraw/zinc/89/73/87/946897387.db2.gz WAOOYQDVJNIRSH-MGPLVRAMSA-N -1 1 366.870 3.609 20 10 FHCDMM CC[C@@]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])(C(=O)[O-])c1ccccc1 ZINC000828989308 601417890 /nfs/dbraw/zinc/41/78/90/601417890.db2.gz WSPQBWZTHDHWQJ-IBGZPJMESA-N -1 1 361.825 3.728 20 10 FHCDMM CC[N@H+](Cc1ccc(C(=O)[O-])s1)Cc1cc(Br)ccc1[O-] ZINC000829718109 601962404 /nfs/dbraw/zinc/96/24/04/601962404.db2.gz CUWVGODEXAUKSV-UHFFFAOYSA-N -1 1 370.268 3.937 20 10 FHCDMM CC[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1cc(Br)ccc1[O-] ZINC000829718109 601962406 /nfs/dbraw/zinc/96/24/06/601962406.db2.gz CUWVGODEXAUKSV-UHFFFAOYSA-N -1 1 370.268 3.937 20 10 FHCDMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1cccs1 ZINC000007334595 928024526 /nfs/dbraw/zinc/02/45/26/928024526.db2.gz ATSFWSVKDBBOER-ZSOIEALJSA-N -1 1 363.485 3.825 20 10 FHCDMM Cc1ccc(C)n1-c1ccsc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000728202444 928226857 /nfs/dbraw/zinc/22/68/57/928226857.db2.gz BJQUZEMJCNWHNI-UHFFFAOYSA-N -1 1 355.345 3.545 20 10 FHCDMM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784956593 929593494 /nfs/dbraw/zinc/59/34/94/929593494.db2.gz UPSJOPUAJZMURI-ZFWWWQNUSA-N -1 1 354.402 3.813 20 10 FHCDMM C[C@@H](O)c1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC001210648129 930146628 /nfs/dbraw/zinc/14/66/28/930146628.db2.gz XPZQAVVZQNMEIA-GFCCVEGCSA-N -1 1 359.381 3.965 20 10 FHCDMM CC[C@@H](NCc1nn(C)cc1Br)c1cccc(Cl)c1[O-] ZINC000834883807 932174401 /nfs/dbraw/zinc/17/44/01/932174401.db2.gz HROPKOALBRSNES-GFCCVEGCSA-N -1 1 358.667 3.783 20 10 FHCDMM C[C@H](N[C@@H](C)c1cc(Br)cc(Cl)c1[O-])c1ccn(C)n1 ZINC000840815264 946710614 /nfs/dbraw/zinc/71/06/14/946710614.db2.gz DDHIBXNZVKEWLJ-IUCAKERBSA-N -1 1 358.667 3.953 20 10 FHCDMM CCn1ccc(CN[C@@H](C)c2cc(Br)cc(Cl)c2[O-])n1 ZINC000840840191 946920212 /nfs/dbraw/zinc/92/02/12/946920212.db2.gz HHBYKRUAXVYLIB-VIFPVBQESA-N -1 1 358.667 3.875 20 10 FHCDMM CC[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(Br)ccc1[O-] ZINC000829718415 600856759 /nfs/dbraw/zinc/85/67/59/600856759.db2.gz KMRGQBGKLRPBQI-UHFFFAOYSA-N -1 1 364.239 3.875 20 10 FHCDMM CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(Br)ccc1[O-] ZINC000829718415 600856760 /nfs/dbraw/zinc/85/67/60/600856760.db2.gz KMRGQBGKLRPBQI-UHFFFAOYSA-N -1 1 364.239 3.875 20 10 FHCDMM CC(C)(C)c1cnc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)s1 ZINC000819966013 607118349 /nfs/dbraw/zinc/11/83/49/607118349.db2.gz SFNLSPUCQRRAFE-UHFFFAOYSA-N -1 1 352.876 3.820 20 10 FHCDMM CC(C)(C)c1cnc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)s1 ZINC000819966013 607118351 /nfs/dbraw/zinc/11/83/51/607118351.db2.gz SFNLSPUCQRRAFE-UHFFFAOYSA-N -1 1 352.876 3.820 20 10 FHCDMM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784956572 929512194 /nfs/dbraw/zinc/51/21/94/929512194.db2.gz UPSJOPUAJZMURI-HIFRSBDPSA-N -1 1 354.402 3.813 20 10 FHCDMM C[C@H](O)c1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC001210648132 930146981 /nfs/dbraw/zinc/14/69/81/930146981.db2.gz XPZQAVVZQNMEIA-LBPRGKRZSA-N -1 1 359.381 3.965 20 10 FHCDMM C[C@H](NCc1nnc(C2CC2)s1)c1cc(Br)c(F)cc1[O-] ZINC000840892392 946612221 /nfs/dbraw/zinc/61/22/21/946612221.db2.gz ZEJKWJOHVIJNAB-ZETCQYMHSA-N -1 1 372.263 3.874 20 10 FHCDMM CC(=O)c1cc(F)cc(C[N@H+](CCCC(=O)[O-])Cc2ccccc2)c1[O-] ZINC000825946681 604785806 /nfs/dbraw/zinc/78/58/06/604785806.db2.gz LBFGOYPJTPCWDC-UHFFFAOYSA-N -1 1 359.397 3.601 20 10 FHCDMM CC(=O)c1cc(F)cc(C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)c1[O-] ZINC000825946681 604785809 /nfs/dbraw/zinc/78/58/09/604785809.db2.gz LBFGOYPJTPCWDC-UHFFFAOYSA-N -1 1 359.397 3.601 20 10 FHCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2nc3ccccc3n2C)c1[O-] ZINC000177195333 940012585 /nfs/dbraw/zinc/01/25/85/940012585.db2.gz PXINWYVMGOLBJB-UHFFFAOYSA-N -1 1 357.841 3.767 20 10 FHCDMM O=C(CCc1ccc2ccccc2c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783084004 942338155 /nfs/dbraw/zinc/33/81/55/942338155.db2.gz FUHUYHBVJNGRKT-UHFFFAOYSA-N -1 1 350.370 3.610 20 10 FHCDMM C[C@@H](N[C@@H](C)c1cc(Br)cc(Cl)c1[O-])c1ccn(C)n1 ZINC000840815263 946710563 /nfs/dbraw/zinc/71/05/63/946710563.db2.gz DDHIBXNZVKEWLJ-DTWKUNHWSA-N -1 1 358.667 3.953 20 10 FHCDMM C[C@@H](c1cc(Cl)c(Cl)cc1[O-])N1CCc2sc(C[NH3+])nc2C1 ZINC000925750426 947164559 /nfs/dbraw/zinc/16/45/59/947164559.db2.gz FISJRIGHVFQZJF-QMMMGPOBSA-N -1 1 358.294 3.734 20 10 FHCDMM CC[C@@](C)(NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)[O-] ZINC000736864742 600561565 /nfs/dbraw/zinc/56/15/65/600561565.db2.gz WVALRKYFLZFLRC-LJQANCHMSA-N -1 1 354.410 3.883 20 10 FHCDMM O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000739656953 600706733 /nfs/dbraw/zinc/70/67/33/600706733.db2.gz ACHWHXOGPPOFHD-ZDUSSCGKSA-N -1 1 357.431 3.684 20 10 FHCDMM O=C([O-])C[C@H]1CSCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000739656953 600706735 /nfs/dbraw/zinc/70/67/35/600706735.db2.gz ACHWHXOGPPOFHD-ZDUSSCGKSA-N -1 1 357.431 3.684 20 10 FHCDMM O=C([O-])c1cc2ccccc2c(CN2CCOC[C@H]2c2ccccc2)c1O ZINC000833307330 600718544 /nfs/dbraw/zinc/71/85/44/600718544.db2.gz IHVSYWLWUZZSGT-FQEVSTJZSA-N -1 1 363.413 3.817 20 10 FHCDMM CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833694930 605830988 /nfs/dbraw/zinc/83/09/88/605830988.db2.gz FOKNTRZGGKFJOG-UHFFFAOYSA-N -1 1 374.868 3.507 20 10 FHCDMM CC(=O)c1cc(Cl)cc(CN2CCN([C@H](C)c3cccnc3)CC2)c1[O-] ZINC000177180120 939997890 /nfs/dbraw/zinc/99/78/90/939997890.db2.gz AAIFYDWLZSVLIC-CQSZACIVSA-N -1 1 373.884 3.522 20 10 FHCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2c(C)cccc2C)c1[O-] ZINC000177246231 940050704 /nfs/dbraw/zinc/05/07/04/940050704.db2.gz OCCLYGOCLSUZAD-UHFFFAOYSA-N -1 1 374.868 3.936 20 10 FHCDMM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1cccc2nsnc21 ZINC000019107855 947451944 /nfs/dbraw/zinc/45/19/44/947451944.db2.gz ONMFTZDTDPCFET-UHFFFAOYSA-N -1 1 360.247 3.799 20 10 FHCDMM CO[C@@]1(C(F)(F)F)CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000781986299 947578134 /nfs/dbraw/zinc/57/81/34/947578134.db2.gz URXDTESJWKQRFA-HNNXBMFYSA-N -1 1 365.779 3.792 20 10 FHCDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 ZINC000738347979 600049984 /nfs/dbraw/zinc/04/99/84/600049984.db2.gz VMDBQECJHHBPJV-UHFFFAOYSA-N -1 1 374.443 3.618 20 10 FHCDMM O=C([O-])[C@@H]1CC12CC[NH+](Cc1c3c(ccc1[O-])oc1c3CCCC1)CC2 ZINC000739531114 600280047 /nfs/dbraw/zinc/28/00/47/600280047.db2.gz DKTFOQFIJFMATD-HNNXBMFYSA-N -1 1 355.434 3.704 20 10 FHCDMM O=C(NCc1cccc(Cl)c1[O-])NCC1(c2ccccc2)CCOCC1 ZINC000892027202 934857277 /nfs/dbraw/zinc/85/72/77/934857277.db2.gz AMYLUHLYEWXSFZ-UHFFFAOYSA-N -1 1 374.868 3.593 20 10 FHCDMM O=[N+]([O-])c1cc(Cl)cc(CNC2(c3nccs3)CCCC2)c1[O-] ZINC000116374239 935928595 /nfs/dbraw/zinc/92/85/95/935928595.db2.gz AIZVHRVCPSKUJQ-UHFFFAOYSA-N -1 1 353.831 3.969 20 10 FHCDMM Cc1nnc(SCC(=O)c2ccc([O-])c(O)c2)n1[C@@H]1CCC[C@H](C)C1 ZINC000127313959 938263779 /nfs/dbraw/zinc/26/37/79/938263779.db2.gz PIVJUQYEMMMJLX-SMDDNHRTSA-N -1 1 361.467 3.724 20 10 FHCDMM Cc1ccc(C)n1-c1ccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000066640602 940777690 /nfs/dbraw/zinc/77/76/90/940777690.db2.gz INIQJHKJFZMXBN-UHFFFAOYSA-N -1 1 369.494 3.859 20 10 FHCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CCC(O)(c2ccccc2)CC1 ZINC000894209621 941716674 /nfs/dbraw/zinc/71/66/74/941716674.db2.gz SXCXTCMNSVXUFX-UHFFFAOYSA-N -1 1 374.868 3.675 20 10 FHCDMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000894247065 942482706 /nfs/dbraw/zinc/48/27/06/942482706.db2.gz COSHJXQJUVIMJE-LLVKDONJSA-N -1 1 364.877 3.866 20 10 FHCDMM Clc1ccc(NCc2ccc(N3CCCCC3)cc2)nc1-c1nnn[n-]1 ZINC000737573326 598578176 /nfs/dbraw/zinc/57/81/76/598578176.db2.gz GAPGKYPWUXUHRP-UHFFFAOYSA-N -1 1 369.860 3.518 20 10 FHCDMM Clc1ccc(NCc2ccc(N3CCCCC3)cc2)nc1-c1nn[n-]n1 ZINC000737573326 598578177 /nfs/dbraw/zinc/57/81/77/598578177.db2.gz GAPGKYPWUXUHRP-UHFFFAOYSA-N -1 1 369.860 3.518 20 10 FHCDMM O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1)Cc1c([O-])ccc2ccncc21 ZINC000739720400 600281052 /nfs/dbraw/zinc/28/10/52/600281052.db2.gz XBTUGWYQQXNECZ-UHFFFAOYSA-N -1 1 372.371 3.696 20 10 FHCDMM O=C([O-])CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1c([O-])ccc2ccncc21 ZINC000739720400 600281054 /nfs/dbraw/zinc/28/10/54/600281054.db2.gz XBTUGWYQQXNECZ-UHFFFAOYSA-N -1 1 372.371 3.696 20 10 FHCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000276446245 932441535 /nfs/dbraw/zinc/44/15/35/932441535.db2.gz AJQPBAWSLPLMDK-UHFFFAOYSA-N -1 1 354.381 3.738 20 10 FHCDMM CC(=O)[C@H](C)CCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277420449 935140692 /nfs/dbraw/zinc/14/06/92/935140692.db2.gz CXPDEXGNIAXCDR-LLVKDONJSA-N -1 1 356.260 3.556 20 10 FHCDMM CC[C@@H](NCc1nnc2n1CCCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000158103891 938478754 /nfs/dbraw/zinc/47/87/54/938478754.db2.gz ZPVDFBYNYBACIM-GFCCVEGCSA-N -1 1 355.269 3.868 20 10 FHCDMM COc1cc(O)ccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001213097628 939088627 /nfs/dbraw/zinc/08/86/27/939088627.db2.gz SHNCPRVPNANCGY-UHFFFAOYSA-N -1 1 361.353 3.625 20 10 FHCDMM O=C([O-])C[N@H+](Cc1cccc(OC(F)F)c1)Cc1cc(Cl)ccc1[O-] ZINC000739796524 600315594 /nfs/dbraw/zinc/31/55/94/600315594.db2.gz PNXNCUKUSSGBIT-UHFFFAOYSA-N -1 1 371.767 3.734 20 10 FHCDMM O=C([O-])C[N@@H+](Cc1cccc(OC(F)F)c1)Cc1cc(Cl)ccc1[O-] ZINC000739796524 600315596 /nfs/dbraw/zinc/31/55/96/600315596.db2.gz PNXNCUKUSSGBIT-UHFFFAOYSA-N -1 1 371.767 3.734 20 10 FHCDMM C[C@H](C[N@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21)C(=O)[O-] ZINC000736582503 601089162 /nfs/dbraw/zinc/08/91/62/601089162.db2.gz IQESUFZOVNQXDT-OAHLLOKOSA-N -1 1 350.418 3.663 20 10 FHCDMM C[C@H](C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21)C(=O)[O-] ZINC000736582503 601089164 /nfs/dbraw/zinc/08/91/64/601089164.db2.gz IQESUFZOVNQXDT-OAHLLOKOSA-N -1 1 350.418 3.663 20 10 FHCDMM CC(C)(C)c1cnc(Sc2c3ccccc3nnc2-c2nn[n-]n2)s1 ZINC000819965295 607118259 /nfs/dbraw/zinc/11/82/59/607118259.db2.gz AHLTVXREXJORRZ-UHFFFAOYSA-N -1 1 369.479 3.715 20 10 FHCDMM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784956582 929594207 /nfs/dbraw/zinc/59/42/07/929594207.db2.gz UPSJOPUAJZMURI-UKRRQHHQSA-N -1 1 354.402 3.813 20 10 FHCDMM Cc1nc(-c2ccc(NCCCSc3nccs3)nc2)[n-]c(=O)c1C ZINC000301755872 945951590 /nfs/dbraw/zinc/95/15/90/945951590.db2.gz DFKJMZJUUHRJQI-UHFFFAOYSA-N -1 1 373.507 3.912 20 10 FHCDMM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1Cl ZINC000151874647 946202076 /nfs/dbraw/zinc/20/20/76/946202076.db2.gz NZUDZIPYBMYGNN-UHFFFAOYSA-N -1 1 362.234 3.817 20 10 FHCDMM O=C([O-])c1cc2ccccc2c(CN2CCOC[C@@H]2c2ccccc2)c1O ZINC000833307331 600718651 /nfs/dbraw/zinc/71/86/51/600718651.db2.gz IHVSYWLWUZZSGT-HXUWFJFHSA-N -1 1 363.413 3.817 20 10 FHCDMM CN(C[C@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1)C(=O)[O-] ZINC000739666652 602525350 /nfs/dbraw/zinc/52/53/50/602525350.db2.gz SVNUTCNNSGPKMC-CYBMUJFWSA-N -1 1 354.406 3.723 20 10 FHCDMM CN(C[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1)C(=O)[O-] ZINC000739666652 602525352 /nfs/dbraw/zinc/52/53/52/602525352.db2.gz SVNUTCNNSGPKMC-CYBMUJFWSA-N -1 1 354.406 3.723 20 10 FHCDMM CC(C)[C@@H]1C[C@H](CC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277565800 935590569 /nfs/dbraw/zinc/59/05/69/935590569.db2.gz PYTKDWWYHQCLCJ-DOMZBBRYSA-N -1 1 370.287 3.612 20 10 FHCDMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)cc(C(F)(F)F)c1 ZINC000179367521 939112676 /nfs/dbraw/zinc/11/26/76/939112676.db2.gz UFMSYNSCKFTEKU-BAQGIRSFSA-N -1 1 368.199 3.957 20 10 FHCDMM CC(C)c1ccc2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)[nH]c2c1 ZINC000782696789 940494116 /nfs/dbraw/zinc/49/41/16/940494116.db2.gz FYDFYJPLHPPLQP-UHFFFAOYSA-N -1 1 353.374 3.742 20 10 FHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000894238195 942092155 /nfs/dbraw/zinc/09/21/55/942092155.db2.gz HRSGSBGGIKFMJM-NVXWUHKLSA-N -1 1 360.841 3.765 20 10 FHCDMM O=C1CSc2ccc(NCc3cccc(Br)c3[O-])cc2N1 ZINC000048796369 944585177 /nfs/dbraw/zinc/58/51/77/944585177.db2.gz PGRVKNIIXWZJCE-UHFFFAOYSA-N -1 1 365.252 3.811 20 10 FHCDMM O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783461364 946741268 /nfs/dbraw/zinc/74/12/68/946741268.db2.gz OXOTWJOEOPZDDG-ZDUSSCGKSA-N -1 1 368.307 3.560 20 10 FHCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])Cc1ccc(F)c2cccnc12 ZINC000739793330 600145064 /nfs/dbraw/zinc/14/50/64/600145064.db2.gz FUBZEPJQWLFTJN-UHFFFAOYSA-N -1 1 374.799 3.820 20 10 FHCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])Cc1ccc(F)c2cccnc12 ZINC000739793330 600145066 /nfs/dbraw/zinc/14/50/66/600145066.db2.gz FUBZEPJQWLFTJN-UHFFFAOYSA-N -1 1 374.799 3.820 20 10 FHCDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)c[nH]1 ZINC000751259690 600670424 /nfs/dbraw/zinc/67/04/24/600670424.db2.gz BZOCYBRTHDVXQJ-UHFFFAOYSA-N -1 1 370.390 3.929 20 10 FHCDMM O=C([O-])Nc1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000834268989 605607074 /nfs/dbraw/zinc/60/70/74/605607074.db2.gz OHKVRZKRJIWLMR-SFHVURJKSA-N -1 1 356.422 3.663 20 10 FHCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(OC(F)F)c(Br)c1 ZINC000254968733 928585968 /nfs/dbraw/zinc/58/59/68/928585968.db2.gz YFEUPJDNMMJTIO-YWEYNIOJSA-N -1 1 366.208 3.539 20 10 FHCDMM O=C(COC(=O)c1c(Cl)cc(F)cc1Cl)c1ccc([O-])c(O)c1 ZINC000784992935 929994319 /nfs/dbraw/zinc/99/43/19/929994319.db2.gz PXXXCEQRSMKLIG-UHFFFAOYSA-N -1 1 359.136 3.583 20 10 FHCDMM COc1ccccc1-c1noc([C@@H](C)NCc2cccc(Cl)c2[O-])n1 ZINC000377013751 941492957 /nfs/dbraw/zinc/49/29/57/941492957.db2.gz PPZGWVRMGKJBLB-LLVKDONJSA-N -1 1 359.813 3.955 20 10 FHCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000781908449 944106376 /nfs/dbraw/zinc/10/63/76/944106376.db2.gz MVMOGBSLBXLEEQ-CQSZACIVSA-N -1 1 370.287 3.769 20 10 FHCDMM COCCOc1ccccc1NCc1cccc(Br)c1[O-] ZINC000123186742 944288089 /nfs/dbraw/zinc/28/80/89/944288089.db2.gz FIDPCXPKMZJJLA-UHFFFAOYSA-N -1 1 352.228 3.792 20 10 FHCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])[C@H]1OCCc2sccc21 ZINC000895035657 946897615 /nfs/dbraw/zinc/89/76/15/946897615.db2.gz WAOOYQDVJNIRSH-QLJPJBMISA-N -1 1 366.870 3.609 20 10 FHCDMM COc1ccc(N(Cc2ccc(-c3nnn[n-]3)o2)Cc2ccccc2)cc1 ZINC000821828067 607442861 /nfs/dbraw/zinc/44/28/61/607442861.db2.gz PDZLOUTZFVVXDL-UHFFFAOYSA-N -1 1 361.405 3.675 20 10 FHCDMM COc1ccc(N(Cc2ccc(-c3nn[n-]n3)o2)Cc2ccccc2)cc1 ZINC000821828067 607442863 /nfs/dbraw/zinc/44/28/63/607442863.db2.gz PDZLOUTZFVVXDL-UHFFFAOYSA-N -1 1 361.405 3.675 20 10 FHCDMM C[C@@H](C[N@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21)C(=O)[O-] ZINC000736582502 601088654 /nfs/dbraw/zinc/08/86/54/601088654.db2.gz IQESUFZOVNQXDT-HNNXBMFYSA-N -1 1 350.418 3.663 20 10 FHCDMM C[C@@H](C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2ccncc21)C(=O)[O-] ZINC000736582502 601088657 /nfs/dbraw/zinc/08/86/57/601088657.db2.gz IQESUFZOVNQXDT-HNNXBMFYSA-N -1 1 350.418 3.663 20 10 FHCDMM O=C([O-])NCC1CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000740640922 602311266 /nfs/dbraw/zinc/31/12/66/602311266.db2.gz BVYOIQVBLDWQGP-UHFFFAOYSA-N -1 1 354.406 3.771 20 10 FHCDMM CS(=O)(=O)C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000154949070 929544701 /nfs/dbraw/zinc/54/47/01/929544701.db2.gz MZNBKPZLRVQRDM-OAHLLOKOSA-N -1 1 374.289 3.575 20 10 FHCDMM C[C@H](NCc1nccn1CCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273599660 942994627 /nfs/dbraw/zinc/99/46/27/942994627.db2.gz RQRZQMOJEFLEJI-HNNXBMFYSA-N -1 1 366.421 3.590 20 10 FHCDMM C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1nnc2n1CCCCC2 ZINC000319914133 948791744 /nfs/dbraw/zinc/79/17/44/948791744.db2.gz DKYIQJAZWJEZDW-SNVBAGLBSA-N -1 1 355.269 3.868 20 10 FHCDMM O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000739656945 600705076 /nfs/dbraw/zinc/70/50/76/600705076.db2.gz ACHWHXOGPPOFHD-CYBMUJFWSA-N -1 1 357.431 3.684 20 10 FHCDMM O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000739656945 600705078 /nfs/dbraw/zinc/70/50/78/600705078.db2.gz ACHWHXOGPPOFHD-CYBMUJFWSA-N -1 1 357.431 3.684 20 10 FHCDMM C[C@H]1CN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828442178 601538341 /nfs/dbraw/zinc/53/83/41/601538341.db2.gz XTTGZBBZZSIDIE-KSSFIOAISA-N -1 1 366.421 3.693 20 10 FHCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1cc(F)cc(Cl)c1 ZINC000755427438 938377441 /nfs/dbraw/zinc/37/74/41/938377441.db2.gz PQDRRSGIGPUETA-UHFFFAOYSA-N -1 1 354.834 3.880 20 10 FHCDMM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000273608640 942996125 /nfs/dbraw/zinc/99/61/25/942996125.db2.gz VASUQMVNVKBFSF-QWHCGFSZSA-N -1 1 367.405 3.641 20 10 FHCDMM CCS(=O)(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048796059 944593499 /nfs/dbraw/zinc/59/34/99/944593499.db2.gz UMXINBQDQNXVAM-UHFFFAOYSA-N -1 1 370.268 3.560 20 10 FHCDMM C[C@@H](NCc1nnc(C2CC2)s1)c1cc(Br)c(F)cc1[O-] ZINC000840892391 946612300 /nfs/dbraw/zinc/61/23/00/946612300.db2.gz ZEJKWJOHVIJNAB-SSDOTTSWSA-N -1 1 372.263 3.874 20 10 FHCDMM CC(=O)[C@@H](C)CCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277420451 935140823 /nfs/dbraw/zinc/14/08/23/935140823.db2.gz CXPDEXGNIAXCDR-NSHDSACASA-N -1 1 356.260 3.556 20 10 FHCDMM C[C@@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000364800841 945115592 /nfs/dbraw/zinc/11/55/92/945115592.db2.gz XFTZAJDREPJRPP-ZMZPIMSZSA-N -1 1 361.367 3.983 20 10 FHCDMM CC(=O)c1cc(Cl)cc(CN2CCN([C@@H](C)c3cccnc3)CC2)c1[O-] ZINC000177180103 939997731 /nfs/dbraw/zinc/99/77/31/939997731.db2.gz AAIFYDWLZSVLIC-AWEZNQCLSA-N -1 1 373.884 3.522 20 10 FHCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2cccc(C)c2C)c1[O-] ZINC000177246483 940050798 /nfs/dbraw/zinc/05/07/98/940050798.db2.gz ADTRKBKFKKKXMJ-UHFFFAOYSA-N -1 1 374.868 3.936 20 10 FHCDMM CC[C@]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])(C(=O)[O-])c1ccccc1 ZINC000828989309 601417822 /nfs/dbraw/zinc/41/78/22/601417822.db2.gz WSPQBWZTHDHWQJ-LJQANCHMSA-N -1 1 361.825 3.728 20 10 FHCDMM C[C@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000828024259 601953296 /nfs/dbraw/zinc/95/32/96/601953296.db2.gz KRTBDAUWYFNLRK-FQEVSTJZSA-N -1 1 366.421 3.837 20 10 FHCDMM Cc1ccc(-c2nnc(SCC(=O)c3ccc([O-])c(O)c3)o2)c(C)c1 ZINC000066260891 940374694 /nfs/dbraw/zinc/37/46/94/940374694.db2.gz LXFWYDOQUQUFIP-UHFFFAOYSA-N -1 1 356.403 3.740 20 10 FHCDMM COc1cccc(-c2nn(C(C)(C)C)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000178000828 940503519 /nfs/dbraw/zinc/50/35/19/940503519.db2.gz ZTGPHPPPGFNQJR-ZROIWOOFSA-N -1 1 373.503 3.803 20 10 FHCDMM O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738175691 598979205 /nfs/dbraw/zinc/97/92/05/598979205.db2.gz ZXNJDYRJDJZUQB-UHFFFAOYSA-N -1 1 370.376 3.929 20 10 FHCDMM O=C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738175691 598979207 /nfs/dbraw/zinc/97/92/07/598979207.db2.gz ZXNJDYRJDJZUQB-UHFFFAOYSA-N -1 1 370.376 3.929 20 10 FHCDMM O=C([O-])c1cc2ccccc2c(CN2CCO[C@@H](c3ccsc3)C2)c1O ZINC000833308858 602087311 /nfs/dbraw/zinc/08/73/11/602087311.db2.gz YLQAQINKWQGAQA-GOSISDBHSA-N -1 1 369.442 3.879 20 10 FHCDMM C[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@H]1NC(=O)[O-] ZINC000739179148 603399196 /nfs/dbraw/zinc/39/91/96/603399196.db2.gz AACKUMFVVRZKHX-MLGOLLRUSA-N -1 1 354.406 3.770 20 10 FHCDMM C[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@H]1NC(=O)[O-] ZINC000739179148 603399200 /nfs/dbraw/zinc/39/92/00/603399200.db2.gz AACKUMFVVRZKHX-MLGOLLRUSA-N -1 1 354.406 3.770 20 10 FHCDMM CC(C)(C)c1cc(O)c(O)c(CN2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833450312 604795931 /nfs/dbraw/zinc/79/59/31/604795931.db2.gz OEDXBOBRHBZHQI-UHFFFAOYSA-N -1 1 355.434 3.652 20 10 FHCDMM COc1ccc(O)c([C@@H](C)N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833733543 605389960 /nfs/dbraw/zinc/38/99/60/605389960.db2.gz JVPXDJWLMQPGSD-JDNHERCYSA-N -1 1 353.777 3.670 20 10 FHCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C(C1CC1)C1CC1 ZINC000728198269 928064248 /nfs/dbraw/zinc/06/42/48/928064248.db2.gz LRKOREBASXTLAE-UHFFFAOYSA-N -1 1 351.446 3.949 20 10 FHCDMM CCOc1cncc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1 ZINC001210665222 930166081 /nfs/dbraw/zinc/16/60/81/930166081.db2.gz MNFOVBHCCRDCPV-UHFFFAOYSA-N -1 1 360.369 3.705 20 10 FHCDMM CCS(=O)(=O)c1ccccc1NCc1cccc(Br)c1[O-] ZINC000048796764 935710067 /nfs/dbraw/zinc/71/00/67/935710067.db2.gz IHURDUVKAYHXPZ-UHFFFAOYSA-N -1 1 370.268 3.560 20 10 FHCDMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c(C)c1F ZINC000782927086 941291476 /nfs/dbraw/zinc/29/14/76/941291476.db2.gz SINZYGNDSDMBKA-UHFFFAOYSA-N -1 1 364.442 3.544 20 10 FHCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])[C@@H]1OCCc2sccc21 ZINC000895035654 946897823 /nfs/dbraw/zinc/89/78/23/946897823.db2.gz WAOOYQDVJNIRSH-HWPZZCPQSA-N -1 1 366.870 3.609 20 10 FHCDMM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301393754 947324811 /nfs/dbraw/zinc/32/48/11/947324811.db2.gz JRLUHKXNGYEAGZ-UHFFFAOYSA-N -1 1 363.465 3.848 20 10 FHCDMM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000007740632 948080209 /nfs/dbraw/zinc/08/02/09/948080209.db2.gz YXMXTLBZLAMKIT-QPEQYQDCSA-N -1 1 363.895 3.690 20 10 FHCDMM CN(C[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1)C(=O)[O-] ZINC000739666655 602525270 /nfs/dbraw/zinc/52/52/70/602525270.db2.gz SVNUTCNNSGPKMC-ZDUSSCGKSA-N -1 1 354.406 3.723 20 10 FHCDMM CN(C[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1)C(=O)[O-] ZINC000739666655 602525272 /nfs/dbraw/zinc/52/52/72/602525272.db2.gz SVNUTCNNSGPKMC-ZDUSSCGKSA-N -1 1 354.406 3.723 20 10 FHCDMM C[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@H]1NC(=O)[O-] ZINC000739179134 603398561 /nfs/dbraw/zinc/39/85/61/603398561.db2.gz AACKUMFVVRZKHX-BLLLJJGKSA-N -1 1 354.406 3.770 20 10 FHCDMM C[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])CC[C@H]1NC(=O)[O-] ZINC000739179134 603398564 /nfs/dbraw/zinc/39/85/64/603398564.db2.gz AACKUMFVVRZKHX-BLLLJJGKSA-N -1 1 354.406 3.770 20 10 FHCDMM COc1ccc(O)c([C@@H](C)N[C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833733539 605389992 /nfs/dbraw/zinc/38/99/92/605389992.db2.gz JVPXDJWLMQPGSD-ABKXIKBNSA-N -1 1 353.777 3.670 20 10 FHCDMM Cc1cc(Br)c([O-])c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588407256 931831827 /nfs/dbraw/zinc/83/18/27/931831827.db2.gz MHOZMBNAUDPBRL-HYXAFXHYSA-N -1 1 364.195 3.526 20 10 FHCDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(N(CC)CC)c(F)c2)[n-]c1=O ZINC000588610553 938935718 /nfs/dbraw/zinc/93/57/18/938935718.db2.gz OCDVNHWZMFOIFA-RAXLEYEMSA-N -1 1 373.428 3.905 20 10 FHCDMM Cc1oc(C)c(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)c1C(=O)[O-] ZINC000832898085 601493456 /nfs/dbraw/zinc/49/34/56/601493456.db2.gz CJSRWXXXXRVCCT-UHFFFAOYSA-N -1 1 367.423 3.533 20 10 FHCDMM CC(C)[C@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)[O-] ZINC000827091783 601822643 /nfs/dbraw/zinc/82/26/43/601822643.db2.gz CSMABBJNWKRONQ-SFHVURJKSA-N -1 1 354.410 3.739 20 10 FHCDMM CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1[O-] ZINC000833401582 605184492 /nfs/dbraw/zinc/18/44/92/605184492.db2.gz XXVUXNPRQQSJFI-SFHVURJKSA-N -1 1 359.397 3.676 20 10 FHCDMM CC[C@@H](N[C@H](C)c1ccc(F)c(F)c1[O-])c1nnc2n1CCCCC2 ZINC000276978167 934208978 /nfs/dbraw/zinc/20/89/78/934208978.db2.gz VJYIKQVGXXDKOE-BXUZGUMPSA-N -1 1 350.413 3.790 20 10 FHCDMM Cc1noc(C)c1[C@@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277391881 935070588 /nfs/dbraw/zinc/07/05/88/935070588.db2.gz APHISKJJVPEMHL-VIFPVBQESA-N -1 1 367.243 3.570 20 10 FHCDMM CC(C)[C@@H]1C[C@@H](CC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277565810 935590734 /nfs/dbraw/zinc/59/07/34/935590734.db2.gz PYTKDWWYHQCLCJ-WFASDCNBSA-N -1 1 370.287 3.612 20 10 FHCDMM CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccncc1 ZINC000277743960 935874351 /nfs/dbraw/zinc/87/43/51/935874351.db2.gz MMTBKWKONYSAFN-AWEZNQCLSA-N -1 1 364.243 3.500 20 10 FHCDMM Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cs2)cc1 ZINC000782600981 939933755 /nfs/dbraw/zinc/93/37/55/939933755.db2.gz XBPLLWOMALVVBB-UHFFFAOYSA-N -1 1 369.398 3.569 20 10 FHCDMM CN(C)c1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000180336960 942354787 /nfs/dbraw/zinc/35/47/87/942354787.db2.gz SVYSSHMYNQNSPD-UHFFFAOYSA-N -1 1 352.356 3.749 20 10 FHCDMM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000273608634 942996047 /nfs/dbraw/zinc/99/60/47/942996047.db2.gz VASUQMVNVKBFSF-CHWSQXEVSA-N -1 1 367.405 3.641 20 10 FHCDMM O=C(NCCc1cc(C(F)(F)F)ccn1)NCc1cccc(Cl)c1[O-] ZINC000895049746 947185866 /nfs/dbraw/zinc/18/58/66/947185866.db2.gz VWLGWEDJFDMNTF-UHFFFAOYSA-N -1 1 373.762 3.501 20 10 FHCDMM Cc1cc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c2ccccc2n1 ZINC000738381708 600208418 /nfs/dbraw/zinc/20/84/18/600208418.db2.gz CVQHCZWIEBKFAL-UHFFFAOYSA-N -1 1 370.836 3.989 20 10 FHCDMM Cc1cc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c2ccccc2n1 ZINC000738381708 600208419 /nfs/dbraw/zinc/20/84/19/600208419.db2.gz CVQHCZWIEBKFAL-UHFFFAOYSA-N -1 1 370.836 3.989 20 10 FHCDMM