smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1C ZINC001448027079 1103830235 /nfs/dbraw/zinc/83/02/35/1103830235.db2.gz SRZQDZUABRVAML-WDEREUQCSA-N -1 3 326.418 2.024 10 10 EECEHM CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC001454823437 1107721631 /nfs/dbraw/zinc/72/16/31/1107721631.db2.gz VOBUUUPRNKPHCQ-XYPYZODXSA-N -1 3 336.388 2.131 10 10 EECEHM COc1cc2c(cc1OC)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000370032081 466765243 /nfs/dbraw/zinc/76/52/43/466765243.db2.gz JHSYLJYAWPDVAY-UHFFFAOYSA-N -1 3 343.379 2.356 10 10 EECEHM CN(Cc1cc(Br)ccc1[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000769468085 577578636 /nfs/dbraw/zinc/57/86/36/577578636.db2.gz ADUKAQNEZGQSGK-JTQLQIEISA-N -1 3 348.262 2.021 10 10 EECEHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000322019817 690562784 /nfs/dbraw/zinc/56/27/84/690562784.db2.gz QMKBZIOIYMKDIP-UHFFFAOYSA-N -1 3 335.381 2.217 10 10 EECEHM COCc1ccc([C@H]2COCCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000928519353 1206394774 /nfs/dbraw/zinc/39/47/74/1206394774.db2.gz UWZQABUWRGAWPX-CYBMUJFWSA-N -1 3 333.340 2.051 10 10 EECEHM CC1(C)CC(=O)NCCN1Cc1cccc(Br)c1[O-] ZINC001332012383 1335705755 /nfs/dbraw/zinc/70/57/55/1335705755.db2.gz RSUPOIICBLKPPG-UHFFFAOYSA-N -1 3 327.222 2.255 10 10 EECEHM O=C(c1cc2cc(O)c(O)cc2s1)N1CCc2c(=O)[n-]cnc2C1 ZINC001625147431 1352441319 /nfs/dbraw/zinc/44/13/19/1352441319.db2.gz CEQMOWGOGSGKAF-UHFFFAOYSA-N -1 3 343.364 2.007 10 10 EECEHM COC(=O)CN(Cc1cnn2c1CCC2)Cc1cc(Cl)ccc1[O-] ZINC000824767969 788295128 /nfs/dbraw/zinc/29/51/28/788295128.db2.gz CPKZJVJEIRASCE-UHFFFAOYSA-N -1 3 349.818 2.364 10 10 EECEHM COc1ccc(-n2cc(C(=O)NCc3c([O-])cccc3F)nn2)cc1 ZINC001471975722 1110537064 /nfs/dbraw/zinc/53/70/64/1110537064.db2.gz FCEXGYXSHKWRDD-UHFFFAOYSA-N -1 3 342.330 2.051 10 10 EECEHM O=C([N-]c1c2nonc2ccc1Cl)c1ccc2c(n1)OCCO2 ZINC001543805797 1124135187 /nfs/dbraw/zinc/13/51/87/1124135187.db2.gz MWEHMQOVHHQDBL-UHFFFAOYSA-N -1 3 332.703 2.295 10 10 EECEHM C[C@H](O)[C@H](NCc1cc(F)ccc1[O-])C(=O)OCc1ccccc1 ZINC000293947019 464427073 /nfs/dbraw/zinc/42/70/73/464427073.db2.gz ORUWAWBPOUOJST-SJCJKPOMSA-N -1 3 333.359 2.114 10 10 EECEHM C[C@@H]1[C@H](NC(=O)c2cccc(O)c2[O-])CC(=O)N1Cc1ccccc1 ZINC000366846366 465970504 /nfs/dbraw/zinc/97/05/04/465970504.db2.gz BLWCUGOZXXTOHX-IUODEOHRSA-N -1 3 340.379 2.017 10 10 EECEHM Cc1cc(Cl)cc(CN2CCN(Cc3cnn(C)c3)CC2)c1[O-] ZINC000775679182 577442681 /nfs/dbraw/zinc/44/26/81/577442681.db2.gz PVBXRUMZQDYKKJ-UHFFFAOYSA-N -1 3 334.851 2.405 10 10 EECEHM C[C@H](N[C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(F)cc1[O-] ZINC000757658114 577861994 /nfs/dbraw/zinc/86/19/94/577861994.db2.gz VAIHZKNQPNODPL-SWLSCSKDSA-N -1 3 346.406 2.107 10 10 EECEHM COCn1nc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2Cl)c1C ZINC000849307929 1339151832 /nfs/dbraw/zinc/15/18/32/1339151832.db2.gz AZGITAHBQKHVRA-UHFFFAOYSA-N -1 3 345.808 2.264 10 10 EECEHM COC(=O)c1ccc2c(c1)CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001593620973 1349871011 /nfs/dbraw/zinc/87/10/11/1349871011.db2.gz ICIXQAZNPKUEIS-UHFFFAOYSA-N -1 3 327.336 2.083 10 10 EECEHM COc1ccc(C(=O)[N-]C(=O)C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC001644183672 1352759509 /nfs/dbraw/zinc/75/95/09/1352759509.db2.gz QAOWKFFKUCAKHF-LBPRGKRZSA-N -1 3 328.368 2.008 10 10 EECEHM Cc1cc(C(=O)COC(=O)c2cnn[n-]2)c(C)n1-c1ccc(F)cc1 ZINC000805604735 783640667 /nfs/dbraw/zinc/64/06/67/783640667.db2.gz QCAOITGVLWORHM-UHFFFAOYSA-N -1 3 342.330 2.391 10 10 EECEHM Cc1cc(C(=O)COC(=O)c2c[n-]nn2)c(C)n1-c1ccc(F)cc1 ZINC000805604735 783640673 /nfs/dbraw/zinc/64/06/73/783640673.db2.gz QCAOITGVLWORHM-UHFFFAOYSA-N -1 3 342.330 2.391 10 10 EECEHM CCn1nc2c(cc1=O)CN(Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000816516974 784091670 /nfs/dbraw/zinc/09/16/70/784091670.db2.gz ZAIRHQHBQRNAPT-UHFFFAOYSA-N -1 3 337.782 2.320 10 10 EECEHM O=S(=O)([N-]Cc1ccccc1O)c1cccnc1C(F)(F)F ZINC000805009939 811118244 /nfs/dbraw/zinc/11/82/44/811118244.db2.gz ZAPVCUVLIRUTBX-UHFFFAOYSA-N -1 3 332.303 2.285 10 10 EECEHM CC[C@H](O)CN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000123463054 463344149 /nfs/dbraw/zinc/34/41/49/463344149.db2.gz JYPPKMMJOZVBQS-AWEZNQCLSA-N -1 3 343.265 2.043 10 10 EECEHM COc1ccc(C[C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1OC ZINC000280703594 464236188 /nfs/dbraw/zinc/23/61/88/464236188.db2.gz SGVYXMSQINQONI-LLVKDONJSA-N -1 3 331.368 2.476 10 10 EECEHM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000372884413 466628469 /nfs/dbraw/zinc/62/84/69/466628469.db2.gz GEAAYRMHAIMQCJ-LLVKDONJSA-N -1 3 338.429 2.168 10 10 EECEHM CCN1CCN([C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C2)CC1 ZINC000191330477 529151230 /nfs/dbraw/zinc/15/12/30/529151230.db2.gz BOEXHKUTQPSWKJ-CYBMUJFWSA-N -1 3 341.858 2.397 10 10 EECEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(N3CCCCC3)cc2)c1 ZINC000747255949 577941887 /nfs/dbraw/zinc/94/18/87/577941887.db2.gz YEDFUMHZOOQBAO-UHFFFAOYSA-N -1 3 348.472 2.372 10 10 EECEHM COC[C@H]1CN(Cc2c([O-])c(C(=O)OC)cc3ccccc32)CCO1 ZINC000742157338 578128165 /nfs/dbraw/zinc/12/81/65/578128165.db2.gz KRKUCJXQMOJGSP-CQSZACIVSA-N -1 3 345.395 2.179 10 10 EECEHM Cc1cc(=O)cc(C)n1CCCC(=O)NCc1c([O-])cccc1F ZINC000928706794 1206413443 /nfs/dbraw/zinc/41/34/43/1206413443.db2.gz VETAFCHWKSDLGI-UHFFFAOYSA-N -1 3 332.375 2.406 10 10 EECEHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928711220 1206413914 /nfs/dbraw/zinc/41/39/14/1206413914.db2.gz IGZALOGEHFJNRM-LBPRGKRZSA-N -1 3 336.407 2.432 10 10 EECEHM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1c([O-])cccc1F ZINC001643209816 1352742400 /nfs/dbraw/zinc/74/24/00/1352742400.db2.gz GOHOBLBYTJJGSF-UHFFFAOYSA-N -1 3 340.332 2.455 10 10 EECEHM COCCOCCN1CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000846117910 790055789 /nfs/dbraw/zinc/05/57/89/790055789.db2.gz SKNCRWJBDIGNRN-UHFFFAOYSA-N -1 3 342.867 2.135 10 10 EECEHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000193174200 237371970 /nfs/dbraw/zinc/37/19/70/237371970.db2.gz XGPVRNSVFQIFNT-CQSZACIVSA-N -1 3 346.770 2.065 10 10 EECEHM O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc([O-])cs1 ZINC000732257856 577164167 /nfs/dbraw/zinc/16/41/67/577164167.db2.gz GGHDHPJLQAHVJO-UHFFFAOYSA-N -1 3 332.425 2.216 10 10 EECEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000928712660 1206414064 /nfs/dbraw/zinc/41/40/64/1206414064.db2.gz VIOPVRKUJFGOIS-CQSZACIVSA-N -1 3 346.358 2.435 10 10 EECEHM O=C(C[C@H](O)C(Cl)(Cl)Cl)NCc1c([O-])cccc1F ZINC000928710702 1206414074 /nfs/dbraw/zinc/41/40/74/1206414074.db2.gz WAJRAJUIAPXTBH-VIFPVBQESA-N -1 3 330.570 2.269 10 10 EECEHM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928711180 1206414077 /nfs/dbraw/zinc/41/40/77/1206414077.db2.gz GLGRADWXQHSGCV-OLZOCXBDSA-N -1 3 336.407 2.432 10 10 EECEHM COC(=O)CN(CCO[C@H]1CC1(F)F)Cc1cc(Cl)ccc1[O-] ZINC000851840427 1291876140 /nfs/dbraw/zinc/87/61/40/1291876140.db2.gz GQOGFIWHIGUUTC-ZDUSSCGKSA-N -1 3 349.761 2.445 10 10 EECEHM COC(=O)c1n[nH]c2c1CN(Cc1c([O-])cc(C)cc1Cl)CC2 ZINC000840950701 1315443953 /nfs/dbraw/zinc/44/39/53/1315443953.db2.gz MWUJLTIGXMWMPQ-UHFFFAOYSA-N -1 3 335.791 2.422 10 10 EECEHM O=C(NC1(c2noc(C(F)F)n2)CCC1)c1cccc(O)c1[O-] ZINC000816926272 784384041 /nfs/dbraw/zinc/38/40/41/784384041.db2.gz PZNPVKPQMKMSJB-UHFFFAOYSA-N -1 3 325.271 2.228 10 10 EECEHM O=C(c1cccc(O)c1[O-])N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC001136645324 787458779 /nfs/dbraw/zinc/45/87/79/787458779.db2.gz DGCWRIBFBUNWGV-AWEZNQCLSA-N -1 3 328.368 2.314 10 10 EECEHM COc1cc(Br)cc([C@@H]2NC(=O)[C@@H]3CCCCN23)c1[O-] ZINC000071967751 202365216 /nfs/dbraw/zinc/36/52/16/202365216.db2.gz KUDDFZMZRHUJMS-GXFFZTMASA-N -1 3 341.205 2.146 10 10 EECEHM Cc1ccc(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)c([O-])c1O ZINC000182617584 464695011 /nfs/dbraw/zinc/69/50/11/464695011.db2.gz YUUALWGOYCSKKH-LBPRGKRZSA-N -1 3 338.367 2.478 10 10 EECEHM Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)c([O-])c1O ZINC000376269298 466902446 /nfs/dbraw/zinc/90/24/46/466902446.db2.gz HOAAQOZZQJGNQH-LLVKDONJSA-N -1 3 330.388 2.215 10 10 EECEHM Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c([O-])c1O ZINC000373745084 466908324 /nfs/dbraw/zinc/90/83/24/466908324.db2.gz PEXZGJXHHKPTSZ-LXIYXOSZSA-N -1 3 335.400 2.205 10 10 EECEHM CN1CCC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764790248 577488592 /nfs/dbraw/zinc/48/85/92/577488592.db2.gz ITFXRJYWBFGNMR-LLVKDONJSA-N -1 3 342.237 2.048 10 10 EECEHM CN(Cc1cccc(Br)c1[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000769468111 577578605 /nfs/dbraw/zinc/57/86/05/577578605.db2.gz AGNDCCURBDYFJO-SNVBAGLBSA-N -1 3 348.262 2.021 10 10 EECEHM C[C@H](N[C@H]1CCCNC1=O)c1cc(Br)c(F)cc1[O-] ZINC000756511413 577845432 /nfs/dbraw/zinc/84/54/32/577845432.db2.gz XDIPRSQRKXSYMK-CPCISQLKSA-N -1 3 331.185 2.223 10 10 EECEHM CNC(=O)[C@@H]1CCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781903032 679286683 /nfs/dbraw/zinc/28/66/83/679286683.db2.gz WJMILXGWOLQRKW-LBPRGKRZSA-N -1 3 327.222 2.174 10 10 EECEHM COc1ccc([C@@]2(C(=O)NCc3c([O-])cccc3F)C[C@@H](O)C2)cc1 ZINC000928713071 1206414351 /nfs/dbraw/zinc/41/43/51/1206414351.db2.gz ZUYXKZRYXHGGIT-HJGJAMNPSA-N -1 3 345.370 2.249 10 10 EECEHM COc1ccc(N2CC[C@H](NC(=O)c3c([O-])cccc3O)C2)cc1 ZINC000857302426 1293787307 /nfs/dbraw/zinc/78/73/07/1293787307.db2.gz QSSZKBAPQGHAOI-LBPRGKRZSA-N -1 3 328.368 2.115 10 10 EECEHM COC(=O)c1cccc2c1CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001160831051 1320283330 /nfs/dbraw/zinc/28/33/30/1320283330.db2.gz ISNFOBYCKHYDHH-UHFFFAOYSA-N -1 3 327.336 2.083 10 10 EECEHM CCOCc1nc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)no1 ZINC001681647862 1358049091 /nfs/dbraw/zinc/04/90/91/1358049091.db2.gz XDBBQMKKOPBCKJ-SECBINFHSA-N -1 3 338.339 2.011 10 10 EECEHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1(C)CCCC1 ZINC000787855560 807288033 /nfs/dbraw/zinc/28/80/33/807288033.db2.gz CJBXSAHOHNKPQF-UHFFFAOYSA-N -1 3 326.418 2.168 10 10 EECEHM CN1CCN(Cc2cc(Br)c3cccnc3c2[O-])CC1 ZINC000022459107 202085640 /nfs/dbraw/zinc/08/56/40/202085640.db2.gz AAHVIUIFESQSED-UHFFFAOYSA-N -1 3 336.233 2.450 10 10 EECEHM NC(=O)[C@@H](NCc1cc(Br)ccc1[O-])c1ccccc1 ZINC000069777997 203048891 /nfs/dbraw/zinc/04/88/91/203048891.db2.gz OKUOLTRYDVAXBW-AWEZNQCLSA-N -1 3 335.201 2.471 10 10 EECEHM Cc1cc(N2CCC[C@H](N[C@@H](C)c3ccc(F)cc3[O-])C2=O)n(C)n1 ZINC000186327610 463977959 /nfs/dbraw/zinc/97/79/59/463977959.db2.gz HWBBFWHKCDAOMX-WFASDCNBSA-N -1 3 346.406 2.419 10 10 EECEHM COc1cc(Cl)cc(CN2CCN(c3cc(C)[nH]n3)CC2)c1[O-] ZINC000189015302 464415652 /nfs/dbraw/zinc/41/56/52/464415652.db2.gz CCQUYGWSMKIJOV-UHFFFAOYSA-N -1 3 336.823 2.408 10 10 EECEHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](Cn3cncn3)C2)c1[O-] ZINC000175661179 464597019 /nfs/dbraw/zinc/59/70/19/464597019.db2.gz HEVBAGSCIOHRBF-CYBMUJFWSA-N -1 3 332.379 2.238 10 10 EECEHM CC(C)c1nnc2n1CCN(Cc1cc3c(cc1[O-])OCO3)[C@@H]2C ZINC000190224392 464609732 /nfs/dbraw/zinc/60/97/32/464609732.db2.gz XSUUXJSKAICBJE-LLVKDONJSA-N -1 3 330.388 2.413 10 10 EECEHM COc1cc(Cl)cc(CN2Cc3ccccc3C[C@@H]2C(N)=O)c1[O-] ZINC000184675143 465017039 /nfs/dbraw/zinc/01/70/39/465017039.db2.gz QDOJIJBMBWCDOL-OAHLLOKOSA-N -1 3 346.814 2.466 10 10 EECEHM CC(C)(C)n1nnnc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000766815773 577525230 /nfs/dbraw/zinc/52/52/30/577525230.db2.gz YGYJHMWJVQHYAQ-OAHLLOKOSA-N -1 3 345.447 2.315 10 10 EECEHM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1ccc(C2=S=CC=C2)o1 ZINC001584090518 1348720479 /nfs/dbraw/zinc/72/04/79/1348720479.db2.gz PNACXJYTNDKTAG-UHFFFAOYSA-N -1 3 337.364 2.338 10 10 EECEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000921545639 789157183 /nfs/dbraw/zinc/15/71/83/789157183.db2.gz UQINAMDYBYYTHP-ZBEGNZNMSA-N -1 3 340.420 2.385 10 10 EECEHM Cn1cc(C(=O)NCc2c([O-])cccc2F)c(-c2cccnc2)n1 ZINC001178413523 799467701 /nfs/dbraw/zinc/46/77/01/799467701.db2.gz UFBAZPYPFQFOAL-UHFFFAOYSA-N -1 3 326.331 2.257 10 10 EECEHM CC[C@@H](O)CN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000123463261 463343586 /nfs/dbraw/zinc/34/35/86/463343586.db2.gz JYPPKMMJOZVBQS-CQSZACIVSA-N -1 3 343.265 2.043 10 10 EECEHM Cc1ccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c([O-])c1O ZINC000187662086 464148647 /nfs/dbraw/zinc/14/86/47/464148647.db2.gz SYTFFDOWWJCDKB-JSGCOSHPSA-N -1 3 333.409 2.316 10 10 EECEHM [O-]c1ccc(F)cc1CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000180098957 464241476 /nfs/dbraw/zinc/24/14/76/464241476.db2.gz OJCACXUUCJVJKA-IBGZPJMESA-N -1 3 330.403 2.383 10 10 EECEHM C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000294638749 464561492 /nfs/dbraw/zinc/56/14/92/464561492.db2.gz KDZJXFHNNYWWAN-DGCLKSJQSA-N -1 3 328.815 2.480 10 10 EECEHM CCN(CC(=O)OC)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000728708505 576520183 /nfs/dbraw/zinc/52/01/83/576520183.db2.gz CDAZBDIAQFTBPJ-UHFFFAOYSA-N -1 3 331.368 2.327 10 10 EECEHM COC(=O)[C@@H](CNC(=O)c1cc([O-])cs1)Cc1cccc(F)c1 ZINC000732289121 577166677 /nfs/dbraw/zinc/16/66/77/577166677.db2.gz LGVLRGPVRGZXHS-LLVKDONJSA-N -1 3 337.372 2.355 10 10 EECEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928711622 687127354 /nfs/dbraw/zinc/12/73/54/687127354.db2.gz JZGDSUZNHVTUSF-GWCFXTLKSA-N -1 3 340.420 2.095 10 10 EECEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCN(c2ncccc2F)C1 ZINC000921405725 773338914 /nfs/dbraw/zinc/33/89/14/773338914.db2.gz WZCGYTUCCJOJQJ-NSHDSACASA-N -1 3 348.353 2.144 10 10 EECEHM COCCc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1 ZINC000921452700 773383490 /nfs/dbraw/zinc/38/34/90/773383490.db2.gz WWFMHBSROPWUAP-UHFFFAOYSA-N -1 3 339.388 2.199 10 10 EECEHM O=C1OCCN1C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000824454366 788176554 /nfs/dbraw/zinc/17/65/54/788176554.db2.gz FLECJZNQWBHTEU-JTQLQIEISA-N -1 3 328.771 2.459 10 10 EECEHM C[C@@H]1C[C@H]1N1C[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O ZINC000361450378 238222609 /nfs/dbraw/zinc/22/26/09/238222609.db2.gz BFUJWUIANGTDAZ-GGZOMVNGSA-N -1 3 339.779 2.053 10 10 EECEHM [O-]c1ccc(F)cc1CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000180098943 464241243 /nfs/dbraw/zinc/24/12/43/464241243.db2.gz OJCACXUUCJVJKA-LJQANCHMSA-N -1 3 330.403 2.383 10 10 EECEHM COC(=O)CN(CCn1cc(C)cn1)Cc1cc(Cl)ccc1[O-] ZINC000732202833 577156199 /nfs/dbraw/zinc/15/61/99/577156199.db2.gz GIISYJOSTZOEIS-UHFFFAOYSA-N -1 3 337.807 2.226 10 10 EECEHM CCOCc1cc(CNC2(c3nn[n-]n3)CCCC2)ccc1OC ZINC000735408721 578152608 /nfs/dbraw/zinc/15/26/08/578152608.db2.gz WIXIOITWFDKIIT-UHFFFAOYSA-N -1 3 331.420 2.304 10 10 EECEHM CCOCc1cc(CNC2(c3nnn[n-]3)CCCC2)ccc1OC ZINC000735408721 578152609 /nfs/dbraw/zinc/15/26/09/578152609.db2.gz WIXIOITWFDKIIT-UHFFFAOYSA-N -1 3 331.420 2.304 10 10 EECEHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])[C@H](C)CN1CCO ZINC000841891609 684650928 /nfs/dbraw/zinc/65/09/28/684650928.db2.gz MOQPFNVILMTNQE-VXGBXAGGSA-N -1 3 343.265 2.042 10 10 EECEHM COC1(OC)CC2(CN(C(=O)c3cccc(O)c3[O-])[C@@H]2C(C)C)C1 ZINC000898349127 691945523 /nfs/dbraw/zinc/94/55/23/691945523.db2.gz FQNMVICIKHWFGQ-OAHLLOKOSA-N -1 3 335.400 2.348 10 10 EECEHM O=S1(=O)CCN(Cc2c([O-])ccc3ccncc32)[C@H]2CCC[C@@H]21 ZINC000840147064 1315308383 /nfs/dbraw/zinc/30/83/83/1315308383.db2.gz SMAZQMVGVGOBFA-RDJZCZTQSA-N -1 3 332.425 2.092 10 10 EECEHM O=C(NCc1ccc(O)c(O)c1)c1cc([O-])cc(Br)c1 ZINC001595595693 1349889810 /nfs/dbraw/zinc/88/98/10/1349889810.db2.gz 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O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC[C@H]1CCOC1 ZINC000761378824 577682931 /nfs/dbraw/zinc/68/29/31/577682931.db2.gz JKZCHZJFNJKADJ-NSHDSACASA-N -1 3 338.791 2.236 10 10 EECEHM O=C(NCc1c([O-])cccc1F)C1CCN(C(=O)c2ccoc2)CC1 ZINC000928711966 1206413976 /nfs/dbraw/zinc/41/39/76/1206413976.db2.gz MIXRNYRBMRLFSZ-UHFFFAOYSA-N -1 3 346.358 2.293 10 10 EECEHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC(C)(C)C1 ZINC000840538501 1315374987 /nfs/dbraw/zinc/37/49/87/1315374987.db2.gz PJKCMJFMBBULHU-UHFFFAOYSA-N -1 3 340.445 2.414 10 10 EECEHM O=C(c1cccc(O)c1[O-])N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001326560579 1334115728 /nfs/dbraw/zinc/11/57/28/1334115728.db2.gz NRFIZVRGBVZKRO-KSSFIOAISA-N -1 3 331.343 2.038 10 10 EECEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000921764962 795807717 /nfs/dbraw/zinc/80/77/17/795807717.db2.gz YKYACXAJOFIOTO-LBPRGKRZSA-N -1 3 349.406 2.264 10 10 EECEHM COc1nnc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)[n-]1 ZINC001466101890 1110429978 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O=C(NCCc1csc(N2CCCC2)n1)c1cccc(O)c1[O-] ZINC000187095981 684570286 /nfs/dbraw/zinc/57/02/86/684570286.db2.gz RPTSKVUUIXOTMU-UHFFFAOYSA-N -1 3 333.413 2.127 10 10 EECEHM CC(=O)c1cc(F)cc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1[O-] ZINC000879339899 1201009817 /nfs/dbraw/zinc/00/98/17/1201009817.db2.gz DXKOSDDCMZJRRB-GXFFZTMASA-N -1 3 335.297 2.337 10 10 EECEHM COc1ccnc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1F ZINC000827261117 1238756614 /nfs/dbraw/zinc/75/66/14/1238756614.db2.gz VJZYPTSVDZVVDW-UHFFFAOYSA-N -1 3 337.307 2.142 10 10 EECEHM COc1ccnc(N2CCN(Cc3c([O-])cc(C)cc3Cl)CC2)n1 ZINC000840910703 1315433723 /nfs/dbraw/zinc/43/37/23/1315433723.db2.gz QHFXNBPDLRGFKX-UHFFFAOYSA-N -1 3 348.834 2.475 10 10 EECEHM COc1ccc(CCS(=O)(=O)NCc2c([O-])cccc2F)cc1 ZINC000921452285 773382986 /nfs/dbraw/zinc/38/29/86/773382986.db2.gz KGQYSDVLONSSJK-UHFFFAOYSA-N -1 3 339.388 2.202 10 10 EECEHM CC(C)Oc1cc(NC(=O)c2cccc(O)c2[O-])ccc1C(N)=O ZINC000790163003 808464676 /nfs/dbraw/zinc/46/46/76/808464676.db2.gz VHKHYMMDJLGDLQ-UHFFFAOYSA-N -1 3 330.340 2.236 10 10 EECEHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@@H](c2ccccc2)OC1=O ZINC001471975742 1110537025 /nfs/dbraw/zinc/53/70/25/1110537025.db2.gz FVGIANHCLNZOPQ-WBMJQRKESA-N -1 3 329.327 2.452 10 10 EECEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC001471974387 1110537132 /nfs/dbraw/zinc/53/71/32/1110537132.db2.gz BIUNQNRZLVHKHI-LLVKDONJSA-N -1 3 332.306 2.413 10 10 EECEHM COc1cc(Br)cc([C@@H]2NC(=O)[C@H]3CCCCN32)c1[O-] ZINC000071967749 463478161 /nfs/dbraw/zinc/47/81/61/463478161.db2.gz KUDDFZMZRHUJMS-ZWNOBZJWSA-N -1 3 341.205 2.146 10 10 EECEHM Cc1ccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c([O-])c1O ZINC000277723840 463928998 /nfs/dbraw/zinc/92/89/98/463928998.db2.gz YLLLUHIXCSBQLD-ZANVPECISA-N -1 3 333.306 2.182 10 10 EECEHM CO[C@@H](C)[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000291065205 464143851 /nfs/dbraw/zinc/14/38/51/464143851.db2.gz GGEDACMWWFTEJS-ZJUUUORDSA-N -1 3 326.780 2.233 10 10 EECEHM 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CN(C)c1noc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000192994887 529817736 /nfs/dbraw/zinc/81/77/36/529817736.db2.gz QPVHJAZGRDPLDL-CQSZACIVSA-N -1 3 332.404 2.022 10 10 EECEHM COc1cccc([C@H]2CN(C(=O)c3cccc(O)c3[O-])CCO2)c1 ZINC000279768696 464147769 /nfs/dbraw/zinc/14/77/69/464147769.db2.gz GAYFAAVIHQOFKP-MRXNPFEDSA-N -1 3 329.352 2.320 10 10 EECEHM CN1CC[C@@H](NC(=O)c2cccc(O)c2[O-])[C@H]1c1ccc(F)cc1 ZINC000365790381 466939594 /nfs/dbraw/zinc/93/95/94/466939594.db2.gz SRIQLRWBIBFZOB-GDBMZVCRSA-N -1 3 330.359 2.412 10 10 EECEHM CN(C)C[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)c2ccccc2O1 ZINC000378538758 467334739 /nfs/dbraw/zinc/33/47/39/467334739.db2.gz AXJHGSOLRITHNT-KXPUMZMLSA-N -1 3 339.395 2.156 10 10 EECEHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC[C@@H]1CCOC1 ZINC000761378823 577682954 /nfs/dbraw/zinc/68/29/54/577682954.db2.gz JKZCHZJFNJKADJ-LLVKDONJSA-N -1 3 338.791 2.236 10 10 EECEHM C[C@H]1c2ccccc2CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000746694498 577932624 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CC(=O)c1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1F ZINC001665657475 1355349879 /nfs/dbraw/zinc/34/98/79/1355349879.db2.gz AZEHSDSTLCHLTB-UHFFFAOYSA-N -1 3 341.335 2.352 10 10 EECEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000067859136 773730434 /nfs/dbraw/zinc/73/04/34/773730434.db2.gz BKYYEMWDRFOTKC-UKRRQHHQSA-N -1 3 346.408 2.050 10 10 EECEHM CCOC(=O)C1(O)CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824848558 788336768 /nfs/dbraw/zinc/33/67/68/788336768.db2.gz ABZGPHCHXMPROL-UHFFFAOYSA-N -1 3 327.808 2.244 10 10 EECEHM CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001471975219 1110537150 /nfs/dbraw/zinc/53/71/50/1110537150.db2.gz UNKCFXAUJQYWML-MHWRWJLKSA-N -1 3 328.343 2.325 10 10 EECEHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000193127720 465027525 /nfs/dbraw/zinc/02/75/25/465027525.db2.gz GXYDSWUJZFUNMN-ZDUSSCGKSA-N -1 3 342.399 2.393 10 10 EECEHM CO[C@H](C)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000280005335 464180709 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COC(=O)CN(CCC(OC)OC)Cc1cc(Cl)ccc1[O-] ZINC000851840352 1291876643 /nfs/dbraw/zinc/87/66/43/1291876643.db2.gz DKCLNCDAYANXAR-UHFFFAOYSA-N -1 3 331.796 2.030 10 10 EECEHM CC[C@@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000855881020 1293352769 /nfs/dbraw/zinc/35/27/69/1293352769.db2.gz ULMLJPVGUZWVIB-OAHLLOKOSA-N -1 3 326.418 2.072 10 10 EECEHM CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(O)c1[O-] ZINC001615032480 1352322684 /nfs/dbraw/zinc/32/26/84/1352322684.db2.gz WMIYAKZJUAPOFK-GFCCVEGCSA-N -1 3 329.352 2.400 10 10 EECEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)C(=O)N1CCCC[C@@H]1C ZINC000919373649 769828790 /nfs/dbraw/zinc/82/87/90/769828790.db2.gz CPDJATFJKANSTG-RYUDHWBXSA-N -1 3 337.395 2.120 10 10 EECEHM O=S(=O)(NCc1c([O-])cccc1F)c1cccc2c1OCCC2 ZINC000921451073 773382132 /nfs/dbraw/zinc/38/21/32/773382132.db2.gz JSSRLQGBMUQIBT-UHFFFAOYSA-N -1 3 337.372 2.335 10 10 EECEHM C[C@@]1(C(=O)NCc2c([O-])cccc2F)Cc2ccccc2C(=O)O1 ZINC001178413046 799467898 /nfs/dbraw/zinc/46/78/98/799467898.db2.gz LOKSNPPNSHZCTE-SFHVURJKSA-N -1 3 329.327 2.319 10 10 EECEHM CN(C)Cc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])ccc1F ZINC000789979530 808309702 /nfs/dbraw/zinc/30/97/02/808309702.db2.gz RSALBMVOMQTYIF-UHFFFAOYSA-N -1 3 336.338 2.368 10 10 EECEHM CCn1c(C)nnc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000111232996 463672961 /nfs/dbraw/zinc/67/29/61/463672961.db2.gz BYCLTQKFZDITIQ-INIZCTEOSA-N -1 3 330.432 2.493 10 10 EECEHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000125198747 463514585 /nfs/dbraw/zinc/51/45/85/463514585.db2.gz HOHHXVAOTGBXMA-MLGOLLRUSA-N -1 3 334.391 2.225 10 10 EECEHM CCc1nnc(C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)[nH]1 ZINC000191562925 464820081 /nfs/dbraw/zinc/82/00/81/464820081.db2.gz NCILDJRFQRPYEC-UHFFFAOYSA-N -1 3 330.388 2.107 10 10 EECEHM O=C(c1cccs1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193065793 534758983 /nfs/dbraw/zinc/75/89/83/534758983.db2.gz KVCBYZQUBFAQLP-UHFFFAOYSA-N -1 3 346.408 2.148 10 10 EECEHM Cc1nccc(N2CCN(Cc3c([O-])ccc4ccncc43)CC2)n1 ZINC000758979366 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CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC001261752106 1322171679 /nfs/dbraw/zinc/17/16/79/1322171679.db2.gz SISGTQSMLPBXNG-GFCCVEGCSA-N -1 3 347.371 2.451 10 10 EECEHM Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2c([O-])cccc2F)[nH]n1 ZINC001303879351 1331368842 /nfs/dbraw/zinc/36/88/42/1331368842.db2.gz ZAAKINZPLBTXGW-UHFFFAOYSA-N -1 3 343.362 2.202 10 10 EECEHM CNC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708076580 786711668 /nfs/dbraw/zinc/71/16/68/786711668.db2.gz XLDSSBWDQBSVMU-QMMMGPOBSA-N -1 3 347.640 2.376 10 10 EECEHM COc1ccc2c(c1)OC[C@H](NC(=O)NCc1c([O-])cccc1F)C2 ZINC000921736946 795651880 /nfs/dbraw/zinc/65/18/80/795651880.db2.gz OHQGFAKFPXOZNL-GFCCVEGCSA-N -1 3 346.358 2.343 10 10 EECEHM COCc1nc(CNC(=O)NCc2c([O-])cccc2F)cs1 ZINC000922530714 801251423 /nfs/dbraw/zinc/25/14/23/801251423.db2.gz APWWCWFAGJQLDD-UHFFFAOYSA-N -1 3 325.365 2.134 10 10 EECEHM O=C(C[C@H]1C(=O)Nc2ccc(F)cc21)NCc1c([O-])cccc1F ZINC001471976393 1110537143 /nfs/dbraw/zinc/53/71/43/1110537143.db2.gz 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/nfs/dbraw/zinc/73/44/21/684734421.db2.gz VPLGFWDIXXWJED-UHFFFAOYSA-N -1 3 343.250 2.426 10 10 EECEHM O=C(CC1CCCC1)NC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193050962 1210704737 /nfs/dbraw/zinc/70/47/37/1210704737.db2.gz WUEYWTYPCRICAR-UHFFFAOYSA-N -1 3 346.427 2.399 10 10 EECEHM Cn1cc(CNCc2cc(F)cc(F)c2[O-])c(Br)n1 ZINC000720664770 1217276514 /nfs/dbraw/zinc/27/65/14/1217276514.db2.gz DDCQXMQKNUQTNX-UHFFFAOYSA-N -1 3 332.148 2.456 10 10 EECEHM COC(=O)[C@@]1(OC)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000859558571 1294494107 /nfs/dbraw/zinc/49/41/07/1294494107.db2.gz NTPLCLHDUCLWPR-MRXNPFEDSA-N -1 3 341.791 2.012 10 10 EECEHM O=C(NCc1c([O-])cccc1F)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001652295106 1354085653 /nfs/dbraw/zinc/08/56/53/1354085653.db2.gz BLSBLPCNACPOKU-UHFFFAOYSA-N -1 3 342.326 2.115 10 10 EECEHM CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(F)c(F)c2[O-])CO1 ZINC000722489415 778892336 /nfs/dbraw/zinc/89/23/36/778892336.db2.gz JNXOFMUAHALZPT-SNVBAGLBSA-N -1 3 330.331 2.311 10 10 EECEHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)c(C)cc1F ZINC000793348876 810299728 /nfs/dbraw/zinc/29/97/28/810299728.db2.gz FFOTVBQKWXZNJW-UHFFFAOYSA-N -1 3 339.344 2.427 10 10 EECEHM Cc1occc1C(=O)NC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193011640 237359340 /nfs/dbraw/zinc/35/93/40/237359340.db2.gz APENJSTUHJCRLO-UHFFFAOYSA-N -1 3 344.367 2.034 10 10 EECEHM Cc1cc(Cl)cc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1[O-] ZINC000289322880 464074596 /nfs/dbraw/zinc/07/45/96/464074596.db2.gz FVYMHNODJQQNCB-CQSZACIVSA-N -1 3 346.880 2.210 10 10 EECEHM COc1cccc(N2CC[C@H](CNC(=O)c3cccc(O)c3[O-])C2)c1 ZINC000187065440 464094813 /nfs/dbraw/zinc/09/48/13/464094813.db2.gz DDERJEVHLPDLGA-CYBMUJFWSA-N -1 3 342.395 2.363 10 10 EECEHM Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3[O-])C2)n1 ZINC000182460436 464660967 /nfs/dbraw/zinc/66/09/67/464660967.db2.gz KWTNZPTZXAKXHR-CQSZACIVSA-N -1 3 344.415 2.167 10 10 EECEHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c([O-])c1O ZINC000182598157 464691661 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10 10 EECEHM CCOCc1nc([C@H](C)NC(=O)NCc2c([O-])cccc2F)no1 ZINC001681647863 1358048986 /nfs/dbraw/zinc/04/89/86/1358048986.db2.gz XDBBQMKKOPBCKJ-VIFPVBQESA-N -1 3 338.339 2.011 10 10 EECEHM Cn1cc(CN2CCCN(Cc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000121564982 463158911 /nfs/dbraw/zinc/15/89/11/463158911.db2.gz QOCBIRJWANQKSW-UHFFFAOYSA-N -1 3 334.851 2.487 10 10 EECEHM O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1cccc(O)c1[O-] ZINC000185660179 463858704 /nfs/dbraw/zinc/85/87/04/463858704.db2.gz AELTUQJXUTYQCL-CQSZACIVSA-N -1 3 326.352 2.023 10 10 EECEHM COc1c([O-])c(CN[C@H]2CCCc3nn(C)cc32)ccc1[N+](=O)[O-] ZINC000282845220 464971329 /nfs/dbraw/zinc/97/13/29/464971329.db2.gz DAPYPJIICPHAED-LBPRGKRZSA-N -1 3 332.360 2.210 10 10 EECEHM COc1c([O-])c([C@@H]2NC(=O)c3ccc(F)cc3N2)ccc1[N+](=O)[O-] ZINC000772175945 577255965 /nfs/dbraw/zinc/25/59/65/577255965.db2.gz HEYFXZSTAYZKDG-AWEZNQCLSA-N -1 3 333.275 2.302 10 10 EECEHM O=C1OCC[C@@H]2CN(Cc3cc(Br)ccc3[O-])CCN12 ZINC000770386182 577595221 /nfs/dbraw/zinc/59/52/21/577595221.db2.gz MUGWOEMXHDSEIN-GFCCVEGCSA-N -1 3 341.205 2.181 10 10 EECEHM COC(=O)CN(Cc1ncc(C)cn1)Cc1cc(Cl)ccc1[O-] ZINC000760857514 577670735 /nfs/dbraw/zinc/67/07/35/577670735.db2.gz QTLYQBPUGHKJCT-UHFFFAOYSA-N -1 3 335.791 2.319 10 10 EECEHM O=C(NCCN1CCc2sccc2C1)NCc1c([O-])cccc1F ZINC000914328551 683499213 /nfs/dbraw/zinc/49/92/13/683499213.db2.gz PORCTZVUDQUITO-UHFFFAOYSA-N -1 3 349.431 2.450 10 10 EECEHM COc1cc(F)ccc1N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193072956 684812381 /nfs/dbraw/zinc/81/23/81/684812381.db2.gz SYVUBEDXFAHALB-UHFFFAOYSA-N -1 3 346.358 2.208 10 10 EECEHM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NCc1c([O-])cccc1F ZINC000931158408 1206611722 /nfs/dbraw/zinc/61/17/22/1206611722.db2.gz PQIGXFNVJQLUEB-LLVKDONJSA-N -1 3 348.378 2.481 10 10 EECEHM O=[N+]([O-])c1ccc([O-])c(CNC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000858209747 1294046534 /nfs/dbraw/zinc/04/65/34/1294046534.db2.gz UKWAZHLXZWHMQU-GFCCVEGCSA-N -1 3 330.266 2.390 10 10 EECEHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1[O-] ZINC000842163963 1315670833 /nfs/dbraw/zinc/67/08/33/1315670833.db2.gz TUEFICGWNPCSNH-VXGBXAGGSA-N -1 3 340.851 2.135 10 10 EECEHM CCn1ncc(C(=O)NCc2c([O-])cccc2F)c1Br ZINC001156177838 1317908031 /nfs/dbraw/zinc/90/80/31/1317908031.db2.gz OVIUMMMTMUOKJH-UHFFFAOYSA-N -1 3 342.168 2.440 10 10 EECEHM C[C@@H](CNC(=O)NCc1c([O-])cccc1F)CC1(C)OCCO1 ZINC000921439305 773373887 /nfs/dbraw/zinc/37/38/87/773373887.db2.gz XNKNSGLINFFDGQ-LLVKDONJSA-N -1 3 326.368 2.120 10 10 EECEHM CS(=O)(=O)Cc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001456086962 1109072073 /nfs/dbraw/zinc/07/20/73/1109072073.db2.gz IEIQMKIAWBSFCC-UHFFFAOYSA-N -1 3 337.372 2.006 10 10 EECEHM CC(C)OCCOC[C@H](O)CN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295372466 464806304 /nfs/dbraw/zinc/80/63/04/464806304.db2.gz OMIIPRFOGBUTFG-CYBMUJFWSA-N -1 3 349.830 2.419 10 10 EECEHM COCc1nc([C@H]2COCCN2Cc2cc(Cl)ccc2[O-])no1 ZINC000364102264 466682989 /nfs/dbraw/zinc/68/29/89/466682989.db2.gz VVJCWSCMHXULEB-GFCCVEGCSA-N -1 3 339.779 2.149 10 10 EECEHM O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1cc([O-])cs1 ZINC000765158961 577496150 /nfs/dbraw/zinc/49/61/50/577496150.db2.gz WGKFEAUVJVWIDX-AWEZNQCLSA-N -1 3 342.380 2.287 10 10 EECEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC3CCC2CC3)c1 ZINC000770032356 577589276 /nfs/dbraw/zinc/58/92/76/577589276.db2.gz LDWCHAWNTPCTPZ-QIMFLAQGSA-N -1 3 338.429 2.072 10 10 EECEHM CC(=O)N(C)c1ccc(NC(=O)NCc2c([O-])cccc2F)cn1 ZINC001625802751 1176145639 /nfs/dbraw/zinc/14/56/39/1176145639.db2.gz UFLKZZMTJJTWSS-UHFFFAOYSA-N -1 3 332.335 2.231 10 10 EECEHM O=C1[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C1CCC1 ZINC000858342379 1294089498 /nfs/dbraw/zinc/08/94/98/1294089498.db2.gz LECTZDVRYSBBHM-LBPRGKRZSA-N -1 3 339.779 2.197 10 10 EECEHM O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1c([O-])cccc1F ZINC001611667091 1352303494 /nfs/dbraw/zinc/30/34/94/1352303494.db2.gz NUFRKKAHSMSIRG-UHFFFAOYSA-N -1 3 327.315 2.039 10 10 EECEHM O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC001615088926 1352322984 /nfs/dbraw/zinc/32/29/84/1352322984.db2.gz XVZIVDVVMDZQLU-OAHLLOKOSA-N -1 3 341.363 2.446 10 10 EECEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)C(=O)N1CCCC[C@H]1C ZINC000919373650 769828549 /nfs/dbraw/zinc/82/85/49/769828549.db2.gz CPDJATFJKANSTG-VXGBXAGGSA-N -1 3 337.395 2.120 10 10 EECEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000921545633 789157067 /nfs/dbraw/zinc/15/70/67/789157067.db2.gz UQINAMDYBYYTHP-BZNIZROVSA-N -1 3 340.420 2.385 10 10 EECEHM CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)c1cccc(O)c1[O-] ZINC001471746048 1110529662 /nfs/dbraw/zinc/52/96/62/1110529662.db2.gz KWAASOIUWLWZKB-ZDUSSCGKSA-N -1 3 342.351 2.195 10 10 EECEHM COc1cc(OC)c(CNC(=O)c2ccc(C)c(O)c2[O-])c(OC)c1 ZINC000267628027 464937136 /nfs/dbraw/zinc/93/71/36/464937136.db2.gz WKXGZQVRDWLATB-UHFFFAOYSA-N -1 3 347.367 2.362 10 10 EECEHM COc1cc(Br)cc(CN2C[C@@H](O)C3(CC3)C2)c1[O-] ZINC000372364275 466331380 /nfs/dbraw/zinc/33/13/80/466331380.db2.gz FUIBCIOYSQZFAZ-GFCCVEGCSA-N -1 3 328.206 2.120 10 10 EECEHM COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000775367603 577435955 /nfs/dbraw/zinc/43/59/55/577435955.db2.gz ADUXQMSMMASFMP-VXGBXAGGSA-N -1 3 336.388 2.003 10 10 EECEHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccnc2N(C)C)c1 ZINC000756413161 577843710 /nfs/dbraw/zinc/84/37/10/577843710.db2.gz XYMJMNURIJXSPG-GFCCVEGCSA-N -1 3 329.400 2.491 10 10 EECEHM C[C@@H](N[C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(F)cc1[O-] ZINC000757658109 577862026 /nfs/dbraw/zinc/86/20/26/577862026.db2.gz VAIHZKNQPNODPL-DOMZBBRYSA-N -1 3 346.406 2.107 10 10 EECEHM Cn1nc([C@H]2CCCO2)cc1NC(=O)NCc1c([O-])cccc1F ZINC000931139008 1206609989 /nfs/dbraw/zinc/60/99/89/1206609989.db2.gz UCCQUZIBQKSAEP-CQSZACIVSA-N -1 3 334.351 2.438 10 10 EECEHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C[C@@H]2CCOC2)c1[O-] ZINC000933671795 1207811331 /nfs/dbraw/zinc/81/13/31/1207811331.db2.gz QFVAJMJJHYUEAR-BBRMVZONSA-N -1 3 337.391 2.361 10 10 EECEHM Cn1ncc(C(F)(F)F)c1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000850112677 1277041862 /nfs/dbraw/zinc/04/18/62/1277041862.db2.gz SPMHBLACBGOJHI-UHFFFAOYSA-N -1 3 330.266 2.343 10 10 EECEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(N(C)C)cc2C)nn1 ZINC000867410014 1289796512 /nfs/dbraw/zinc/79/65/12/1289796512.db2.gz UKIWMHRMLBSXDW-AWEZNQCLSA-N -1 3 348.472 2.069 10 10 EECEHM CO[C@H](CS(=O)(=O)Nc1ccc([O-])c(Cl)c1)C1CCOCC1 ZINC000842588227 1315727000 /nfs/dbraw/zinc/72/70/00/1315727000.db2.gz MEKIVLIYWDJYMQ-CQSZACIVSA-N -1 3 349.836 2.229 10 10 EECEHM O=S(=O)(NCc1c([O-])cccc1F)c1ccnn1CC1CCC1 ZINC000921451867 773382739 /nfs/dbraw/zinc/38/27/39/773382739.db2.gz XKUCUVHKNJWZTF-UHFFFAOYSA-N -1 3 339.392 2.006 10 10 EECEHM O=C(CCn1cnc2sccc2c1=O)NCc1c([O-])cccc1F ZINC001178412812 799466703 /nfs/dbraw/zinc/46/67/03/799466703.db2.gz GJWJKRNKWNLYOP-UHFFFAOYSA-N -1 3 347.371 2.009 10 10 EECEHM CC(C)(C)OC(=O)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)[n-]n1 ZINC001452102001 1098209323 /nfs/dbraw/zinc/20/93/23/1098209323.db2.gz QQBWEAMNZZBZOG-FNORWQNLSA-N -1 3 345.355 2.428 10 10 EECEHM Cc1ccc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)c([O-])c1O ZINC000188780710 464368022 /nfs/dbraw/zinc/36/80/22/464368022.db2.gz WBPKKHXJPGREKA-NSHDSACASA-N -1 3 330.388 2.338 10 10 EECEHM CC(=O)c1cc(F)cc(CN2CCS[C@H]3COCC[C@H]32)c1[O-] ZINC000246937245 464636103 /nfs/dbraw/zinc/63/61/03/464636103.db2.gz NLZJBDMJDKGCKY-CABCVRRESA-N -1 3 325.405 2.440 10 10 EECEHM CC(=O)c1cc(Cl)cc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1[O-] ZINC000177129672 464939489 /nfs/dbraw/zinc/93/94/89/464939489.db2.gz HOOZBWQBHAEWIX-NWDGAFQWSA-N -1 3 340.851 2.135 10 10 EECEHM Cn1ccnc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000741263555 578115881 /nfs/dbraw/zinc/11/58/81/578115881.db2.gz KUZFCKYRHRNRHM-CQSZACIVSA-N -1 3 348.834 2.174 10 10 EECEHM COc1c([O-])c(CN2CCO[C@H](C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000872257750 1198115280 /nfs/dbraw/zinc/11/52/80/1198115280.db2.gz VWCXJNFASXGOSJ-NSHDSACASA-N -1 3 332.303 2.165 10 10 EECEHM O=C(NCc1c([O-])cccc1F)Nc1ccnn1C[C@@H]1CCOC1 ZINC001333153312 1335971948 /nfs/dbraw/zinc/97/19/48/1335971948.db2.gz PLUDKCPIYVNGRF-NSHDSACASA-N -1 3 334.351 2.086 10 10 EECEHM O=C(NCc1c([O-])cccc1F)[C@H]1CSC(c2ccccc2O)=N1 ZINC001596913410 1349913683 /nfs/dbraw/zinc/91/36/83/1349913683.db2.gz XIIKLYRFDQRJLO-CYBMUJFWSA-N -1 3 346.383 2.415 10 10 EECEHM O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001628251389 1352527398 /nfs/dbraw/zinc/52/73/98/1352527398.db2.gz KBKTURQALMALAZ-MRVPVSSYSA-N -1 3 345.380 2.371 10 10 EECEHM Cc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1N(C)C ZINC000921452645 773382774 /nfs/dbraw/zinc/38/27/74/773382774.db2.gz VDZPGYLVIAULMW-UHFFFAOYSA-N -1 3 338.404 2.384 10 10 EECEHM [O-]c1cc(Br)ccc1CN1CCN(c2cccnn2)CC1 ZINC000824657579 788258953 /nfs/dbraw/zinc/25/89/53/788258953.db2.gz QXJZWOXJBALLDS-UHFFFAOYSA-N -1 3 349.232 2.267 10 10 EECEHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1nnc2ccccn21 ZINC000790778681 808915243 /nfs/dbraw/zinc/91/52/43/808915243.db2.gz KEPWNSCHSQGJCA-CQSZACIVSA-N -1 3 326.356 2.268 10 10 EECEHM COc1cc(N(C)C(=O)c2cccc(O)c2[O-])cc(OC)c1OC ZINC001444034882 1098554575 /nfs/dbraw/zinc/55/45/75/1098554575.db2.gz WMBFAORJAJIVKG-UHFFFAOYSA-N -1 3 333.340 2.400 10 10 EECEHM CC1(C)CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000175642619 464594056 /nfs/dbraw/zinc/59/40/56/464594056.db2.gz LQDZJAOWUHMEGJ-UHFFFAOYSA-N -1 3 340.445 2.462 10 10 EECEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000768388432 577554858 /nfs/dbraw/zinc/55/48/58/577554858.db2.gz YUGCZVRMAYLNHY-SNVBAGLBSA-N -1 3 348.371 2.071 10 10 EECEHM CC(=O)N[C@H](CC(=O)NCc1c([O-])cccc1F)c1cccs1 ZINC000928708200 1206413710 /nfs/dbraw/zinc/41/37/10/1206413710.db2.gz DQWHEBDNZHGFAT-CYBMUJFWSA-N -1 3 336.388 2.477 10 10 EECEHM CC(=O)c1cc(F)cc(CN2CC[C@@H](Nc3ncccn3)C2)c1[O-] ZINC000903027166 1239371565 /nfs/dbraw/zinc/37/15/65/1239371565.db2.gz OMJVRVYUQNVWGY-CQSZACIVSA-N -1 3 330.363 2.210 10 10 EECEHM COC(=O)C[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC001158485181 1319263124 /nfs/dbraw/zinc/26/31/24/1319263124.db2.gz WVVMEYGGZLKJRQ-ZDUSSCGKSA-N -1 3 329.352 2.002 10 10 EECEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCc2ccccc2NC1=O ZINC001686927244 1358512994 /nfs/dbraw/zinc/51/29/94/1358512994.db2.gz BYDCOROPEWTAMN-OAHLLOKOSA-N -1 3 343.358 2.284 10 10 EECEHM Cc1cc(F)cc(-n2cc(C(=O)NCc3c([O-])cccc3F)nn2)c1 ZINC001178412875 799466854 /nfs/dbraw/zinc/46/68/54/799466854.db2.gz IZPYQHFBFBTPQH-UHFFFAOYSA-N -1 3 344.321 2.490 10 10 EECEHM Cc1cc(C(=O)NCc2nc(C)cc(=O)[n-]2)c(C)n1-c1ccccn1 ZINC001469724530 1110496271 /nfs/dbraw/zinc/49/62/71/1110496271.db2.gz OHNHSBQGHCMQQA-UHFFFAOYSA-N -1 3 337.383 2.223 10 10 EECEHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccnnc1 ZINC000133826165 462974360 /nfs/dbraw/zinc/97/43/60/462974360.db2.gz SSTPFBDZJGTFLV-HNNXBMFYSA-N -1 3 346.818 2.230 10 10 EECEHM CC(=O)N1CCN(Cc2cc(Br)ccc2[O-])[C@H](C)C1 ZINC000271155171 464283807 /nfs/dbraw/zinc/28/38/07/464283807.db2.gz BCLKPSSPZXZZFK-SNVBAGLBSA-N -1 3 327.222 2.207 10 10 EECEHM Cc1ccc(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c([O-])c1O ZINC000182598179 464691307 /nfs/dbraw/zinc/69/13/07/464691307.db2.gz NCGPKBJLZCIISQ-NSHDSACASA-N -1 3 347.802 2.463 10 10 EECEHM COC(=O)C[C@H]1CN(C(=O)/C=C/c2cncc([O-])c2)c2ccccc21 ZINC000365007017 466727292 /nfs/dbraw/zinc/72/72/92/466727292.db2.gz ALFPEBUEFNDCNB-UZYOAWRESA-N -1 3 338.363 2.494 10 10 EECEHM CCn1ncc(CNCc2cc(C)cc(Br)c2[O-])n1 ZINC000527733758 467664337 /nfs/dbraw/zinc/66/43/37/467664337.db2.gz FLHICBHKBSUTCZ-UHFFFAOYSA-N -1 3 325.210 2.364 10 10 EECEHM [O-]c1c(Br)cccc1CN1CCSC[C@H]1CCO ZINC000770305748 577593701 /nfs/dbraw/zinc/59/37/01/577593701.db2.gz SOMJZMWTOQZAMM-LLVKDONJSA-N -1 3 332.263 2.455 10 10 EECEHM COc1cc(Cl)cc(CN(C)CC(C)(C)S(C)(=O)=O)c1[O-] ZINC000761202999 577678991 /nfs/dbraw/zinc/67/89/91/577678991.db2.gz HPTGIDVXZMMXBH-UHFFFAOYSA-N -1 3 335.853 2.309 10 10 EECEHM CC1(C)Cc2ccc(C(=O)NCCc3ccc(O)c(O)c3)c([O-])c2O1 ZINC000762264043 577698313 /nfs/dbraw/zinc/69/83/13/577698313.db2.gz OKARITXBVRVMSZ-UHFFFAOYSA-N -1 3 343.379 2.489 10 10 EECEHM O=C(NCc1c([O-])cccc1F)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000928712052 1206413942 /nfs/dbraw/zinc/41/39/42/1206413942.db2.gz NQSZAUQSLZEUQJ-UHFFFAOYSA-N -1 3 331.347 2.025 10 10 EECEHM CCOC(=O)c1cc(NC(=O)NCc2c([O-])cccc2F)cn1C ZINC000930299175 1206547631 /nfs/dbraw/zinc/54/76/31/1206547631.db2.gz BQKBBSCLUIDUQY-UHFFFAOYSA-N -1 3 335.335 2.368 10 10 EECEHM CCCCN(Cc1ccccc1O)C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000801545973 1235815732 /nfs/dbraw/zinc/81/57/32/1235815732.db2.gz GOASDQBGPRCLPE-UHFFFAOYSA-N -1 3 344.415 2.396 10 10 EECEHM NC(=O)C[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000863324785 1296220728 /nfs/dbraw/zinc/22/07/28/1296220728.db2.gz KMIJSJGGSPNVAP-CYBMUJFWSA-N -1 3 340.379 2.368 10 10 EECEHM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(O)c1[O-] ZINC001617951293 1352346742 /nfs/dbraw/zinc/34/67/42/1352346742.db2.gz FWIJGVFJGTVZIH-UHFFFAOYSA-N -1 3 347.323 2.154 10 10 EECEHM O=C(NCc1ccc(O)c(O)c1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001631438866 1352583621 /nfs/dbraw/zinc/58/36/21/1352583621.db2.gz NFPDUVVVARDMRV-UHFFFAOYSA-N -1 3 346.289 2.148 10 10 EECEHM O=C(c1cccc(O)c1[O-])N1CC2(C1)OC(=O)Nc1ccc(F)cc12 ZINC001647769373 1353401414 /nfs/dbraw/zinc/40/14/14/1353401414.db2.gz OCYVXARAHOKHHL-UHFFFAOYSA-N -1 3 344.298 2.150 10 10 EECEHM O=C(N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)c1cccc(O)c1[O-] ZINC001650628293 1354024731 /nfs/dbraw/zinc/02/47/31/1354024731.db2.gz DNVVMVBOTIVCMJ-HDJSIYSDSA-N -1 3 341.363 2.350 10 10 EECEHM O=C(N[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1)c1ccccc1 ZINC001136956652 788346757 /nfs/dbraw/zinc/34/67/57/788346757.db2.gz YVOWGDGKLHTXMC-AWEZNQCLSA-N -1 3 340.379 2.132 10 10 EECEHM C[C@H]1C(=O)Nc2cc(C(=O)NCc3c([O-])cccc3F)ccc2N1C ZINC001471975825 1110537121 /nfs/dbraw/zinc/53/71/21/1110537121.db2.gz ITJLBOAEFIQFKJ-JTQLQIEISA-N -1 3 343.358 2.238 10 10 EECEHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000188480314 464291550 /nfs/dbraw/zinc/29/15/50/464291550.db2.gz AQMWELRANZFZJR-CQSZACIVSA-N 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COc1cc(Br)cc(C[N@@H+](CC(=O)[O-])CC2CC2)c1[O-] ZINC000844937357 789473831 /nfs/dbraw/zinc/47/38/31/789473831.db2.gz UIDCLVMRQUNFNY-UHFFFAOYSA-N -1 3 344.205 2.460 10 10 EECEHM COc1cc(Br)cc(C[N@H+](CC(=O)[O-])CC2CC2)c1[O-] ZINC000844937357 789473838 /nfs/dbraw/zinc/47/38/38/789473838.db2.gz UIDCLVMRQUNFNY-UHFFFAOYSA-N -1 3 344.205 2.460 10 10 EECEHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000914158931 795028307 /nfs/dbraw/zinc/02/83/07/795028307.db2.gz YOKIHGMDLRJFOX-JTQLQIEISA-N -1 3 349.328 2.215 10 10 EECEHM CN(Cc1cc(Br)cc(F)c1[O-])C[C@H]1CN(C)CCO1 ZINC000715788082 795503223 /nfs/dbraw/zinc/50/32/23/795503223.db2.gz XYRDEAHUYSNFEA-GFCCVEGCSA-N -1 3 347.228 2.056 10 10 EECEHM CN1CCCc2cc(CNC(=O)NCc3ncccc3[O-])ccc21 ZINC000792060932 809557126 /nfs/dbraw/zinc/55/71/26/809557126.db2.gz ZDGKSDSJCMFYBA-UHFFFAOYSA-N -1 3 326.400 2.169 10 10 EECEHM COc1cc(Cl)cc(C[NH2+][C@@H](Cc2ccncc2)C(=O)[O-])c1[O-] ZINC000848639003 1126112301 /nfs/dbraw/zinc/11/23/01/1126112301.db2.gz 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CN1CC[C@H](NC(=O)c2cccc(O)c2[O-])[C@H]1c1ccc(F)cc1 ZINC000365790382 466940795 /nfs/dbraw/zinc/94/07/95/466940795.db2.gz SRIQLRWBIBFZOB-GOEBONIOSA-N -1 3 330.359 2.412 10 10 EECEHM C[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756737304 577849607 /nfs/dbraw/zinc/84/96/07/577849607.db2.gz SLZIGOWNUPHOMY-MEBBXXQBSA-N -1 3 340.370 2.101 10 10 EECEHM O=C1CC2(CCC2)N(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1 ZINC000895929286 684778409 /nfs/dbraw/zinc/77/84/09/684778409.db2.gz ZUGHCXNOEPIRJB-UHFFFAOYSA-N -1 3 339.779 2.198 10 10 EECEHM CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928710320 1206413629 /nfs/dbraw/zinc/41/36/29/1206413629.db2.gz BEQPSUYLHMMGMA-LBPRGKRZSA-N -1 3 326.368 2.451 10 10 EECEHM Cc1cc([O-])c(CN2CCN(c3nc(N)ns3)CC2)c(Cl)c1 ZINC000840919336 1315436007 /nfs/dbraw/zinc/43/60/07/1315436007.db2.gz CKBRFZOSVVUMHH-UHFFFAOYSA-N -1 3 339.852 2.110 10 10 EECEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000067859138 773730285 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ZINC001652295264 1354086112 /nfs/dbraw/zinc/08/61/12/1354086112.db2.gz FFQANOWJRADMJT-GFCCVEGCSA-N -1 3 330.359 2.356 10 10 EECEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)C(=O)N1CCCC[C@@H]1C ZINC000919373648 769827652 /nfs/dbraw/zinc/82/76/52/769827652.db2.gz CPDJATFJKANSTG-NWDGAFQWSA-N -1 3 337.395 2.120 10 10 EECEHM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000921350500 773299252 /nfs/dbraw/zinc/29/92/52/773299252.db2.gz ZVDXMNCSMKGURS-MNDBLIDSSA-N -1 3 342.436 2.410 10 10 EECEHM C[C@@H](CNC(=O)NCc1c([O-])cccc1F)NC(=O)OC(C)(C)C ZINC000922268599 800166149 /nfs/dbraw/zinc/16/61/49/800166149.db2.gz NNQMFQHHVLWRHB-JTQLQIEISA-N -1 3 341.383 2.244 10 10 EECEHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000193174209 237371698 /nfs/dbraw/zinc/37/16/98/237371698.db2.gz XGPVRNSVFQIFNT-AWEZNQCLSA-N -1 3 346.770 2.065 10 10 EECEHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC(=O)C1 ZINC000367960125 466560293 /nfs/dbraw/zinc/56/02/93/466560293.db2.gz QZRGVCYRYPKRJU-CQSZACIVSA-N -1 3 336.819 2.105 10 10 EECEHM COc1c([O-])c(CN2CCC[C@H](c3ccncn3)C2)ccc1[N+](=O)[O-] ZINC000365496474 466837854 /nfs/dbraw/zinc/83/78/54/466837854.db2.gz UUJLFEJKGPMQIH-LBPRGKRZSA-N -1 3 344.371 2.479 10 10 EECEHM O=S1(=O)CCN(Cc2c([O-])ccc3ccncc32)[C@@H]2CCC[C@H]21 ZINC000840146980 1315308593 /nfs/dbraw/zinc/30/85/93/1315308593.db2.gz SMAZQMVGVGOBFA-NVXWUHKLSA-N -1 3 332.425 2.092 10 10 EECEHM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000921350499 773299009 /nfs/dbraw/zinc/29/90/09/773299009.db2.gz ZVDXMNCSMKGURS-BAGVQZLWSA-N -1 3 342.436 2.410 10 10 EECEHM COC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)c(C)c1 ZINC001447369784 1102540789 /nfs/dbraw/zinc/54/07/89/1102540789.db2.gz GSCRPKLAAZJHQE-AWEZNQCLSA-N -1 3 333.315 2.189 10 10 EECEHM O=C(c1cccc(O)c1[O-])N1CCc2nccc(Br)c2C1 ZINC001472582969 1110560120 /nfs/dbraw/zinc/56/01/20/1110560120.db2.gz UAPAKDGDTGUYFB-UHFFFAOYSA-N -1 3 349.184 2.454 10 10 EECEHM O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc([O-])c(O)c1 ZINC000097235068 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EECEHM NC(=O)N=Nc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC001648438474 1353429493 /nfs/dbraw/zinc/42/94/93/1353429493.db2.gz JYVSRVLURISOGM-UHFFFAOYSA-N -1 3 327.226 2.238 10 10 EECEHM NC(=O)N=Nc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001648438474 1353429495 /nfs/dbraw/zinc/42/94/95/1353429495.db2.gz JYVSRVLURISOGM-UHFFFAOYSA-N -1 3 327.226 2.238 10 10 EECEHM O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1c([O-])cccc1F ZINC001178410890 799465049 /nfs/dbraw/zinc/46/50/49/799465049.db2.gz XMRULYHNTAUYEL-UHFFFAOYSA-N -1 3 344.342 2.111 10 10 EECEHM COc1c([O-])c(CN(CCO)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000793365740 810286370 /nfs/dbraw/zinc/28/63/70/810286370.db2.gz NOPSLUAOHRRUEY-UHFFFAOYSA-N -1 3 336.344 2.205 10 10 EECEHM Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)c([O-])c1O ZINC000179490446 464145679 /nfs/dbraw/zinc/14/56/79/464145679.db2.gz YOVBDGCHCSHBJH-OAHLLOKOSA-N -1 3 340.379 2.284 10 10 EECEHM Cc1ccc(C(=O)NCc2cn(C)nc2C(F)(F)F)c([O-])c1O ZINC000182883358 464749001 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CN1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@@H]1c1ccccc1 ZINC000295594790 464894941 /nfs/dbraw/zinc/89/49/41/464894941.db2.gz TXTZIJAMJRXFEM-CJNGLKHVSA-N -1 3 330.359 2.412 10 10 EECEHM C[C@H]1CC2(CCC2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000372884415 466628976 /nfs/dbraw/zinc/62/89/76/466628976.db2.gz GEAAYRMHAIMQCJ-NSHDSACASA-N -1 3 338.429 2.168 10 10 EECEHM CCOC(=O)C1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000914410133 683574118 /nfs/dbraw/zinc/57/41/18/683574118.db2.gz DPZSUVNYGBVVLT-UHFFFAOYSA-N -1 3 338.379 2.452 10 10 EECEHM CC1(C)CC(=O)NCCN1Cc1ccc(Br)cc1[O-] ZINC000895400560 684588738 /nfs/dbraw/zinc/58/87/38/684588738.db2.gz RSOWASJIZNHWHK-UHFFFAOYSA-N -1 3 327.222 2.255 10 10 EECEHM C[C@@H](NC(=O)CCc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC000928707130 1206413850 /nfs/dbraw/zinc/41/38/50/1206413850.db2.gz ARXKRMILASAGNM-CYBMUJFWSA-N -1 3 344.386 2.285 10 10 EECEHM C/C=C/C[C@H]1CCCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000863477280 1296300202 /nfs/dbraw/zinc/30/02/02/1296300202.db2.gz YTUGRHKQTMRNQS-JDGPPOGSSA-N -1 3 330.388 2.311 10 10 EECEHM COc1ccc2[nH]c([C@H](C)NC(=O)c3cccc(O)c3[O-])nc2c1 ZINC001633538733 1352612083 /nfs/dbraw/zinc/61/20/83/1352612083.db2.gz VIORDEAJGXWUNI-VIFPVBQESA-N -1 3 327.340 2.474 10 10 EECEHM O=C(NCc1c([O-])cccc1F)c1ccc(Cn2ccnn2)cc1 ZINC001652297979 1354086042 /nfs/dbraw/zinc/08/60/42/1354086042.db2.gz CRTUIWUYIANICO-UHFFFAOYSA-N -1 3 326.331 2.101 10 10 EECEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)C(=O)N1CCCC[C@H]1C ZINC000919373647 769828479 /nfs/dbraw/zinc/82/84/79/769828479.db2.gz CPDJATFJKANSTG-NEPJUHHUSA-N -1 3 337.395 2.120 10 10 EECEHM Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC001148630980 792614775 /nfs/dbraw/zinc/61/47/75/792614775.db2.gz AXBSCSIUKCLJJP-CYBMUJFWSA-N -1 3 343.305 2.482 10 10 EECEHM O=C(NCc1ccc(O)c(O)c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001445902816 1091829360 /nfs/dbraw/zinc/82/93/60/1091829360.db2.gz SPTAZLXJSWJTNM-UHFFFAOYSA-N -1 3 346.289 2.148 10 10 EECEHM CC(C)c1nnc2n1CCN(Cc1cc3c(cc1[O-])OCO3)[C@H]2C 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10 10 EECEHM O=C(NCC[C@@H]1CCC2(CCOCC2)CO1)c1cccc(O)c1[O-] ZINC000899454074 693747414 /nfs/dbraw/zinc/74/74/14/693747414.db2.gz FCGQHHUVUVJBPH-ZDUSSCGKSA-N -1 3 335.400 2.194 10 10 EECEHM CC(=O)c1cc(F)cc(CNC2(c3ncccn3)CCOCC2)c1[O-] ZINC000933343216 1207759238 /nfs/dbraw/zinc/75/92/38/1207759238.db2.gz LCWHOSQMDGDQOO-UHFFFAOYSA-N -1 3 345.374 2.319 10 10 EECEHM NC(=O)C[C@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000863324786 1296220183 /nfs/dbraw/zinc/22/01/83/1296220183.db2.gz KMIJSJGGSPNVAP-ZDUSSCGKSA-N -1 3 340.379 2.368 10 10 EECEHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000920497625 770728410 /nfs/dbraw/zinc/72/84/10/770728410.db2.gz ZLRBFDHQVRIDTC-JTQLQIEISA-N -1 3 334.395 2.312 10 10 EECEHM CC1(C)CCC[C@@H](CS(=O)(=O)NCc2c([O-])cccc2F)O1 ZINC000921451911 773382843 /nfs/dbraw/zinc/38/28/43/773382843.db2.gz YMYOUHZQQRPQRJ-NSHDSACASA-N -1 3 331.409 2.298 10 10 EECEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1nnc2n1CCCCC2 ZINC000916799559 797895747 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CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928711624 687127410 /nfs/dbraw/zinc/12/74/10/687127410.db2.gz JZGDSUZNHVTUSF-GXFFZTMASA-N -1 3 340.420 2.095 10 10 EECEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN1Cc1ccccn1 ZINC000928706560 1206413454 /nfs/dbraw/zinc/41/34/54/1206413454.db2.gz XGVFIKBZGIRLBQ-INIZCTEOSA-N -1 3 329.375 2.207 10 10 EECEHM COC(=O)CN(Cc1nn(C)cc1C)Cc1cc(Cl)ccc1[O-] ZINC000929977194 1206524431 /nfs/dbraw/zinc/52/44/31/1206524431.db2.gz SWESXUHUMPGPCQ-UHFFFAOYSA-N -1 3 337.807 2.263 10 10 EECEHM CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000827544554 1248408833 /nfs/dbraw/zinc/40/88/33/1248408833.db2.gz FFXYWGWQXRUOGK-LLVKDONJSA-N -1 3 329.803 2.372 10 10 EECEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(C)ccc2O)c1 ZINC001640800157 1352714392 /nfs/dbraw/zinc/71/43/92/1352714392.db2.gz FYKHBVYTCDROBJ-UHFFFAOYSA-N -1 3 326.352 2.461 10 10 EECEHM O=C1OCCN1C[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000824455082 788191376 /nfs/dbraw/zinc/19/13/76/788191376.db2.gz 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CN(Cc1cc(Br)ccc1[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000769468086 577578681 /nfs/dbraw/zinc/57/86/81/577578681.db2.gz ADUKAQNEZGQSGK-SNVBAGLBSA-N -1 3 348.262 2.021 10 10 EECEHM C[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756737303 577849548 /nfs/dbraw/zinc/84/95/48/577849548.db2.gz SLZIGOWNUPHOMY-BONVTDFDSA-N -1 3 340.370 2.101 10 10 EECEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000176211651 677789503 /nfs/dbraw/zinc/78/95/03/677789503.db2.gz HRYGMIBNFDVVHI-RYUDHWBXSA-N -1 3 338.429 2.026 10 10 EECEHM Cc1cc([O-])c(CN2CCN(Cc3cnn(C)c3)CC2)c(Cl)c1 ZINC000840914125 684833927 /nfs/dbraw/zinc/83/39/27/684833927.db2.gz PCZWNWJYCRGTPC-UHFFFAOYSA-N -1 3 334.851 2.405 10 10 EECEHM CN(C)C(=O)N(C)[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000827544627 1248407557 /nfs/dbraw/zinc/40/75/57/1248407557.db2.gz GYMSXFPHBXRVSX-JTQLQIEISA-N -1 3 329.803 2.372 10 10 EECEHM Nc1nc(C2CCCC2)ncc1C(=O)NCc1c([O-])cccc1F ZINC001156170061 1317905300 /nfs/dbraw/zinc/90/53/00/1317905300.db2.gz 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CC(C)(C)OC(=O)[C@]1(C(=O)NCc2c([O-])cccc2F)CCCO1 ZINC000928706672 1206413470 /nfs/dbraw/zinc/41/34/70/1206413470.db2.gz UQTKTSAHLZYJKA-QGZVFWFLSA-N -1 3 339.363 2.038 10 10 EECEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000928710379 1206413862 /nfs/dbraw/zinc/41/38/62/1206413862.db2.gz CNWHCFKWDVEPAZ-CYBMUJFWSA-N -1 3 349.406 2.075 10 10 EECEHM CC(=O)c1cc(Cl)cc(CN(CCO)[C@H]2CCO[C@@H]2C)c1[O-] ZINC000796577406 1221421539 /nfs/dbraw/zinc/42/15/39/1221421539.db2.gz FZQDUDNTLXWJPC-ABAIWWIYSA-N -1 3 327.808 2.220 10 10 EECEHM COC(=O)c1cc(OCc2cc(=O)[n-]c(C3CC3)n2)ccc1N(C)C ZINC001118927492 1308959706 /nfs/dbraw/zinc/95/97/06/1308959706.db2.gz QRVCTNAWMKOXFG-UHFFFAOYSA-N -1 3 343.383 2.491 10 10 EECEHM Cn1ccnc1[C@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC001123883818 1310748173 /nfs/dbraw/zinc/74/81/73/1310748173.db2.gz JHRNDWGNEUIXET-NSHDSACASA-N -1 3 346.284 2.368 10 10 EECEHM Cn1nccc1[C@@H](NCc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000843433198 1315914960 /nfs/dbraw/zinc/91/49/60/1315914960.db2.gz XDIBVELHCNNTCB-OAHLLOKOSA-N -1 3 335.379 2.437 10 10 EECEHM O=C(NCc1c([O-])cccc1F)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001156170354 1317905001 /nfs/dbraw/zinc/90/50/01/1317905001.db2.gz LSZVYPWPJQIPGE-MRXNPFEDSA-N -1 3 332.306 2.480 10 10 EECEHM COC(=O)C[C@@](C)(NC(=O)c1cccc(O)c1[O-])c1cccc(F)c1 ZINC000789891524 808232228 /nfs/dbraw/zinc/23/22/28/808232228.db2.gz ZCLOEQYFPLXNPY-GOSISDBHSA-N -1 3 347.342 2.445 10 10 EECEHM Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c([O-])c1O ZINC000182885328 464749162 /nfs/dbraw/zinc/74/91/62/464749162.db2.gz IWDFQOGGRCXZNQ-DOMZBBRYSA-N -1 3 344.411 2.022 10 10 EECEHM CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCN1CC(F)F ZINC000182959902 464765671 /nfs/dbraw/zinc/76/56/71/464765671.db2.gz CPRZWWRWLOZFBN-LLVKDONJSA-N -1 3 328.359 2.208 10 10 EECEHM O=C(NC1CCCCC1)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732267879 577162486 /nfs/dbraw/zinc/16/24/86/577162486.db2.gz AGSVQTJCYVDCBF-UHFFFAOYSA-N -1 3 337.445 2.254 10 10 EECEHM COc1c([O-])c(CN2CCO[C@@H](C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000872257749 1198115520 /nfs/dbraw/zinc/11/55/20/1198115520.db2.gz VWCXJNFASXGOSJ-LLVKDONJSA-N -1 3 332.303 2.165 10 10 EECEHM COc1ccc([C@@H]2CN(C(=O)c3cccc(O)c3[O-])CCO2)cc1 ZINC000870101355 1200468955 /nfs/dbraw/zinc/46/89/55/1200468955.db2.gz NCOUDNZBVORVCA-INIZCTEOSA-N -1 3 329.352 2.320 10 10 EECEHM C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)NCc3c([O-])cccc3F)O2)CO1 ZINC000924051756 1205932200 /nfs/dbraw/zinc/93/22/00/1205932200.db2.gz MLKOOMDBXTXRNO-PEBVRCNWSA-N -1 3 338.379 2.057 10 10 EECEHM CO[C@H](C)c1nsc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC000931470910 1207389973 /nfs/dbraw/zinc/38/99/73/1207389973.db2.gz GHAMPLGOVPHMHA-SSDOTTSWSA-N -1 3 326.353 2.412 10 10 EECEHM CC[C@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000855881019 1293353107 /nfs/dbraw/zinc/35/31/07/1293353107.db2.gz ULMLJPVGUZWVIB-HNNXBMFYSA-N -1 3 326.418 2.072 10 10 EECEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC[C@H]2CC=CCC2)c1 ZINC000862949409 1296038576 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Cc1ccc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)c([O-])c1O ZINC000182433942 464654258 /nfs/dbraw/zinc/65/42/58/464654258.db2.gz FWNCKLGSSWRGRL-UHFFFAOYSA-N -1 3 329.400 2.462 10 10 EECEHM COC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000775367602 577435979 /nfs/dbraw/zinc/43/59/79/577435979.db2.gz ADUXQMSMMASFMP-RYUDHWBXSA-N -1 3 336.388 2.003 10 10 EECEHM COC[C@@H]1CN(Cc2c([O-])c(C(=O)OC)cc3ccccc32)CCO1 ZINC000742157337 578128133 /nfs/dbraw/zinc/12/81/33/578128133.db2.gz KRKUCJXQMOJGSP-AWEZNQCLSA-N -1 3 345.395 2.179 10 10 EECEHM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928712276 1206414137 /nfs/dbraw/zinc/41/41/37/1206414137.db2.gz PYWQTVXZGQDYDO-GFCCVEGCSA-N -1 3 340.420 2.095 10 10 EECEHM CC(=O)c1cc(F)cc(CN2CCc3c(cccc3C(N)=O)C2)c1[O-] ZINC000852754512 1292186835 /nfs/dbraw/zinc/18/68/35/1292186835.db2.gz CLLWRPIVHKAQTM-UHFFFAOYSA-N -1 3 342.370 2.391 10 10 EECEHM [O-]c1cccc(Cl)c1CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856534651 1293559339 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COc1cc(Cl)cc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c1[O-] ZINC000184700898 465019816 /nfs/dbraw/zinc/01/98/16/465019816.db2.gz VEXBPMKYIWUIRR-ZDUSSCGKSA-N -1 3 338.795 2.054 10 10 EECEHM O=C(COC(=O)c1cc([O-])cs1)N1CCC(c2ccccc2)=N1 ZINC000732354488 577174728 /nfs/dbraw/zinc/17/47/28/577174728.db2.gz NYPKROHUWONENO-UHFFFAOYSA-N -1 3 330.365 2.247 10 10 EECEHM C[C@@H]1CCCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769857975 577585982 /nfs/dbraw/zinc/58/59/82/577585982.db2.gz BXAZVNONFGRIPL-LLVKDONJSA-N -1 3 326.418 2.168 10 10 EECEHM CCN(CC)c1ccc(C=Cc2ncc(C(=O)NC)c(=O)[n-]2)cc1F ZINC000095399626 692065037 /nfs/dbraw/zinc/06/50/37/692065037.db2.gz YRLDEWGMPKIITG-VQHVLOKHSA-N -1 3 344.390 2.285 10 10 EECEHM [O-]c1cccc(Br)c1CN1CCOC[C@H]1c1ncon1 ZINC000862305381 1295790694 /nfs/dbraw/zinc/79/06/94/1295790694.db2.gz ZGGAQDNXICQFPG-NSHDSACASA-N -1 3 340.177 2.111 10 10 EECEHM COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001294094683 1328884372 /nfs/dbraw/zinc/88/43/72/1328884372.db2.gz 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O=C(NCc1cccc2c1OCCO2)NCc1c([O-])cccc1F ZINC001676652955 1357174974 /nfs/dbraw/zinc/17/49/74/1357174974.db2.gz CZWYUZMMGMSRDC-UHFFFAOYSA-N -1 3 332.331 2.302 10 10 EECEHM Cn1cc(-c2ncccc2C(=O)NCc2c([O-])cccc2F)cn1 ZINC001652298269 1354085881 /nfs/dbraw/zinc/08/58/81/1354085881.db2.gz ICEGOZFYEPAPNC-UHFFFAOYSA-N -1 3 326.331 2.257 10 10 EECEHM O=C(NCc1cccc(O)c1O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001176576073 798503482 /nfs/dbraw/zinc/50/34/82/798503482.db2.gz DZYZJKTXCPIVQW-UHFFFAOYSA-N -1 3 346.289 2.148 10 10 EECEHM C[C@H](Sc1ccccc1C(=O)NCc1c([O-])cccc1F)C(N)=O ZINC001178413833 799467676 /nfs/dbraw/zinc/46/76/76/799467676.db2.gz ZELVAPAHSBEUNB-JTQLQIEISA-N -1 3 348.399 2.427 10 10 EECEHM Cc1cc(NCCNC(=O)c2ccc(C)c(O)c2[O-])nc(C(C)C)n1 ZINC000529844036 448981851 /nfs/dbraw/zinc/98/18/51/448981851.db2.gz AGYAWUYGBSKYRH-UHFFFAOYSA-N -1 3 344.415 2.470 10 10 EECEHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](N3CCOCC3)C2)c1[O-] ZINC000170812319 463711103 /nfs/dbraw/zinc/71/11/03/463711103.db2.gz 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Cc1cc(Br)c([O-])c(CN[C@@H](C)c2ncnn2C)c1 ZINC000788972146 807782052 /nfs/dbraw/zinc/78/20/52/807782052.db2.gz WAVLPVGYIPPTTR-VIFPVBQESA-N -1 3 325.210 2.442 10 10 EECEHM NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001540643463 1124088550 /nfs/dbraw/zinc/08/85/50/1124088550.db2.gz SLRXBRABSFYFBB-UHFFFAOYSA-N -1 3 341.367 2.049 10 10 EECEHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000091989949 534218586 /nfs/dbraw/zinc/21/85/86/534218586.db2.gz ALHAJBGLRROAKZ-WDEREUQCSA-N -1 3 326.418 2.024 10 10 EECEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000768388431 577554829 /nfs/dbraw/zinc/55/48/29/577554829.db2.gz YUGCZVRMAYLNHY-JTQLQIEISA-N -1 3 348.371 2.071 10 10 EECEHM O=C(NCc1c([O-])cccc1F)c1cc(F)ccc1N1CCOCC1 ZINC000928710411 1206413920 /nfs/dbraw/zinc/41/39/20/1206413920.db2.gz DCKGMIHSJNYFDO-UHFFFAOYSA-N -1 3 348.349 2.437 10 10 EECEHM O=C(CNC(=O)c1ccccc1Cl)NCc1c([O-])cccc1F ZINC001303878706 1331368963 /nfs/dbraw/zinc/36/89/63/1331368963.db2.gz 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ZINC000921451120 773382240 /nfs/dbraw/zinc/38/22/40/773382240.db2.gz KESQRFLSICRTKT-HNNXBMFYSA-N -1 3 331.409 2.156 10 10 EECEHM CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(F)cc(F)c2[O-])CO1 ZINC000722502975 778980522 /nfs/dbraw/zinc/98/05/22/778980522.db2.gz SFHHYJNGMCUTEY-LLVKDONJSA-N -1 3 330.331 2.311 10 10 EECEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC2CCCC2)c1 ZINC000055198158 789086332 /nfs/dbraw/zinc/08/63/32/789086332.db2.gz LAUHXSKJUNXNAD-UHFFFAOYSA-N -1 3 326.418 2.074 10 10 EECEHM Cc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c([O-])c1O ZINC000365932927 466994375 /nfs/dbraw/zinc/99/43/75/466994375.db2.gz ZYPQUGLPXNKHAI-NSHDSACASA-N -1 3 347.396 2.106 10 10 EECEHM O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc(O)c1[O-] ZINC000193134030 534807108 /nfs/dbraw/zinc/80/71/08/534807108.db2.gz NPLGPMUCZBVLIQ-ZDUSSCGKSA-N -1 3 332.400 2.009 10 10 EECEHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928711181 1206414113 /nfs/dbraw/zinc/41/41/13/1206414113.db2.gz GLGRADWXQHSGCV-QWHCGFSZSA-N -1 3 336.407 2.432 10 10 EECEHM COc1ccc(N2CC[C@H](NC(=O)c3ccc(OC)cc3[O-])C2)cc1 ZINC000855231202 1293121730 /nfs/dbraw/zinc/12/17/30/1293121730.db2.gz IIKJXNLYMHVRBR-ZDUSSCGKSA-N -1 3 342.395 2.418 10 10 EECEHM O=c1cc(CN2CCC(n3cccn3)CC2)c2cc(O)c([O-])cc2o1 ZINC000097376411 219019521 /nfs/dbraw/zinc/01/95/21/219019521.db2.gz VLDPUVHRWIKFKK-UHFFFAOYSA-N -1 3 341.367 2.238 10 10 EECEHM COc1nccnc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000294498961 464517984 /nfs/dbraw/zinc/51/79/84/464517984.db2.gz AVUMSMDMMDSYRG-OAHLLOKOSA-N -1 3 329.400 2.372 10 10 EECEHM COCCN1CCN(Cc2cc(Cl)cc(OC)c2[O-])C[C@@H]1C ZINC000184690134 465018834 /nfs/dbraw/zinc/01/88/34/465018834.db2.gz BMFSQPXLWSVARL-LBPRGKRZSA-N -1 3 328.840 2.207 10 10 EECEHM CC[C@@H](CO)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177351319 675906956 /nfs/dbraw/zinc/90/69/56/675906956.db2.gz ICPXWYXFFZZFTL-HNNXBMFYSA-N -1 3 340.851 2.137 10 10 EECEHM O=C1CC2(CCC2)N(Cc2cccc(Br)c2[O-])CCN1 ZINC000895927731 684777731 /nfs/dbraw/zinc/77/77/31/684777731.db2.gz AWWULZFMLKTXLS-UHFFFAOYSA-N -1 3 339.233 2.399 10 10 EECEHM COC[C@@]1(C)CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000862551826 1295879470 /nfs/dbraw/zinc/87/94/70/1295879470.db2.gz QBUYCOVOURITBV-CQSZACIVSA-N -1 3 330.222 2.392 10 10 EECEHM C[C@H]1C(=O)N(CCN(C)C)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000843428740 1315913744 /nfs/dbraw/zinc/91/37/44/1315913744.db2.gz MSIKNELMYTZNOP-JTQLQIEISA-N -1 3 346.258 2.251 10 10 EECEHM CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(O)c1[O-] ZINC001615032481 1352322773 /nfs/dbraw/zinc/32/27/73/1352322773.db2.gz WMIYAKZJUAPOFK-LBPRGKRZSA-N -1 3 329.352 2.400 10 10 EECEHM COc1ccc(CCNC(=O)NCc2c([O-])cccc2F)cc1O ZINC001683823249 1358203184 /nfs/dbraw/zinc/20/31/84/1358203184.db2.gz NBWJDGNUANUCIA-UHFFFAOYSA-N -1 3 334.347 2.287 10 10 EECEHM COc1nnc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[n-]1 ZINC000182989796 780184834 /nfs/dbraw/zinc/18/48/34/780184834.db2.gz QYBIDBXVQKYMEP-UHFFFAOYSA-N -1 3 336.355 2.345 10 10 EECEHM COc1nc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n[n-]1 ZINC000182989796 780184840 /nfs/dbraw/zinc/18/48/40/780184840.db2.gz QYBIDBXVQKYMEP-UHFFFAOYSA-N -1 3 336.355 2.345 10 10 EECEHM COc1n[n-]c(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n1 ZINC000182989796 780184848 /nfs/dbraw/zinc/18/48/48/780184848.db2.gz QYBIDBXVQKYMEP-UHFFFAOYSA-N -1 3 336.355 2.345 10 10 EECEHM [O-]c1cccc(F)c1CNc1ccc2nnc(Br)n2n1 ZINC001472883044 1110565106 /nfs/dbraw/zinc/56/51/06/1110565106.db2.gz CQFAHQIZTUAMOB-UHFFFAOYSA-N -1 3 338.140 2.344 10 10 EECEHM CC(=O)c1cc(F)cc(CN2CCS[C@@H]3COCC[C@H]32)c1[O-] ZINC000246937278 464635843 /nfs/dbraw/zinc/63/58/43/464635843.db2.gz NLZJBDMJDKGCKY-HUUCEWRRSA-N -1 3 325.405 2.440 10 10 EECEHM O=C([N-]c1c2nonc2ccc1Cl)c1cc2n(n1)CCCC2=O ZINC001271357424 1186158257 /nfs/dbraw/zinc/15/82/57/1186158257.db2.gz VEIJENKMXDHRRD-UHFFFAOYSA-N -1 3 331.719 2.302 10 10 EECEHM O=C(NCc1ccc2oc(=O)[nH]c2c1)NCc1c([O-])cccc1F ZINC001687513940 1200109207 /nfs/dbraw/zinc/10/92/07/1200109207.db2.gz GAEGZPZIIGCNLZ-UHFFFAOYSA-N -1 3 331.303 2.378 10 10 EECEHM Cc1cc([O-])c(CN2CCN(Cc3nccn3C)CC2)c(Cl)c1 ZINC000840913423 1315434325 /nfs/dbraw/zinc/43/43/25/1315434325.db2.gz FROYFAVSXFRLMZ-UHFFFAOYSA-N -1 3 334.851 2.405 10 10 EECEHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC001456030059 1109057323 /nfs/dbraw/zinc/05/73/23/1109057323.db2.gz PWPSGLZUJLPTDV-XIKOKIGWSA-N -1 3 326.327 2.058 10 10 EECEHM COC(=O)Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=O ZINC000104197705 219359138 /nfs/dbraw/zinc/35/91/38/219359138.db2.gz OFLZLCRJSQJABV-MDWZMJQESA-N -1 3 331.353 2.394 10 10 EECEHM COC(=O)Cc1nn(-c2nc3ccccc3s2)c([O-])c1C(C)=O ZINC000104197705 219359141 /nfs/dbraw/zinc/35/91/41/219359141.db2.gz OFLZLCRJSQJABV-MDWZMJQESA-N -1 3 331.353 2.394 10 10 EECEHM COc1ccccc1N1CC[C@H](NC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182595630 464690050 /nfs/dbraw/zinc/69/00/50/464690050.db2.gz QRPWMGHDGCMDIM-ZDUSSCGKSA-N -1 3 342.395 2.424 10 10 EECEHM Cc1cc(Br)cc(CN2CC(=O)N(C)[C@@H](C)C2)c1[O-] ZINC000282417143 464811359 /nfs/dbraw/zinc/81/13/59/464811359.db2.gz DODXKWFKRBNCOJ-JTQLQIEISA-N -1 3 327.222 2.126 10 10 EECEHM CCN(CC)c1ccc(CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1 ZINC000765226090 577497525 /nfs/dbraw/zinc/49/75/25/577497525.db2.gz IPEINIKWGUTSQU-UHFFFAOYSA-N -1 3 343.431 2.024 10 10 EECEHM Cc1nnc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000761021613 577674321 /nfs/dbraw/zinc/67/43/21/577674321.db2.gz XBUNPDVASGRWBO-UHFFFAOYSA-N -1 3 338.776 2.174 10 10 EECEHM C[C@H](N[C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(F)cc1[O-] ZINC000757658131 577861988 /nfs/dbraw/zinc/86/19/88/577861988.db2.gz VAIHZKNQPNODPL-WFASDCNBSA-N -1 3 346.406 2.107 10 10 EECEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC/C=C\c2ccccc2)c1 ZINC000255296864 676503991 /nfs/dbraw/zinc/50/39/91/676503991.db2.gz CAYQKZYKLWDDMI-YVMONPNESA-N -1 3 346.408 2.207 10 10 EECEHM Cc1ncccc1OC[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000841470618 1315560141 /nfs/dbraw/zinc/56/01/41/1315560141.db2.gz DMAKKEDTCSVOIX-ZDUSSCGKSA-N -1 3 328.368 2.485 10 10 EECEHM CCN(C(=O)c1cccc(O)c1[O-])[C@H]1CCN(CC(F)(F)F)C1 ZINC000912487880 788195908 /nfs/dbraw/zinc/19/59/08/788195908.db2.gz HCVQVLAZGOPJFE-JTQLQIEISA-N -1 3 332.322 2.197 10 10 EECEHM O=C(NCCc1cnc(C2CC2)nc1)NCc1c([O-])cccc1F ZINC000921648772 792587709 /nfs/dbraw/zinc/58/77/09/792587709.db2.gz FECGVIHKYXVQIV-UHFFFAOYSA-N -1 3 330.363 2.241 10 10 EECEHM C[C@]1(C(=O)NCc2c([O-])cccc2F)Cc2ccccc2C(=O)O1 ZINC001178413045 799467631 /nfs/dbraw/zinc/46/76/31/799467631.db2.gz LOKSNPPNSHZCTE-GOSISDBHSA-N -1 3 329.327 2.319 10 10 EECEHM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000789862295 808249786 /nfs/dbraw/zinc/24/97/86/808249786.db2.gz HUZKQRPDSRGIKW-UTUOFQBUSA-N -1 3 340.445 2.270 10 10 EECEHM [O-]c1ccc(Cl)c(F)c1CNCc1cccnc1-n1cncn1 ZINC000190766894 464718039 /nfs/dbraw/zinc/71/80/39/464718039.db2.gz MYWPJMHINQTGHZ-UHFFFAOYSA-N -1 3 333.754 2.450 10 10 EECEHM CNC(=O)CCOC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775736788 577444209 /nfs/dbraw/zinc/44/42/09/577444209.db2.gz JWOZSHGJFIEOCO-UHFFFAOYSA-N -1 3 344.814 2.302 10 10 EECEHM O=C(NCc1cc(Br)ccc1O)c1cccc(O)c1[O-] ZINC000804737697 675610504 /nfs/dbraw/zinc/61/05/04/675610504.db2.gz WJARLNHQFSNYEI-UHFFFAOYSA-N -1 3 338.157 2.496 10 10 EECEHM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928711628 687127390 /nfs/dbraw/zinc/12/73/90/687127390.db2.gz JZGDSUZNHVTUSF-MFKMUULPSA-N -1 3 340.420 2.095 10 10 EECEHM CC(=O)c1cc(Cl)cc(CN2CCC([C@@H](F)C(N)=O)CC2)c1[O-] ZINC000879044529 1200824139 /nfs/dbraw/zinc/82/41/39/1200824139.db2.gz DQFKZTCWRBSMGV-CQSZACIVSA-N -1 3 342.798 2.284 10 10 EECEHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3COC(=O)N[C@@H]3C2)c1[O-] ZINC001195810540 1283759687 /nfs/dbraw/zinc/75/96/87/1283759687.db2.gz TUZISLJNDNKROW-IINYFYTJSA-N -1 3 338.791 2.179 10 10 EECEHM COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H]2CCCC[C@@H]12 ZINC000855641764 1293283882 /nfs/dbraw/zinc/28/38/82/1293283882.db2.gz BURKLJMKAXRITK-OUCADQQQSA-N -1 3 333.384 2.292 10 10 EECEHM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001157101839 1318402665 /nfs/dbraw/zinc/40/26/65/1318402665.db2.gz FLSQBDOMTNQORK-UHFFFAOYSA-N -1 3 334.372 2.181 10 10 EECEHM O=C(c1cccc(O)c1[O-])N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001326560577 1334115645 /nfs/dbraw/zinc/11/56/45/1334115645.db2.gz NRFIZVRGBVZKRO-KDOFPFPSSA-N -1 3 331.343 2.038 10 10 EECEHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000920497626 770728225 /nfs/dbraw/zinc/72/82/25/770728225.db2.gz ZLRBFDHQVRIDTC-SNVBAGLBSA-N -1 3 334.395 2.312 10 10 EECEHM O=C(NCCc1cccc(C(F)(F)F)n1)c1cccc(O)c1[O-] ZINC000817452467 784773856 /nfs/dbraw/zinc/77/38/56/784773856.db2.gz PMVPNOUWOLMWPX-UHFFFAOYSA-N -1 3 326.274 2.484 10 10 EECEHM O=C(NCc1c([O-])cccc1F)NC1CCN(CC(F)F)CC1 ZINC000915445830 796035773 /nfs/dbraw/zinc/03/57/73/796035773.db2.gz AFVWFYHLKBLMAS-UHFFFAOYSA-N -1 3 331.338 2.060 10 10 EECEHM O=C(NCCCNC(=O)c1ccccc1)NCc1c([O-])cccc1F ZINC001478436068 1110654273 /nfs/dbraw/zinc/65/42/73/1110654273.db2.gz ZVDZOWBGTZKKAS-UHFFFAOYSA-N -1 3 345.374 2.151 10 10 EECEHM Cc1cc(N2CCC[C@@H](N[C@H](C)c3ccc(F)cc3[O-])C2=O)n(C)n1 ZINC000186327655 463977476 /nfs/dbraw/zinc/97/74/76/463977476.db2.gz HWBBFWHKCDAOMX-IUODEOHRSA-N -1 3 346.406 2.419 10 10 EECEHM CC(=O)c1cc(F)cc(CN2CCN(c3cc(C)[nH]n3)CC2)c1[O-] ZINC000187271696 464112393 /nfs/dbraw/zinc/11/23/93/464112393.db2.gz WLTBDRUWONLKLL-UHFFFAOYSA-N -1 3 332.379 2.088 10 10 EECEHM O=C1NCCN1C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295038985 464686273 /nfs/dbraw/zinc/68/62/73/464686273.db2.gz YDDCUHJPQICCRL-UHFFFAOYSA-N -1 3 327.787 2.174 10 10 EECEHM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](CN(C)C)C2)c1[O-] ZINC000177143067 464942510 /nfs/dbraw/zinc/94/25/10/464942510.db2.gz BCIOYXMQQDEQIN-CQSZACIVSA-N -1 3 326.824 2.011 10 10 EECEHM [O-]c1cc2c(cc1CN1CCO[C@@H](c3cccs3)C1)[C@H](O)CO2 ZINC000768464743 577556448 /nfs/dbraw/zinc/55/64/48/577556448.db2.gz TVFAGVNYCCMCEN-GDBMZVCRSA-N -1 3 333.409 2.453 10 10 EECEHM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@@]3(CC=CCC3)C1)cc2=O ZINC000738702157 578024270 /nfs/dbraw/zinc/02/42/70/578024270.db2.gz GBJNAPGQWJYSDL-SFHVURJKSA-N -1 3 342.399 2.455 10 10 EECEHM CC[C@H](CO)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000177351331 675906794 /nfs/dbraw/zinc/90/67/94/675906794.db2.gz ICPXWYXFFZZFTL-OAHLLOKOSA-N -1 3 340.851 2.137 10 10 EECEHM Cc1ccc(CCC(=O)NCC(=O)NCc2c([O-])cccc2F)cc1 ZINC000928712602 1206413937 /nfs/dbraw/zinc/41/39/37/1206413937.db2.gz UIZDUCHCJHFCCU-UHFFFAOYSA-N -1 3 344.386 2.205 10 10 EECEHM CC(=O)c1cc(Cl)cc(CN2CCC(c3nc(N)n[nH]3)CC2)c1[O-] ZINC000852056803 1291974827 /nfs/dbraw/zinc/97/48/27/1291974827.db2.gz OVIASYOXQQQWOA-UHFFFAOYSA-N -1 3 349.822 2.328 10 10 EECEHM COC[C@]1(C)CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000862550990 1295877422 /nfs/dbraw/zinc/87/74/22/1295877422.db2.gz IYNHAUOLFNZOBX-AWEZNQCLSA-N -1 3 330.222 2.392 10 10 EECEHM Cn1ccnc1[C@@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC001123883816 1310748700 /nfs/dbraw/zinc/74/87/00/1310748700.db2.gz JHRNDWGNEUIXET-LLVKDONJSA-N -1 3 346.284 2.368 10 10 EECEHM O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1cccc(O)c1[O-] ZINC001595494922 1349887580 /nfs/dbraw/zinc/88/75/80/1349887580.db2.gz NYOHGQFPXZMZEG-UHFFFAOYSA-N -1 3 334.715 2.334 10 10 EECEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000921405724 773338876 /nfs/dbraw/zinc/33/88/76/773338876.db2.gz WZCGYTUCCJOJQJ-LLVKDONJSA-N -1 3 348.353 2.144 10 10 EECEHM COC(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])nc1C1CC1 ZINC000790922555 808976621 /nfs/dbraw/zinc/97/66/21/808976621.db2.gz QOXFDULVBLUWID-UHFFFAOYSA-N -1 3 342.351 2.087 10 10 EECEHM Cc1nc(-c2ccnc(NC(=O)c3ccc(C)c(O)c3[O-])c2)n[nH]1 ZINC001468761966 1110480181 /nfs/dbraw/zinc/48/01/81/1110480181.db2.gz YZJCNPHTCISWNX-UHFFFAOYSA-N -1 3 325.328 2.147 10 10 EECEHM CC(=O)N/C(=C\c1cccs1)C(=O)NCc1c([O-])cccc1F ZINC001471975876 1110537088 /nfs/dbraw/zinc/53/70/88/1110537088.db2.gz KXOKRCKVMNIBHC-ZSOIEALJSA-N -1 3 334.372 2.386 10 10 EECEHM O=C(NCc1ncc(Br)s1)c1cccc(O)c1[O-] ZINC000714707516 1188364060 /nfs/dbraw/zinc/36/40/60/1188364060.db2.gz UHTARUQHRAOWTF-UHFFFAOYSA-N -1 3 329.175 2.247 10 10 EECEHM Cc1c(NC(=O)c2ccc(C)c(O)c2[O-])nnn1Cc1ccncc1 ZINC001298437418 1330079618 /nfs/dbraw/zinc/07/96/18/1330079618.db2.gz FPBPAMJZLNNKFX-UHFFFAOYSA-N -1 3 339.355 2.002 10 10 EECEHM NC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1Cl ZINC001621282561 1352365769 /nfs/dbraw/zinc/36/57/69/1352365769.db2.gz QHIDUQBIGIFFJE-GFCCVEGCSA-N -1 3 334.759 2.098 10 10 EECEHM C[Si](C)(CNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001672643473 1356562103 /nfs/dbraw/zinc/56/21/03/1356562103.db2.gz KQDDZMYLCZMRKT-UHFFFAOYSA-N -1 3 332.451 2.485 10 10 EECEHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000790415810 808677949 /nfs/dbraw/zinc/67/79/49/808677949.db2.gz NNAAGNHPYNYZNH-UHFFFAOYSA-N -1 3 349.408 2.471 10 10 EECEHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC001456030046 1109057692 /nfs/dbraw/zinc/05/76/92/1109057692.db2.gz PWPSGLZUJLPTDV-KPZWWZAWSA-N -1 3 326.327 2.058 10 10 EECEHM O=C(NCc1c([O-])cccc1F)c1ccc(Cc2nnc[nH]2)cc1 ZINC001471975857 1110537091 /nfs/dbraw/zinc/53/70/91/1110537091.db2.gz KHDUDSHSTOFPPX-UHFFFAOYSA-N -1 3 326.331 2.170 10 10 EECEHM COc1cccc(N2CC[C@@H](CNC(=O)c3cccc(O)c3[O-])C2)c1 ZINC000187065460 464094836 /nfs/dbraw/zinc/09/48/36/464094836.db2.gz DDERJEVHLPDLGA-ZDUSSCGKSA-N -1 3 342.395 2.363 10 10 EECEHM C[C@H]1C[C@H](N2CCOCC2)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000294638745 464561155 /nfs/dbraw/zinc/56/11/55/464561155.db2.gz KDZJXFHNNYWWAN-AAEUAGOBSA-N -1 3 328.815 2.480 10 10 EECEHM Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c([O-])c1O ZINC000770485669 577597308 /nfs/dbraw/zinc/59/73/08/577597308.db2.gz HMSLXKJFGHBKKT-UHFFFAOYSA-N -1 3 328.368 2.495 10 10 EECEHM COc1cc(Cl)cc(CN2CCN3C(=O)OCC[C@@H]3C2)c1[O-] ZINC000761207045 577679090 /nfs/dbraw/zinc/67/90/90/577679090.db2.gz XFALXJLXLPTUTJ-GFCCVEGCSA-N -1 3 326.780 2.081 10 10 EECEHM CCOCn1nc(C)c(CC(=O)NCc2c([O-])cccc2F)c1C ZINC000928705661 687120896 /nfs/dbraw/zinc/12/08/96/687120896.db2.gz KQYFCHCVVXMZQV-UHFFFAOYSA-N -1 3 335.379 2.198 10 10 EECEHM COC(=O)C(C)(C)N1CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840936704 1315440312 /nfs/dbraw/zinc/44/03/12/1315440312.db2.gz CVGUXKOSGMFWDY-UHFFFAOYSA-N -1 3 340.851 2.423 10 10 EECEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000921375993 773314093 /nfs/dbraw/zinc/31/40/93/773314093.db2.gz HRBDISCQGITTPD-VHRBIJSZSA-N -1 3 338.429 2.072 10 10 EECEHM COc1cc(C(=O)NCc2c([O-])cccc2F)cc2c1OCCO2 ZINC001471974445 1110537071 /nfs/dbraw/zinc/53/70/71/1110537071.db2.gz DSTKWRHZCMHTNT-UHFFFAOYSA-N -1 3 333.315 2.241 10 10 EECEHM O=S(=O)([C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C1)N1CCCC1 ZINC000092044837 237036360 /nfs/dbraw/zinc/03/63/60/237036360.db2.gz BAZSWBJCELLVPY-CQSZACIVSA-N -1 3 344.864 2.046 10 10 EECEHM CC(=O)c1cc(F)cc(CN2CCC[C@H](c3ccnc(N)n3)C2)c1[O-] ZINC000368458371 466642233 /nfs/dbraw/zinc/64/22/33/466642233.db2.gz NTCIBUKYMWHYNM-LBPRGKRZSA-N -1 3 344.390 2.486 10 10 EECEHM COC(=O)[C@]12CN(Cc3c([O-])ccc(Cl)c3F)C[C@H]1COCC2 ZINC000369542916 466737062 /nfs/dbraw/zinc/73/70/62/466737062.db2.gz YUYVKAMQNBIWGC-MGPLVRAMSA-N -1 3 343.782 2.196 10 10 EECEHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccnn1 ZINC000528858775 467768953 /nfs/dbraw/zinc/76/89/53/467768953.db2.gz CFSYUKLRJCGXFN-CQSZACIVSA-N -1 3 346.818 2.230 10 10 EECEHM CC(C)(/C=C\Cl)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000928930842 688285564 /nfs/dbraw/zinc/28/55/64/688285564.db2.gz AMCXXRHGJFANRY-SREVYHEPSA-N -1 3 332.809 2.025 10 10 EECEHM O=C(NCc1c([O-])cccc1F)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000928707707 1206413727 /nfs/dbraw/zinc/41/37/27/1206413727.db2.gz BAKRVJJIBPKXGL-AWEZNQCLSA-N -1 3 342.370 2.196 10 10 EECEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C(F)F)c1 ZINC000800614763 1234361076 /nfs/dbraw/zinc/36/10/76/1234361076.db2.gz PLBWUDQTCKFWGX-LLVKDONJSA-N -1 3 348.371 2.024 10 10 EECEHM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000840915297 1315434139 /nfs/dbraw/zinc/43/41/39/1315434139.db2.gz OAWWRMMZYMBLKX-UHFFFAOYSA-N -1 3 335.381 2.274 10 10 EECEHM CCOC(=O)c1nnc([C@@H](C)NCc2ccc(N3CCCC3)cc2)[n-]1 ZINC001333720281 1336114299 /nfs/dbraw/zinc/11/42/99/1336114299.db2.gz VNZVVRQGUNUWSF-CYBMUJFWSA-N -1 3 343.431 2.432 10 10 EECEHM O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC001615088925 1352322968 /nfs/dbraw/zinc/32/29/68/1352322968.db2.gz XVZIVDVVMDZQLU-HNNXBMFYSA-N -1 3 341.363 2.446 10 10 EECEHM CSC1(CNC(=O)NCc2c([O-])cccc2F)CCOCC1 ZINC000920538583 770736436 /nfs/dbraw/zinc/73/64/36/770736436.db2.gz AVQRUEHTESZCRF-UHFFFAOYSA-N -1 3 328.409 2.243 10 10 EECEHM O=S(=O)(NCc1c([O-])cccc1F)c1ccc2c(c1)CCCO2 ZINC000921452185 773382423 /nfs/dbraw/zinc/38/24/23/773382423.db2.gz GVRLYARUJHVKPX-UHFFFAOYSA-N -1 3 337.372 2.335 10 10 EECEHM Cc1ccc(C)c(CN(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)c1 ZINC000846253712 790105865 /nfs/dbraw/zinc/10/58/65/790105865.db2.gz FVKGQQKWQKJKBR-UHFFFAOYSA-N -1 3 340.383 2.382 10 10 EECEHM CCn1ncnc1CNCc1cc(C)cc(Br)c1[O-] ZINC000793345485 810258742 /nfs/dbraw/zinc/25/87/42/810258742.db2.gz BNSJNODDRAIFHL-UHFFFAOYSA-N -1 3 325.210 2.364 10 10 EECEHM