smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cc1F ZINC001596288565 983708387 /nfs/dbraw/zinc/70/83/87/983708387.db2.gz PCXDTKZNLPVBFY-SFHVURJKSA-N -1 3 346.402 3.293 20 10 EGCDHM COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)c2c1 ZINC001599635665 994284817 /nfs/dbraw/zinc/28/48/17/994284817.db2.gz CJQAGOUFXDMDIY-FUHWJXTLSA-N -1 3 341.407 3.097 20 10 EGCDHM COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)c2c1 ZINC001599635665 994284828 /nfs/dbraw/zinc/28/48/28/994284828.db2.gz CJQAGOUFXDMDIY-FUHWJXTLSA-N -1 3 341.407 3.097 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)[O-])c1[O-] ZINC001599421035 997594315 /nfs/dbraw/zinc/59/43/15/997594315.db2.gz YGKJSOQSWWVWQC-LRDDRELGSA-N -1 3 327.808 3.177 20 10 EGCDHM COc1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1C ZINC001599571305 998369117 /nfs/dbraw/zinc/36/91/17/998369117.db2.gz ONQCFZXCGNZFBW-SFHVURJKSA-N -1 3 344.367 3.001 20 10 EGCDHM CCCCc1nc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)no1 ZINC000069707600 203040945 /nfs/dbraw/zinc/04/09/45/203040945.db2.gz BKFARLMWKDMEQZ-MRXNPFEDSA-N -1 3 345.443 3.299 20 10 EGCDHM Cc1cc(C)[n-]c(=NNC(=S)Nc2ccc(F)c(Cl)c2)n1 ZINC000007556703 274694494 /nfs/dbraw/zinc/69/44/94/274694494.db2.gz NPUVILXPTRRMPB-UHFFFAOYSA-N -1 3 325.800 3.199 20 10 EGCDHM CC(C)(C)Oc1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000180883877 455260217 /nfs/dbraw/zinc/26/02/17/455260217.db2.gz OCWGPSHKVUPADX-UHFFFAOYSA-N -1 3 331.372 3.163 20 10 EGCDHM CN(C)c1ccc(CN(C)Cn2[n-]c(C(C)(C)C)nc2=S)cc1 ZINC000012543213 453369087 /nfs/dbraw/zinc/36/90/87/453369087.db2.gz SSTWKYVUWLFVQL-UHFFFAOYSA-N -1 3 333.505 3.394 20 10 EGCDHM CC(C)N(C(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1)C(C)C ZINC000070976190 454191374 /nfs/dbraw/zinc/19/13/74/454191374.db2.gz ROPNMEPDDKNRLK-SFHVURJKSA-N -1 3 348.487 3.019 20 10 EGCDHM COC[C@@H](NCc1cc(Cl)cc(OC)c1[O-])c1ccc(C)o1 ZINC000184709659 455433575 /nfs/dbraw/zinc/43/35/75/455433575.db2.gz IOALORSWTOJESY-CYBMUJFWSA-N -1 3 325.792 3.433 20 10 EGCDHM CCCN(Cc1ccccc1O)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000123294934 454622402 /nfs/dbraw/zinc/62/24/02/454622402.db2.gz ZSDQHOCUXIFPCL-UHFFFAOYSA-N -1 3 342.395 3.109 20 10 EGCDHM CN(Cc1ccccc1[O-])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000111234985 454859084 /nfs/dbraw/zinc/85/90/84/454859084.db2.gz DLPRJIKUSVITEF-MRXNPFEDSA-N -1 3 330.815 3.283 20 10 EGCDHM CCOc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000112583578 454891781 /nfs/dbraw/zinc/89/17/81/454891781.db2.gz WTRLMKVUYVYIRY-CQSZACIVSA-N -1 3 328.412 3.250 20 10 EGCDHM Cc1cccc(NC(=O)N2CCN(Cc3ccccc3[O-])CC2)c1 ZINC000179566750 455058436 /nfs/dbraw/zinc/05/84/36/455058436.db2.gz ZPLMDSMWBIEBRM-UHFFFAOYSA-N -1 3 325.412 3.050 20 10 EGCDHM CCCN(CC(=O)Nc1ccccc1OC)Cc1cc(F)ccc1[O-] ZINC000179884552 455094142 /nfs/dbraw/zinc/09/41/42/455094142.db2.gz OCJVANZYMQHPPW-UHFFFAOYSA-N -1 3 346.402 3.391 20 10 EGCDHM CCCOc1ccc(CN2CCCN(CC(F)(F)F)CC2)c([O-])c1 ZINC000129483408 455113805 /nfs/dbraw/zinc/11/38/05/455113805.db2.gz IQCLUFUUYRFIHR-UHFFFAOYSA-N -1 3 346.393 3.251 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC(C)(C)C ZINC000157353945 455187044 /nfs/dbraw/zinc/18/70/44/455187044.db2.gz ZCDSFDAZSAZBGP-UHFFFAOYSA-N -1 3 329.238 3.485 20 10 EGCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)c([O-])c1O ZINC000158545839 455311644 /nfs/dbraw/zinc/31/16/44/455311644.db2.gz WPWNGXZAHOBFMS-GDBMZVCRSA-N -1 3 327.380 3.056 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCCCO1 ZINC000159814236 455406043 /nfs/dbraw/zinc/40/60/43/455406043.db2.gz QUHWHQSRECEULY-CQSZACIVSA-N -1 3 342.233 3.072 20 10 EGCDHM COc1cccc(C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c1 ZINC000182264750 455475423 /nfs/dbraw/zinc/47/54/23/455475423.db2.gz YXRJJHDLRFGHAL-UHFFFAOYSA-N -1 3 341.407 3.435 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)c([O-])c1O ZINC000182508554 455529110 /nfs/dbraw/zinc/52/91/10/455529110.db2.gz IFTBCSUJFKQRCY-LBPRGKRZSA-N -1 3 326.396 3.139 20 10 EGCDHM Cc1ccc([C@@H]2CSCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000185674696 455593685 /nfs/dbraw/zinc/59/36/85/455593685.db2.gz QVYSPJZGNYZGIL-HNNXBMFYSA-N -1 3 329.421 3.337 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000268311388 455647774 /nfs/dbraw/zinc/64/77/74/455647774.db2.gz XQRSWBBWYFVSOQ-NVXWUHKLSA-N -1 3 347.386 3.415 20 10 EGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC1(C2CC2)CCC1 ZINC000277867973 455690862 /nfs/dbraw/zinc/69/08/62/455690862.db2.gz FOYIGVWZOPJPFG-UHFFFAOYSA-N -1 3 348.830 3.390 20 10 EGCDHM COc1c([O-])c(CN(C)[C@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000278221188 455790092 /nfs/dbraw/zinc/79/00/92/455790092.db2.gz LNWNXQNIIMFDAJ-LLVKDONJSA-N -1 3 332.356 3.208 20 10 EGCDHM Cc1cc(CN[C@@H](C)c2cc(F)ccc2[O-])nc(N2CCCC2)n1 ZINC000293655348 455793644 /nfs/dbraw/zinc/79/36/44/455793644.db2.gz LOEKKZGVNIOOIA-ZDUSSCGKSA-N -1 3 330.407 3.081 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CC[C@@]3(C2)OCc2ccccc23)c1[O-] ZINC000186696114 455821228 /nfs/dbraw/zinc/82/12/28/455821228.db2.gz ZGQMLBCKTRWWEA-FQEVSTJZSA-N -1 3 341.382 3.365 20 10 EGCDHM COc1cccc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278886341 455851363 /nfs/dbraw/zinc/85/13/63/455851363.db2.gz OWWUPLYHLYOOIT-LLVKDONJSA-N -1 3 332.356 3.168 20 10 EGCDHM [O-]c1cccc(Cl)c1CNc1nnc(C2CCOCC2)s1 ZINC000295809581 455860514 /nfs/dbraw/zinc/86/05/14/455860514.db2.gz CSTICPYGNFDNLO-UHFFFAOYSA-N -1 3 325.821 3.403 20 10 EGCDHM CC(C)CC(=O)Nc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000187022005 455863417 /nfs/dbraw/zinc/86/34/17/455863417.db2.gz SAFRXRPAANXOLI-UHFFFAOYSA-N -1 3 342.395 3.012 20 10 EGCDHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1F ZINC000187061706 455867458 /nfs/dbraw/zinc/86/74/58/455867458.db2.gz DVGJVMFXXCDJOI-UHFFFAOYSA-N -1 3 339.388 3.266 20 10 EGCDHM COCCN(Cc1cccnc1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000289445657 456125418 /nfs/dbraw/zinc/12/54/18/456125418.db2.gz MKKXBGBNSTZUHB-UHFFFAOYSA-N -1 3 336.819 3.098 20 10 EGCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000273049490 456159376 /nfs/dbraw/zinc/15/93/76/456159376.db2.gz YDTNPEIPYDDVEB-JNDILOIQSA-N -1 3 349.427 3.322 20 10 EGCDHM Cc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(F)cc3[O-])C2=O)cc1 ZINC000189088624 456223009 /nfs/dbraw/zinc/22/30/09/456223009.db2.gz VBACMGYFODPMSM-RDTXWAMCSA-N -1 3 342.414 3.291 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OC)c(OC)c2)c1 ZINC000273354365 456224990 /nfs/dbraw/zinc/22/49/90/456224990.db2.gz CGYPQVUFVJSUNP-LLVKDONJSA-N -1 3 331.368 3.369 20 10 EGCDHM C[C@H](NCc1ccc2c(c1)OCCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273466034 456233207 /nfs/dbraw/zinc/23/32/07/456233207.db2.gz DSCWSRXGLCOBAS-LBPRGKRZSA-N -1 3 344.367 3.313 20 10 EGCDHM C[C@@H](CF)NCc1cc(Br)cc(Br)c1[O-] ZINC000290155228 456253859 /nfs/dbraw/zinc/25/38/59/456253859.db2.gz LLPIVLMMRALLDH-LURJTMIESA-N -1 3 341.018 3.365 20 10 EGCDHM Cc1cc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)ncn1 ZINC000301220014 456825107 /nfs/dbraw/zinc/82/51/07/456825107.db2.gz ADABNMXOFASISH-OAHLLOKOSA-N -1 3 332.835 3.221 20 10 EGCDHM Cc1ccc(C(=O)N2CCC(C(=O)c3cccs3)CC2)c([O-])c1O ZINC000378565942 457410348 /nfs/dbraw/zinc/41/03/48/457410348.db2.gz QUGCKSAXOKRYMN-UHFFFAOYSA-N -1 3 345.420 3.203 20 10 EGCDHM CN(C)c1ccc(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000365675418 457769381 /nfs/dbraw/zinc/76/93/81/457769381.db2.gz VJXQEGOALVNZQF-UHFFFAOYSA-N -1 3 340.423 3.184 20 10 EGCDHM COc1ccc(C[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000366156352 457795378 /nfs/dbraw/zinc/79/53/78/457795378.db2.gz JFWVWYUTSMADLR-HNNXBMFYSA-N -1 3 341.407 3.201 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000377628617 458507039 /nfs/dbraw/zinc/50/70/39/458507039.db2.gz OEQUICCTXMEAMK-ZDUSSCGKSA-N -1 3 341.732 3.464 20 10 EGCDHM CCOC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000529666013 459833155 /nfs/dbraw/zinc/83/31/55/459833155.db2.gz IRRMPQURUBKDKF-IBGZPJMESA-N -1 3 327.424 3.297 20 10 EGCDHM CCOC[C@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000529666014 459833291 /nfs/dbraw/zinc/83/32/91/459833291.db2.gz IRRMPQURUBKDKF-LJQANCHMSA-N -1 3 327.424 3.297 20 10 EGCDHM CC[C@H](N[C@@H](C)c1nncn1C)c1cc(Br)ccc1[O-] ZINC000037017379 522702396 /nfs/dbraw/zinc/70/23/96/522702396.db2.gz IJTPXQGYCQUZBO-CABZTGNLSA-N -1 3 339.237 3.085 20 10 EGCDHM CSc1nnc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)[n-]1 ZINC000727486640 574670532 /nfs/dbraw/zinc/67/05/32/574670532.db2.gz NVIJGVSWPHPXFA-UHFFFAOYSA-N -1 3 327.413 3.186 20 10 EGCDHM CSc1n[n-]c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000727486640 574670535 /nfs/dbraw/zinc/67/05/35/574670535.db2.gz NVIJGVSWPHPXFA-UHFFFAOYSA-N -1 3 327.413 3.186 20 10 EGCDHM CSc1nc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[n-]1 ZINC000727486640 574670536 /nfs/dbraw/zinc/67/05/36/574670536.db2.gz NVIJGVSWPHPXFA-UHFFFAOYSA-N -1 3 327.413 3.186 20 10 EGCDHM COC(=O)CN(Cc1ccccc1F)Cc1cc(Cl)ccc1[O-] ZINC000731845365 575211905 /nfs/dbraw/zinc/21/19/05/575211905.db2.gz WXMCZAMJBZTZNJ-UHFFFAOYSA-N -1 3 337.778 3.360 20 10 EGCDHM O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cc([O-])cs1 ZINC000731909949 575218345 /nfs/dbraw/zinc/21/83/45/575218345.db2.gz MGTVTYJQMAFTBM-INIZCTEOSA-N -1 3 345.420 3.364 20 10 EGCDHM CCOC(=O)Cn1ccc2cc(NC(=O)c3cc([O-])cs3)ccc21 ZINC000732279330 575253958 /nfs/dbraw/zinc/25/39/58/575253958.db2.gz JLESJCYYPHGGHM-UHFFFAOYSA-N -1 3 344.392 3.224 20 10 EGCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)N(C)c1ccccc1 ZINC000732353486 575261631 /nfs/dbraw/zinc/26/16/31/575261631.db2.gz RBEJMASOSBODDX-HNNXBMFYSA-N -1 3 333.409 3.298 20 10 EGCDHM CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc([O-])cs1 ZINC000732354607 575261946 /nfs/dbraw/zinc/26/19/46/575261946.db2.gz XCHXGNOSTYMGMD-UHFFFAOYSA-N -1 3 347.436 3.438 20 10 EGCDHM COc1ccc2ccc([O-])c(CN3CCO[C@@H](C(F)(F)F)C3)c2c1 ZINC000739876125 576513098 /nfs/dbraw/zinc/51/30/98/576513098.db2.gz RTLHQGNWWJCFLV-MRXNPFEDSA-N -1 3 341.329 3.317 20 10 EGCDHM C[C@@H](N[C@@H](C)c1csnn1)c1cc(Br)ccc1[O-] ZINC000840886041 1321171293 /nfs/dbraw/zinc/17/12/93/1321171293.db2.gz MGHZIWKDXFSFJV-SFYZADRCSA-N -1 3 328.235 3.418 20 10 EGCDHM Cc1ccc(C)n1-c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000029389664 1291328868 /nfs/dbraw/zinc/32/88/68/1291328868.db2.gz OACJLZYYWFYWRH-UHFFFAOYSA-N -1 3 349.316 3.483 20 10 EGCDHM Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000029389664 1291328877 /nfs/dbraw/zinc/32/88/77/1291328877.db2.gz OACJLZYYWFYWRH-UHFFFAOYSA-N -1 3 349.316 3.483 20 10 EGCDHM O=C(Nc1ccc(Br)cc1F)c1cccc(O)c1[O-] ZINC000126171318 1293526866 /nfs/dbraw/zinc/52/68/66/1293526866.db2.gz LKROOIJIKBAUSS-UHFFFAOYSA-N -1 3 326.121 3.252 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000139742891 1293845919 /nfs/dbraw/zinc/84/59/19/1293845919.db2.gz DPLFSTYJYMKCCE-UHFFFAOYSA-N -1 3 326.824 3.098 20 10 EGCDHM CCOC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000155421992 1294096537 /nfs/dbraw/zinc/09/65/37/1294096537.db2.gz PYSLJDPVKNYLRI-GFCCVEGCSA-N -1 3 339.819 3.023 20 10 EGCDHM Cc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c([O-])c1O ZINC000177669652 1294685541 /nfs/dbraw/zinc/68/55/41/1294685541.db2.gz RFIJOJVNSQRYDU-UHFFFAOYSA-N -1 3 326.352 3.007 20 10 EGCDHM Cc1cc(Oc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)n[nH]1 ZINC000182601379 1295060743 /nfs/dbraw/zinc/06/07/43/1295060743.db2.gz QQYOUSHJKKBLOC-UHFFFAOYSA-N -1 3 339.351 3.482 20 10 EGCDHM CCc1ccc([C@@H](COC)NCc2cc(F)cc(C(C)=O)c2[O-])o1 ZINC000184830292 1295221043 /nfs/dbraw/zinc/22/10/43/1295221043.db2.gz NJRLHCBHSUSDRD-MRXNPFEDSA-N -1 3 335.375 3.367 20 10 EGCDHM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000187154599 1295371562 /nfs/dbraw/zinc/37/15/62/1295371562.db2.gz YVYYARHFKSPXSW-BEFAXECRSA-N -1 3 341.407 3.304 20 10 EGCDHM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cccc(O)c1[O-] ZINC000193157957 1295837659 /nfs/dbraw/zinc/83/76/59/1295837659.db2.gz PHSCIEDWAJISDY-ZDUSSCGKSA-N -1 3 347.239 3.409 20 10 EGCDHM CC(C)(C)OC(=O)N1CC(NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000228776870 1296155036 /nfs/dbraw/zinc/15/50/36/1296155036.db2.gz SJMPLZRPHOVAQI-UHFFFAOYSA-N -1 3 347.242 3.408 20 10 EGCDHM CC(C)(C)[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000709000154 1298248508 /nfs/dbraw/zinc/24/85/08/1298248508.db2.gz KQTWPWBPAWHVSJ-CQSZACIVSA-N -1 3 328.250 3.402 20 10 EGCDHM CC(C)CC(=O)N1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000877774225 1299549603 /nfs/dbraw/zinc/54/96/03/1299549603.db2.gz FSMDNQAQHAHDAL-UHFFFAOYSA-N -1 3 342.842 3.265 20 10 EGCDHM CNC(=O)CCOc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000757593345 1300690328 /nfs/dbraw/zinc/69/03/28/1300690328.db2.gz MCINQJGXFWUTJX-GFCCVEGCSA-N -1 3 332.375 3.219 20 10 EGCDHM C[S@@](=O)C[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000765638603 1302294733 /nfs/dbraw/zinc/29/47/33/1302294733.db2.gz MVCBLZCRFMHHDM-IVZQSRNASA-N -1 3 341.835 3.394 20 10 EGCDHM C[S@@](=O)C[C@H](NCc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000765638606 1302294788 /nfs/dbraw/zinc/29/47/88/1302294788.db2.gz MVCBLZCRFMHHDM-OYHNWAKOSA-N -1 3 341.835 3.394 20 10 EGCDHM CCCNC(=O)CN(CCC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768929776 1303015968 /nfs/dbraw/zinc/01/59/68/1303015968.db2.gz KTBOWILVQOCLGY-UHFFFAOYSA-N -1 3 333.259 3.437 20 10 EGCDHM Cc1nc(N2CCN(Cc3c([O-])cccc3Cl)CC2)sc1C ZINC000769499316 1303127585 /nfs/dbraw/zinc/12/75/85/1303127585.db2.gz RSJNVKTWMSQLQD-UHFFFAOYSA-N -1 3 337.876 3.441 20 10 EGCDHM COC(=O)[C@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1[O-] ZINC000769516933 1303133057 /nfs/dbraw/zinc/13/30/57/1303133057.db2.gz VNYNXIQQVDNJRU-QGZVFWFLSA-N -1 3 331.799 3.318 20 10 EGCDHM CC[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524621 1303979954 /nfs/dbraw/zinc/97/99/54/1303979954.db2.gz UDPXOOJLZACGJD-OLZOCXBDSA-N -1 3 344.242 3.207 20 10 EGCDHM Cc1nnc([C@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)o1 ZINC000775673428 1304011512 /nfs/dbraw/zinc/01/15/12/1304011512.db2.gz VHPHDHPYYADKTG-JTQLQIEISA-N -1 3 325.771 3.256 20 10 EGCDHM O=C1CCCCN1C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775725343 1304022180 /nfs/dbraw/zinc/02/21/80/1304022180.db2.gz MJRBUCBYECZDSH-UHFFFAOYSA-N -1 3 340.826 3.162 20 10 EGCDHM O=C(NCc1ccccc1OC1CCCC1)c1cccc(O)c1[O-] ZINC000776335009 1304135900 /nfs/dbraw/zinc/13/59/00/1304135900.db2.gz GKVLJYPSJXSZBL-UHFFFAOYSA-N -1 3 327.380 3.349 20 10 EGCDHM O=C(N[C@@H]1CCc2c1cccc2Br)c1cccc(O)c1[O-] ZINC000776644804 1304181610 /nfs/dbraw/zinc/18/16/10/1304181610.db2.gz FKMGEROWFGKYMU-CYBMUJFWSA-N -1 3 348.196 3.278 20 10 EGCDHM CCOc1ccccc1N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000778989603 1304514983 /nfs/dbraw/zinc/51/49/83/1304514983.db2.gz ZHKJHTFAVAAKBB-UHFFFAOYSA-N -1 3 330.403 3.252 20 10 EGCDHM CC1CCN(c2ccc(CNC(=O)c3ccc(O)cc3[O-])cc2)CC1 ZINC000780931586 1304753203 /nfs/dbraw/zinc/75/32/03/1304753203.db2.gz APYWNDPQBBFXDE-UHFFFAOYSA-N -1 3 340.423 3.264 20 10 EGCDHM O=C(NCCCCOc1ccc(Cl)cc1)c1cccc(O)c1[O-] ZINC000790485532 1306335003 /nfs/dbraw/zinc/33/50/03/1306335003.db2.gz OBLLWPOCAJLLNX-UHFFFAOYSA-N -1 3 335.787 3.340 20 10 EGCDHM Cc1ccc(F)c(-c2cc(NC(=O)c3cccc(O)c3[O-])n[nH]2)c1 ZINC000790953791 1308894729 /nfs/dbraw/zinc/89/47/29/1308894729.db2.gz MSCQVLNNXVAQIU-UHFFFAOYSA-N -1 3 327.315 3.188 20 10 EGCDHM Cc1cnccc1OC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894580479 1308965168 /nfs/dbraw/zinc/96/51/68/1308965168.db2.gz DHIBAZSHMVERKP-UHFFFAOYSA-N -1 3 334.366 3.417 20 10 EGCDHM CC(C)(O)[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895470246 1309354105 /nfs/dbraw/zinc/35/41/05/1309354105.db2.gz HFGASTWYRZOLPF-NSHDSACASA-N -1 3 346.240 3.277 20 10 EGCDHM [O-]c1ccc2ccncc2c1CN1CCn2c(cnc2C(F)(F)F)C1 ZINC000902388353 1317571463 /nfs/dbraw/zinc/57/14/63/1317571463.db2.gz ORBRVEMAXDDWAW-UHFFFAOYSA-N -1 3 348.328 3.172 20 10 EGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C(=O)OC(C)C ZINC000808066547 1317619080 /nfs/dbraw/zinc/61/90/80/1317619080.db2.gz QPSFQEDRPVKHTA-UHFFFAOYSA-N -1 3 349.408 3.067 20 10 EGCDHM O=C1CCC(=O)N1c1cc(NCc2c([O-])cccc2Cl)ccc1F ZINC000809720902 1317875878 /nfs/dbraw/zinc/87/58/78/1317875878.db2.gz JLHIPELUBGTSHQ-UHFFFAOYSA-N -1 3 348.761 3.450 20 10 EGCDHM COc1c([O-])c(CN2CCC[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000809728803 1317880787 /nfs/dbraw/zinc/88/07/87/1317880787.db2.gz IIMNLIOBWGXMAL-AWEZNQCLSA-N -1 3 329.356 3.041 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN(CCCO)Cc1ccccn1 ZINC000809746005 1317886905 /nfs/dbraw/zinc/88/69/05/1317886905.db2.gz JCKVNWMZQBWBBL-UHFFFAOYSA-N -1 3 341.238 3.479 20 10 EGCDHM C[C@H](O)c1ncc(CNCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000809775557 1317897139 /nfs/dbraw/zinc/89/71/39/1317897139.db2.gz DNQKHIDLPSSERS-ZETCQYMHSA-N -1 3 333.240 3.499 20 10 EGCDHM CCc1nnc(CNCc2cc(C)cc(Br)c2[O-])s1 ZINC000810176525 1317968809 /nfs/dbraw/zinc/96/88/09/1317968809.db2.gz OKKWJEGFMBAOEL-UHFFFAOYSA-N -1 3 342.262 3.167 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](CO)c3ccccc32)c1[O-] ZINC000814678300 1318797907 /nfs/dbraw/zinc/79/79/07/1318797907.db2.gz AIHOKXZHJJOQMY-ZDUSSCGKSA-N -1 3 331.799 3.344 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCN(c2ccc(O)cc2)CC1 ZINC000816480447 1319162727 /nfs/dbraw/zinc/16/27/27/1319162727.db2.gz NIUVNLCKALJTIE-UHFFFAOYSA-N -1 3 336.794 3.213 20 10 EGCDHM COc1cc[n-]c(=NNC(=S)Nc2ccc(Cl)cc2Cl)n1 ZINC000914704815 1319366107 /nfs/dbraw/zinc/36/61/07/1319366107.db2.gz VJLNYWAYVSESIS-UHFFFAOYSA-N -1 3 344.227 3.106 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(N(C)C(=O)C3CC3)cc2)c([O-])c1O ZINC000928479919 1328334441 /nfs/dbraw/zinc/33/44/41/1328334441.db2.gz VWQTWJJXYHYDQO-UHFFFAOYSA-N -1 3 340.379 3.031 20 10 EGCDHM Cc1noc([C@H](C)N(C)Cc2c([O-])cccc2Br)n1 ZINC000862405608 1329483605 /nfs/dbraw/zinc/48/36/05/1329483605.db2.gz HPSQXTIPOYNQDM-QMMMGPOBSA-N -1 3 326.194 3.039 20 10 EGCDHM Cc1cnc2c(c1)CN(Cc1cc(Br)ccc1[O-])CC2 ZINC001203650517 1370201054 /nfs/dbraw/zinc/20/10/54/1370201054.db2.gz VXEMIRGQMURJEV-UHFFFAOYSA-N -1 3 333.229 3.416 20 10 EGCDHM O=S(=O)([N-]Cc1cc2ccccc2cc1O)c1ccc(Cl)cn1 ZINC001196266164 1368580142 /nfs/dbraw/zinc/58/01/42/1368580142.db2.gz BRLJSEVPFDHGFV-UHFFFAOYSA-N -1 3 348.811 3.072 20 10 EGCDHM O=C1CCN(Cc2cc(Br)ccc2[O-])[C@H]2CCCC[C@@H]12 ZINC001203635699 1370195752 /nfs/dbraw/zinc/19/57/52/1370195752.db2.gz DVXVGUNRNHHVQV-KGLIPLIRSA-N -1 3 338.245 3.488 20 10 EGCDHM CCn1ncc2c1[C@@H](COC)CN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231868852 1376330295 /nfs/dbraw/zinc/33/02/95/1376330295.db2.gz YAGCABJKUOUNPL-OAHLLOKOSA-N -1 3 349.862 3.316 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(c3ccc(F)cc3)C(=O)C2)cc1Cl ZINC001231870378 1376331041 /nfs/dbraw/zinc/33/10/41/1376331041.db2.gz XEKHDTLNDMKZMP-UHFFFAOYSA-N -1 3 348.805 3.342 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(c3ccccc3)C(=O)C2)cc1Cl ZINC001231870669 1376331299 /nfs/dbraw/zinc/33/12/99/1376331299.db2.gz NDXZLOVPYATLLD-UHFFFAOYSA-N -1 3 330.815 3.203 20 10 EGCDHM Cc1ccnc(OC2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC001231913220 1376349904 /nfs/dbraw/zinc/34/99/04/1376349904.db2.gz IOKYMXIZJOLYHE-UHFFFAOYSA-N -1 3 333.819 3.187 20 10 EGCDHM [O-]c1cc(O)c(CN2CC[C@@H](N3CCCC3)C(F)(F)C2)cc1Cl ZINC001232263513 1376426384 /nfs/dbraw/zinc/42/63/84/1376426384.db2.gz ADGGXTCDGPHTHM-OAHLLOKOSA-N -1 3 346.805 3.057 20 10 EGCDHM [O-]c1c(CN2CCN3CCc4ccccc4[C@@H]3C2)ccc(F)c1F ZINC001233078034 1376564517 /nfs/dbraw/zinc/56/45/17/1376564517.db2.gz DNMXLTNWBVNJCS-KRWDZBQOSA-N -1 3 330.378 3.085 20 10 EGCDHM Cc1ccnc(O[C@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)c1 ZINC001233079635 1376564553 /nfs/dbraw/zinc/56/45/53/1376564553.db2.gz IFUOQZSJAOGIMP-AWEZNQCLSA-N -1 3 334.366 3.417 20 10 EGCDHM CC(C)(C)OC(=O)C[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335940 1376619610 /nfs/dbraw/zinc/61/96/10/1376619610.db2.gz RTVSOCBMXNZRTA-LLVKDONJSA-N -1 3 327.371 3.224 20 10 EGCDHM [O-]c1c(CN2CCC(O)(C(F)(F)F)CC2)cccc1C(F)(F)F ZINC001233415570 1376641641 /nfs/dbraw/zinc/64/16/41/1376641641.db2.gz BCTPIZKDSGIHLS-UHFFFAOYSA-N -1 3 343.267 3.300 20 10 EGCDHM CC(C)C(=O)N(C)C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237804000 1376986917 /nfs/dbraw/zinc/98/69/17/1376986917.db2.gz XWWRTOUVMMWFGX-UHFFFAOYSA-N -1 3 342.842 3.264 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])cccc2F)CCN(C(=O)OC(C)(C)C)C1 ZINC001137831926 1377624169 /nfs/dbraw/zinc/62/41/69/1377624169.db2.gz SMWJIZANQMXUBB-ZDUSSCGKSA-N -1 3 338.423 3.220 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2Cc1cccc(F)c1[O-] ZINC001138123800 1377680875 /nfs/dbraw/zinc/68/08/75/1377680875.db2.gz MBYOMJFBCJBBTK-LSDHHAIUSA-N -1 3 336.407 3.115 20 10 EGCDHM CC[N@H+](Cc1cn(CC(=O)[O-])c2ccccc12)Cc1ccccc1[O-] ZINC001138196072 1377689520 /nfs/dbraw/zinc/68/95/20/1377689520.db2.gz QVPUUIPCJAIPBZ-UHFFFAOYSA-N -1 3 338.407 3.454 20 10 EGCDHM CC[N@@H+](Cc1cn(CC(=O)[O-])c2ccccc12)Cc1ccccc1[O-] ZINC001138196072 1377689521 /nfs/dbraw/zinc/68/95/21/1377689521.db2.gz QVPUUIPCJAIPBZ-UHFFFAOYSA-N -1 3 338.407 3.454 20 10 EGCDHM O=C1CCN(Cc2c([O-])cccc2Br)[C@H]2CCCC[C@H]12 ZINC001140098586 1378007378 /nfs/dbraw/zinc/00/73/78/1378007378.db2.gz GIHCWNMXUBAVIR-FZMZJTMJSA-N -1 3 338.245 3.488 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCC[C@H]1c1cnccn1 ZINC001140100786 1378007484 /nfs/dbraw/zinc/00/74/84/1378007484.db2.gz BRIXOPRWBIHJQE-AWEZNQCLSA-N -1 3 334.217 3.282 20 10 EGCDHM CCn1ncc2c1[C@H](COC)CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140467531 1378069044 /nfs/dbraw/zinc/06/90/44/1378069044.db2.gz SHTOAORDIGYHNO-AWEZNQCLSA-N -1 3 335.835 3.008 20 10 EGCDHM CCCCN1CC[C@]2(CCCN2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273374713 1378100849 /nfs/dbraw/zinc/10/08/49/1378100849.db2.gz QHFMNEVYXYIVMF-GOSISDBHSA-N -1 3 338.398 3.037 20 10 EGCDHM C[C@H]1C[C@@H](CO)N(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367691 1378311921 /nfs/dbraw/zinc/31/19/21/1378311921.db2.gz MJYLXYYLWXOXLO-KWQFWETISA-N -1 3 334.641 3.011 20 10 EGCDHM [O-]c1cc(F)c(F)cc1CN1CCC(O)(Cc2ccccc2)CC1 ZINC001142502005 1378449427 /nfs/dbraw/zinc/44/94/27/1378449427.db2.gz GEVXZYKQSSDLCW-UHFFFAOYSA-N -1 3 333.378 3.240 20 10 EGCDHM CC(C)(C)OC(=O)C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142525128 1378453019 /nfs/dbraw/zinc/45/30/19/1378453019.db2.gz YOOHBHAQPCHVED-UHFFFAOYSA-N -1 3 327.371 3.224 20 10 EGCDHM CO[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])[C@H](C)C1 ZINC001144308679 1378715195 /nfs/dbraw/zinc/71/51/95/1378715195.db2.gz SVASCTDTXQMEBH-MWLCHTKSSA-N -1 3 332.213 3.293 20 10 EGCDHM [O-]c1cc2ccccc2cc1CN[C@@H](F)Oc1cncc(Cl)n1 ZINC001160205861 1382033767 /nfs/dbraw/zinc/03/37/67/1382033767.db2.gz AOONAEGKOBCJRF-MRXNPFEDSA-N -1 3 333.750 3.411 20 10 EGCDHM [O-]c1c(CNc2cc3nc[nH]c3cn2)cc(Cl)c2cccnc12 ZINC001168528246 1383930535 /nfs/dbraw/zinc/93/05/35/1383930535.db2.gz QUKWFYDTWAULSF-UHFFFAOYSA-N -1 3 325.759 3.477 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(Nc2ccccc2Cl)CC1 ZINC001321159161 1386826137 /nfs/dbraw/zinc/82/61/37/1386826137.db2.gz NVORMSNTDOFJHG-UHFFFAOYSA-N -1 3 346.814 3.468 20 10 EGCDHM Cc1cc(Br)cc(C[NH2+]C2CCC(C(=O)[O-])CC2)c1[O-] ZINC000840996647 979297983 /nfs/dbraw/zinc/29/79/83/979297983.db2.gz FNOWTIZEAKGWFR-UHFFFAOYSA-N -1 3 342.233 3.196 20 10 EGCDHM CN(C)c1cc(F)c(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1F ZINC001598306444 991264946 /nfs/dbraw/zinc/26/49/46/991264946.db2.gz WBRDTLRFARLRTF-CYBMUJFWSA-N -1 3 340.414 3.354 20 10 EGCDHM C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593285831 994638975 /nfs/dbraw/zinc/63/89/75/994638975.db2.gz KBGGOEUAAJCBAS-QLJPJBMISA-N -1 3 335.787 3.128 20 10 EGCDHM C[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593304587 994750061 /nfs/dbraw/zinc/75/00/61/994750061.db2.gz OMRVGAYAXIMXKV-GFCCVEGCSA-N -1 3 326.396 3.299 20 10 EGCDHM Cc1ccc([O-])c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000120830758 454352903 /nfs/dbraw/zinc/35/29/03/454352903.db2.gz LULFUBJWEXZWTL-MRXNPFEDSA-N -1 3 341.407 3.228 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)[C@H](CCO)c2ccccc2)c1[O-] ZINC000079465172 454420097 /nfs/dbraw/zinc/42/00/97/454420097.db2.gz RCTCEGLGGUWLRX-GOSISDBHSA-N -1 3 331.387 3.289 20 10 EGCDHM COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000137522125 454782041 /nfs/dbraw/zinc/78/20/41/454782041.db2.gz MZDYOZZNRKZEGY-AWEZNQCLSA-N -1 3 331.368 3.123 20 10 EGCDHM CC(C)c1nc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)no1 ZINC000109762081 454836038 /nfs/dbraw/zinc/83/60/38/454836038.db2.gz BTPYVSYEZQKFMY-OAHLLOKOSA-N -1 3 331.416 3.080 20 10 EGCDHM C[C@@H](NC(=O)CN(C)Cc1ccccc1[O-])c1ccccc1Cl ZINC000109769345 454836083 /nfs/dbraw/zinc/83/60/83/454836083.db2.gz CHNDSGHTKHGIOJ-CYBMUJFWSA-N -1 3 332.831 3.355 20 10 EGCDHM [O-]c1cccc(Cl)c1CNc1ccc(N2CCC(CO)CC2)cn1 ZINC000150926484 454913810 /nfs/dbraw/zinc/91/38/10/454913810.db2.gz RLSGTDNVLXOICY-UHFFFAOYSA-N -1 3 347.846 3.261 20 10 EGCDHM COc1cccc(-c2noc([C@H](C)NCc3ccccc3[O-])n2)c1 ZINC000174657929 455409738 /nfs/dbraw/zinc/40/97/38/455409738.db2.gz SYDDMNYURDJORA-LBPRGKRZSA-N -1 3 325.368 3.302 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c([O-])c1O ZINC000182607987 455551562 /nfs/dbraw/zinc/55/15/62/455551562.db2.gz ROSJWGCIVCCEHR-BXUZGUMPSA-N -1 3 333.409 3.070 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC(O)(c3ccccc3)CC2)c1[O-] ZINC000185477837 455563699 /nfs/dbraw/zinc/56/36/99/455563699.db2.gz FPOWFPUNFIZPNR-UHFFFAOYSA-N -1 3 343.398 3.218 20 10 EGCDHM C[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(F)cc1[O-] ZINC000186022537 455678041 /nfs/dbraw/zinc/67/80/41/455678041.db2.gz MSAKHFUZAZPWQN-NHYWBVRUSA-N -1 3 332.350 3.127 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2c(C)nc3sccn32)c1[O-] ZINC000268465160 455690074 /nfs/dbraw/zinc/69/00/74/455690074.db2.gz GARWHESHWHFYMK-UHFFFAOYSA-N -1 3 347.415 3.384 20 10 EGCDHM CC(C)N1CC[C@H](N[C@H](C)c2cc(Cl)c(Cl)cc2[O-])C1=O ZINC000192998242 455732919 /nfs/dbraw/zinc/73/29/19/455732919.db2.gz HIQVPEWWUZNZGB-RNCFNFMXSA-N -1 3 331.243 3.359 20 10 EGCDHM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cccc(O)c1[O-] ZINC000193064081 455739870 /nfs/dbraw/zinc/73/98/70/455739870.db2.gz QKKLGWHEXJFOIV-ZBEGNZNMSA-N -1 3 347.798 3.353 20 10 EGCDHM COc1c([O-])c(CNc2ccc([C@H]3CCOC3)cc2)ccc1[N+](=O)[O-] ZINC000293652100 455793167 /nfs/dbraw/zinc/79/31/67/455793167.db2.gz NBHRMXIDQBSSLM-AWEZNQCLSA-N -1 3 344.367 3.425 20 10 EGCDHM COc1c([O-])c(CN2CCC(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278274837 455804470 /nfs/dbraw/zinc/80/44/70/455804470.db2.gz SFCWIPQRJMDUAI-UHFFFAOYSA-N -1 3 334.294 3.083 20 10 EGCDHM CO[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1(C)C ZINC000294718477 455825028 /nfs/dbraw/zinc/82/50/28/455825028.db2.gz CIWGXOVCBLICOL-CYBMUJFWSA-N -1 3 328.796 3.201 20 10 EGCDHM COc1c([O-])c(CN[C@@H](C)c2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000278507186 455837545 /nfs/dbraw/zinc/83/75/45/455837545.db2.gz OZNQQHOAHMIOGB-VIFPVBQESA-N -1 3 338.310 3.438 20 10 EGCDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187699702 455940631 /nfs/dbraw/zinc/94/06/31/455940631.db2.gz SOZSKBXQLHAEKX-VIFPVBQESA-N -1 3 338.310 3.438 20 10 EGCDHM Cc1ccc(C(=O)N2CCCN(C)c3ccc(F)cc32)c([O-])c1O ZINC000272736592 456055953 /nfs/dbraw/zinc/05/59/53/456055953.db2.gz LADJZWQCNFWMOQ-UHFFFAOYSA-N -1 3 330.359 3.032 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1COc2ccccc2[C@H]1O ZINC000288671337 456102551 /nfs/dbraw/zinc/10/25/51/456102551.db2.gz WKWAKOREZLYSIO-CZUORRHYSA-N -1 3 340.206 3.283 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000273382871 456227345 /nfs/dbraw/zinc/22/73/45/456227345.db2.gz ISOBMXWOLDFAKU-RYUDHWBXSA-N -1 3 344.367 3.499 20 10 EGCDHM CCCOc1ncccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273427552 456230526 /nfs/dbraw/zinc/23/05/26/456230526.db2.gz UQXBKLCUSKHUOR-GFCCVEGCSA-N -1 3 331.372 3.335 20 10 EGCDHM COc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1OC ZINC000274923498 456267362 /nfs/dbraw/zinc/26/73/62/456267362.db2.gz YFXQJHYPQFJUIB-CQSZACIVSA-N -1 3 343.379 3.092 20 10 EGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cc1 ZINC000290507542 456348710 /nfs/dbraw/zinc/34/87/10/456348710.db2.gz LIRBQUMCRJOFMX-UHFFFAOYSA-N -1 3 335.425 3.426 20 10 EGCDHM C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000290919841 456467612 /nfs/dbraw/zinc/46/76/12/456467612.db2.gz NTDKSBQBRBMRHU-HUUCEWRRSA-N -1 3 345.464 3.067 20 10 EGCDHM C[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000276928768 456623561 /nfs/dbraw/zinc/62/35/61/456623561.db2.gz NTFBPYCASCUULQ-LLVKDONJSA-N -1 3 326.387 3.112 20 10 EGCDHM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000374785684 457706975 /nfs/dbraw/zinc/70/69/75/457706975.db2.gz WQNJPFXWWDSGSX-GFCCVEGCSA-N -1 3 348.834 3.107 20 10 EGCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000366589657 457861830 /nfs/dbraw/zinc/86/18/30/457861830.db2.gz RCSLCONURMAKRH-LISAXSMJSA-N -1 3 348.874 3.172 20 10 EGCDHM O=C(NCc1nc(-c2ccccc2F)cs1)c1cccc(O)c1[O-] ZINC000373249862 458442802 /nfs/dbraw/zinc/44/28/02/458442802.db2.gz LOFXFRXFWSYTOS-UHFFFAOYSA-N -1 3 344.367 3.290 20 10 EGCDHM COC(=O)CN(CCOc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000731845024 575212029 /nfs/dbraw/zinc/21/20/29/575212029.db2.gz NZZMBMMSZXHWLR-UHFFFAOYSA-N -1 3 349.814 3.100 20 10 EGCDHM COc1ccc(-c2nnc(CN(C)Cc3ccccc3[O-])o2)cc1 ZINC000731842863 575211500 /nfs/dbraw/zinc/21/15/00/575211500.db2.gz MCPDHCPMAFBNTF-UHFFFAOYSA-N -1 3 325.368 3.083 20 10 EGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ccc(Cl)cc1 ZINC000731909832 575218386 /nfs/dbraw/zinc/21/83/86/575218386.db2.gz LLHCXKANBYJGQW-MRVPVSSYSA-N -1 3 325.773 3.291 20 10 EGCDHM O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cc([O-])cs1 ZINC000732259901 575250162 /nfs/dbraw/zinc/25/01/62/575250162.db2.gz ZQZWMCAIJMEMAJ-UHFFFAOYSA-N -1 3 344.436 3.010 20 10 EGCDHM Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000732278426 575251082 /nfs/dbraw/zinc/25/10/82/575251082.db2.gz MLNGWONKJWFIBX-AWEZNQCLSA-N -1 3 327.409 3.318 20 10 EGCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000732352713 575261393 /nfs/dbraw/zinc/26/13/93/575261393.db2.gz CWIVYXGGENSZJA-LNSITVRQSA-N -1 3 339.457 3.330 20 10 EGCDHM Cc1ccc(CN(C(=O)COC(=O)c2cc([O-])cs2)C2CC2)cc1 ZINC000732353085 575261506 /nfs/dbraw/zinc/26/15/06/575261506.db2.gz LPIFGEWHKBIZBR-UHFFFAOYSA-N -1 3 345.420 3.110 20 10 EGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccc(OC(F)F)cc1 ZINC000732353555 575261674 /nfs/dbraw/zinc/26/16/74/575261674.db2.gz IAMWNLWOBDUWML-MRVPVSSYSA-N -1 3 342.319 3.483 20 10 EGCDHM CCc1ccc([C@@H](C)NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)cc1 ZINC000732354054 575261714 /nfs/dbraw/zinc/26/17/14/575261714.db2.gz ZAZFZSUQKBVMBZ-NEPJUHHUSA-N -1 3 347.436 3.439 20 10 EGCDHM O=C(OCc1cccc(C(=O)N2CCCCC2)c1)c1cc([O-])cs1 ZINC000732354751 575261921 /nfs/dbraw/zinc/26/19/21/575261921.db2.gz YJGYESAKWVPODQ-UHFFFAOYSA-N -1 3 345.420 3.437 20 10 EGCDHM CCc1ccc([C@@H](C)NC(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000732354691 575261978 /nfs/dbraw/zinc/26/19/78/575261978.db2.gz QOFPJCFUDQIUSZ-LLVKDONJSA-N -1 3 333.409 3.050 20 10 EGCDHM CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1cc([O-])cs1 ZINC000732354907 575262018 /nfs/dbraw/zinc/26/20/18/575262018.db2.gz WANKSGRYGGUNME-UHFFFAOYSA-N -1 3 347.436 3.358 20 10 EGCDHM CCOc1ccc(N(C)Cc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000736644188 575997690 /nfs/dbraw/zinc/99/76/90/575997690.db2.gz GSOFFLNIOFZLFS-UHFFFAOYSA-N -1 3 327.363 3.041 20 10 EGCDHM CCOc1ccc(N(C)Cc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000736644188 575997693 /nfs/dbraw/zinc/99/76/93/575997693.db2.gz GSOFFLNIOFZLFS-UHFFFAOYSA-N -1 3 327.363 3.041 20 10 EGCDHM Cc1nccc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000742406207 576780459 /nfs/dbraw/zinc/78/04/59/576780459.db2.gz GPSLMLBNICKAPE-OAHLLOKOSA-N -1 3 332.835 3.221 20 10 EGCDHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(Cl)cc(C)c1O ZINC000826186202 609481075 /nfs/dbraw/zinc/48/10/75/609481075.db2.gz JODANCBBFCXHAO-UHFFFAOYSA-N -1 3 345.790 3.155 20 10 EGCDHM COc1ccc(C(=O)N(C)C)cc1NCc1c([O-])cccc1Cl ZINC000121219502 1293361434 /nfs/dbraw/zinc/36/14/34/1293361434.db2.gz AVMJEHKWFGKUTD-UHFFFAOYSA-N -1 3 334.803 3.368 20 10 EGCDHM COc1cc(Br)cc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126513101 1293536419 /nfs/dbraw/zinc/53/64/19/1293536419.db2.gz OWCOYRCSUXTHPX-UHFFFAOYSA-N -1 3 338.157 3.121 20 10 EGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c(C)c(C)c1O ZINC000187060836 1295365217 /nfs/dbraw/zinc/36/52/17/1295365217.db2.gz YDPSMNBKGRHPKT-NSHDSACASA-N -1 3 347.436 3.442 20 10 EGCDHM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1cccc(O)c1[O-] ZINC000187110701 1295367062 /nfs/dbraw/zinc/36/70/62/1295367062.db2.gz SANCYSRFVRXZFN-UHFFFAOYSA-N -1 3 328.349 3.179 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](OCc2ccccn2)C1 ZINC000877646027 1299452660 /nfs/dbraw/zinc/45/26/60/1299452660.db2.gz ZZHBTXUFWPDKTJ-CYBMUJFWSA-N -1 3 336.794 3.371 20 10 EGCDHM CCOC(=O)[C@]1(NCc2cc(F)ccc2[O-])CCc2ccccc21 ZINC000877674066 1299470312 /nfs/dbraw/zinc/47/03/12/1299470312.db2.gz GWIGOODHWOEFPR-IBGZPJMESA-N -1 3 329.371 3.026 20 10 EGCDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000751533687 1299563638 /nfs/dbraw/zinc/56/36/38/1299563638.db2.gz PXTKJLCXGULAJQ-UHFFFAOYSA-N -1 3 330.340 3.227 20 10 EGCDHM Cc1cc(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])ncn1 ZINC000756776466 1300565488 /nfs/dbraw/zinc/56/54/88/1300565488.db2.gz PJBKXVGMPVUQKS-VIFPVBQESA-N -1 3 340.196 3.243 20 10 EGCDHM CCO[C@H](C)c1noc(CN(C)Cc2cc(Cl)ccc2[O-])n1 ZINC000769501785 1303129396 /nfs/dbraw/zinc/12/93/96/1303129396.db2.gz BNSFFENBVXNTNE-SNVBAGLBSA-N -1 3 325.796 3.158 20 10 EGCDHM CCN(CC)c1ccc(CN(C)C(=O)c2c([O-])cccc2O)cc1 ZINC000770381446 1303258412 /nfs/dbraw/zinc/25/84/12/1303258412.db2.gz RLVRUMLHXTWVPF-UHFFFAOYSA-N -1 3 328.412 3.216 20 10 EGCDHM COc1c([O-])c(CNc2ccc3c(c2)C[C@H](OC)C3)ccc1[N+](=O)[O-] ZINC000775061168 1303898387 /nfs/dbraw/zinc/89/83/87/1303898387.db2.gz WEEQHRMBKOKQQJ-OAHLLOKOSA-N -1 3 344.367 3.035 20 10 EGCDHM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000888896558 1304316738 /nfs/dbraw/zinc/31/67/38/1304316738.db2.gz PCOLTEXJKROYOZ-SNUQEOBHSA-N -1 3 327.380 3.089 20 10 EGCDHM CCn1c2cc(F)ccc2nc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000781021549 1304761277 /nfs/dbraw/zinc/76/12/77/1304761277.db2.gz QYFUBKOXBLTAJI-UHFFFAOYSA-N -1 3 329.331 3.167 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccc(C)cc3)CC2)c1[O-] ZINC000784387438 1305239737 /nfs/dbraw/zinc/23/97/37/1305239737.db2.gz GWXXUBPWCBOGHQ-UHFFFAOYSA-N -1 3 342.414 3.365 20 10 EGCDHM COc1ccc(O)c([C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787132371 1305694901 /nfs/dbraw/zinc/69/49/01/1305694901.db2.gz ZHWIRFXYJGSWGY-LBPRGKRZSA-N -1 3 347.386 3.446 20 10 EGCDHM O=C(c1ccccc1)N1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893952731 1306144863 /nfs/dbraw/zinc/14/48/63/1306144863.db2.gz SLSRJHWZROCLQU-UHFFFAOYSA-N -1 3 346.377 3.019 20 10 EGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)ccc1O ZINC000790346611 1306305507 /nfs/dbraw/zinc/30/55/07/1306305507.db2.gz PGIQGPNRZJNVBY-UHFFFAOYSA-N -1 3 347.314 3.242 20 10 EGCDHM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cccc(O)c1[O-] ZINC000790704300 1308854086 /nfs/dbraw/zinc/85/40/86/1308854086.db2.gz PJHHLDCEWIKUKD-SNVBAGLBSA-N -1 3 339.313 3.478 20 10 EGCDHM CCCC[N@H+](CC(=O)[N-]OCc1ccccc1)Cc1ccccc1[O-] ZINC000801594610 1310971509 /nfs/dbraw/zinc/97/15/09/1310971509.db2.gz HVNYKOZKRLMOJQ-UHFFFAOYSA-N -1 3 342.439 3.242 20 10 EGCDHM CCCC[N@@H+](CC(=O)[N-]OCc1ccccc1)Cc1ccccc1[O-] ZINC000801594610 1310971515 /nfs/dbraw/zinc/97/15/15/1310971515.db2.gz HVNYKOZKRLMOJQ-UHFFFAOYSA-N -1 3 342.439 3.242 20 10 EGCDHM COc1c([O-])c(CNCc2c(F)cc(F)cc2F)ccc1[N+](=O)[O-] ZINC000816651204 1319201069 /nfs/dbraw/zinc/20/10/69/1319201069.db2.gz YVEUTPBREUEWBS-UHFFFAOYSA-N -1 3 342.273 3.016 20 10 EGCDHM Cc1noc([C@H](C)N(C)Cc2ccc(Br)cc2[O-])n1 ZINC000826535454 1320386161 /nfs/dbraw/zinc/38/61/61/1320386161.db2.gz XFOVGBDGRRYBIB-QMMMGPOBSA-N -1 3 326.194 3.039 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(Cc2cnn(C)c2)CC(C)C)c1[O-] ZINC000839132829 1320877826 /nfs/dbraw/zinc/87/78/26/1320877826.db2.gz LXQWHPXNNUMVGK-UHFFFAOYSA-N -1 3 333.407 3.126 20 10 EGCDHM COc1ccc(C[C@@H]2CCCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000846473899 1321787729 /nfs/dbraw/zinc/78/77/29/1321787729.db2.gz JARCOTNPPOAMSM-HNNXBMFYSA-N -1 3 341.407 3.344 20 10 EGCDHM C[C@@H](NCc1nnn(C(C)(C)C)n1)c1ccc2ccccc2c1[O-] ZINC000848561227 1321976250 /nfs/dbraw/zinc/97/62/50/1321976250.db2.gz RRIAVCVRGGADRR-GFCCVEGCSA-N -1 3 325.416 3.138 20 10 EGCDHM CCOC(=O)CN(Cc1c([O-])cccc1Br)C1CCC1 ZINC000862329784 1329475514 /nfs/dbraw/zinc/47/55/14/1329475514.db2.gz MMFUJZCLEYOEHA-UHFFFAOYSA-N -1 3 342.233 3.072 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C2CC2)O1 ZINC000862350640 1329476830 /nfs/dbraw/zinc/47/68/30/1329476830.db2.gz CYXICTJKJMZMCI-MEBBXXQBSA-N -1 3 326.234 3.154 20 10 EGCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2nnc(C(F)(F)F)n21 ZINC001203664351 1370206974 /nfs/dbraw/zinc/20/69/74/1370206974.db2.gz AKZRCSTWLNVOEO-QMMMGPOBSA-N -1 3 346.740 3.233 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc3scnc3c2)no1 ZINC001215325383 1373197918 /nfs/dbraw/zinc/19/79/18/1373197918.db2.gz PXFRTQMHOCJTRO-UHFFFAOYSA-N -1 3 327.321 3.130 20 10 EGCDHM O=C1CCCC[C@@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226386103 1375250570 /nfs/dbraw/zinc/25/05/70/1375250570.db2.gz XSELZNYJPGYDOB-HNNXBMFYSA-N -1 3 336.343 3.058 20 10 EGCDHM C[C@@H](Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O)C(F)(F)F ZINC001229186488 1375783473 /nfs/dbraw/zinc/78/34/73/1375783473.db2.gz KQKSYTSZEOUYAL-MRVPVSSYSA-N -1 3 336.265 3.497 20 10 EGCDHM C[C@H](Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O)C(F)(F)F ZINC001229186489 1375783572 /nfs/dbraw/zinc/78/35/72/1375783572.db2.gz KQKSYTSZEOUYAL-QMMMGPOBSA-N -1 3 336.265 3.497 20 10 EGCDHM COC1(c2ccccc2)CC[NH+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231566119 1376267282 /nfs/dbraw/zinc/26/72/82/1376267282.db2.gz REDNQIUJNHGIMM-UHFFFAOYSA-N -1 3 341.407 3.228 20 10 EGCDHM COc1cccnc1N1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001231870012 1376331866 /nfs/dbraw/zinc/33/18/66/1376331866.db2.gz FXTTUPJKIXHKQV-UHFFFAOYSA-N -1 3 347.846 3.080 20 10 EGCDHM COC(=O)c1cnc2c(c1)CN(Cc1cc(Cl)c(C)cc1[O-])CC2 ZINC001231872361 1376334197 /nfs/dbraw/zinc/33/41/97/1376334197.db2.gz YPOSFDLDRLFFBD-UHFFFAOYSA-N -1 3 346.814 3.094 20 10 EGCDHM COC(=O)CN(Cc1ccccc1)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269743 1376427351 /nfs/dbraw/zinc/42/73/51/1376427351.db2.gz JLWDFSHSQKWXFQ-UHFFFAOYSA-N -1 3 349.814 3.229 20 10 EGCDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@@]2(C1)CCCOC2 ZINC001235304835 1376867127 /nfs/dbraw/zinc/86/71/27/1376867127.db2.gz DBUBYISFJGUXKL-OAHLLOKOSA-N -1 3 344.224 3.296 20 10 EGCDHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2c([O-])cccc2F)C1 ZINC001137840159 1377628835 /nfs/dbraw/zinc/62/88/35/1377628835.db2.gz SAMUMVZSJISPNS-CHWSQXEVSA-N -1 3 338.423 3.266 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2[O-])CC12CC2 ZINC001138128460 1377681580 /nfs/dbraw/zinc/68/15/80/1377681580.db2.gz LLXMTDSQEXIESS-UHFFFAOYSA-N -1 3 336.407 3.117 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCO[C@H](c2ccncc2)C1 ZINC001140103281 1378008454 /nfs/dbraw/zinc/00/84/54/1378008454.db2.gz HRTLXOCDESCJAU-INIZCTEOSA-N -1 3 349.228 3.123 20 10 EGCDHM COC(=O)c1cccc2c1CCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140464337 1378068603 /nfs/dbraw/zinc/06/86/03/1378068603.db2.gz LRFYLTQOYRYAGL-UHFFFAOYSA-N -1 3 331.799 3.391 20 10 EGCDHM CN(CCCNC(=O)OC(C)(C)C)Cc1c([O-])cc(F)cc1F ZINC001140580593 1378089482 /nfs/dbraw/zinc/08/94/82/1378089482.db2.gz AGYZGCOUVAVAKG-UHFFFAOYSA-N -1 3 330.375 3.017 20 10 EGCDHM CC(C)(C)OC(=O)NC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142502263 1378449516 /nfs/dbraw/zinc/44/95/16/1378449516.db2.gz LQGLSHHKCDRKIZ-UHFFFAOYSA-N -1 3 342.386 3.160 20 10 EGCDHM CN(C)c1cncc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157724373 1381015252 /nfs/dbraw/zinc/01/52/52/1381015252.db2.gz MWMGKNMFUVAERF-UHFFFAOYSA-N -1 3 329.791 3.062 20 10 EGCDHM Cn1nnc2ccc(NCc3cc(Cl)c4cccnc4c3[O-])cc21 ZINC001168522702 1383929675 /nfs/dbraw/zinc/92/96/75/1383929675.db2.gz IIRJRHVNGAHEKG-UHFFFAOYSA-N -1 3 339.786 3.488 20 10 EGCDHM COc1cnc(OC)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168528355 1383930354 /nfs/dbraw/zinc/93/03/54/1383930354.db2.gz UJFZAEJMKJBCFH-UHFFFAOYSA-N -1 3 346.774 3.013 20 10 EGCDHM Nc1cc(Cl)nnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527907 1383930372 /nfs/dbraw/zinc/93/03/72/1383930372.db2.gz OMLKMVGUEAFDGI-UHFFFAOYSA-N -1 3 336.182 3.232 20 10 EGCDHM O=c1cnc(NCc2cc3ccccc3cc2[O-])cn1CC(F)(F)F ZINC001171407335 1384514375 /nfs/dbraw/zinc/51/43/75/1384514375.db2.gz NWSZLBOEUGTVEL-UHFFFAOYSA-N -1 3 349.312 3.277 20 10 EGCDHM Cc1cc(Cl)cc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c1[O-] ZINC000826267515 1429066816 /nfs/dbraw/zinc/06/68/16/1429066816.db2.gz JEGNELMVWZIREW-UHFFFAOYSA-N -1 3 343.818 3.166 20 10 EGCDHM Cc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c1[O-] ZINC000826267515 1429066821 /nfs/dbraw/zinc/06/68/21/1429066821.db2.gz JEGNELMVWZIREW-UHFFFAOYSA-N -1 3 343.818 3.166 20 10 EGCDHM COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000322103862 970847023 /nfs/dbraw/zinc/84/70/23/970847023.db2.gz HVHNBZQFNVNJNX-GFCCVEGCSA-N -1 3 341.835 3.377 20 10 EGCDHM COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000322103862 970847029 /nfs/dbraw/zinc/84/70/29/970847029.db2.gz HVHNBZQFNVNJNX-GFCCVEGCSA-N -1 3 341.835 3.377 20 10 EGCDHM CC[C@H](C)C[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)[O-] ZINC001594953017 982675973 /nfs/dbraw/zinc/67/59/73/982675973.db2.gz LRQQZGLOCUAWCU-ZANVPECISA-N -1 3 344.249 3.442 20 10 EGCDHM C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593210937 994257154 /nfs/dbraw/zinc/25/71/54/994257154.db2.gz UHYQUXCLPLDYSO-BLLLJJGKSA-N -1 3 331.416 3.052 20 10 EGCDHM C[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245978 994444743 /nfs/dbraw/zinc/44/47/43/994444743.db2.gz FPLPFKJCXGJXHS-BXUZGUMPSA-N -1 3 349.814 3.171 20 10 EGCDHM COc1cccc(C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C(=O)[O-])c1 ZINC001607321618 1126233188 /nfs/dbraw/zinc/23/31/88/1126233188.db2.gz KOIVFJCOVVKJOL-MRXNPFEDSA-N -1 3 349.814 3.148 20 10 EGCDHM COCc1ccc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)o1 ZINC000160169797 455434464 /nfs/dbraw/zinc/43/44/64/455434464.db2.gz VQEAAINHYHYKKP-INIZCTEOSA-N -1 3 331.412 3.313 20 10 EGCDHM C[C@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000134269976 454522061 /nfs/dbraw/zinc/52/20/61/454522061.db2.gz BGRPCMVBQPMBEQ-BLLLJJGKSA-N -1 3 336.863 3.172 20 10 EGCDHM CCCCCc1nnc(NC(=O)CN(C)Cc2ccccc2[O-])s1 ZINC000137278685 454774831 /nfs/dbraw/zinc/77/48/31/454774831.db2.gz GKZJFPZPPJEHFK-UHFFFAOYSA-N -1 3 348.472 3.047 20 10 EGCDHM C[C@@H](CNC(=O)[C@@H](C)N(C)Cc1ccccc1[O-])c1ccccc1 ZINC000109769533 454835155 /nfs/dbraw/zinc/83/51/55/454835155.db2.gz QKZYWSIVJULJKG-JKSUJKDBSA-N -1 3 326.440 3.132 20 10 EGCDHM Cc1noc([C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000191248458 455471118 /nfs/dbraw/zinc/47/11/18/455471118.db2.gz JEZDLORBZLMEPX-SNVBAGLBSA-N -1 3 325.771 3.256 20 10 EGCDHM Cc1ccc(C(=O)N2CCSC[C@H]2c2ccccc2)c([O-])c1O ZINC000182454559 455517041 /nfs/dbraw/zinc/51/70/41/455517041.db2.gz BMRAQTAECAOFSQ-HNNXBMFYSA-N -1 3 329.421 3.337 20 10 EGCDHM CCN(Cc1cnn(C)c1C)Cc1cc(Br)ccc1[O-] ZINC000269000369 455759202 /nfs/dbraw/zinc/75/92/02/455759202.db2.gz JPGZGXVYULAQRJ-UHFFFAOYSA-N -1 3 338.249 3.219 20 10 EGCDHM COc1c([O-])c(CN2CCc3sccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278225570 455790980 /nfs/dbraw/zinc/79/09/80/455790980.db2.gz MDWVHYPVPHBRDR-JTQLQIEISA-N -1 3 334.397 3.490 20 10 EGCDHM CCN(C)C(=O)CN(Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000272038524 455828765 /nfs/dbraw/zinc/82/87/65/455828765.db2.gz OHLBKZZEBKNXGC-MRXNPFEDSA-N -1 3 326.440 3.434 20 10 EGCDHM C[C@@H](NCc1ccc2c(n1)CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000278376212 455833620 /nfs/dbraw/zinc/83/36/20/455833620.db2.gz DTLLMMNYLFIIIE-GFCCVEGCSA-N -1 3 327.384 3.425 20 10 EGCDHM COc1c([O-])c(CNC2(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000278478675 455837706 /nfs/dbraw/zinc/83/77/06/455837706.db2.gz IWAWDDGYRUYMQC-UHFFFAOYSA-N -1 3 332.331 3.227 20 10 EGCDHM Cc1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c([O-])c1O ZINC000278989462 455855151 /nfs/dbraw/zinc/85/51/51/455855151.db2.gz QDEZGXDMKVMNNF-ZETCQYMHSA-N -1 3 346.330 3.373 20 10 EGCDHM CNC(=O)COc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])c(C)c1 ZINC000281205691 456164883 /nfs/dbraw/zinc/16/48/83/456164883.db2.gz SHLXJRFMMFQQKW-LBPRGKRZSA-N -1 3 332.375 3.138 20 10 EGCDHM CCc1ccc([C@H](COC)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])o1 ZINC000273614576 456240416 /nfs/dbraw/zinc/24/04/16/456240416.db2.gz WYGNJPYXOPOBLL-WBMJQRKESA-N -1 3 347.411 3.373 20 10 EGCDHM COCCN1C(=O)CCc2cc(NCc3cc(F)ccc3[O-])ccc21 ZINC000275154279 456271450 /nfs/dbraw/zinc/27/14/50/456271450.db2.gz UXZKBYQAHGXRMU-UHFFFAOYSA-N -1 3 344.386 3.069 20 10 EGCDHM CC[C@@H](N[C@@H](C)c1ncn(C)n1)c1cc(Br)ccc1[O-] ZINC000275764647 456306402 /nfs/dbraw/zinc/30/64/02/456306402.db2.gz UAVDMVKAQQKWJJ-JOYOIKCWSA-N -1 3 339.237 3.085 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)c([O-])c1O ZINC000281886787 456350491 /nfs/dbraw/zinc/35/04/91/456350491.db2.gz XVCMDEPSNFUXRH-CKNLXJGOSA-N -1 3 345.439 3.216 20 10 EGCDHM CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])[nH]1 ZINC000277342993 456786327 /nfs/dbraw/zinc/78/63/27/456786327.db2.gz VDOXEALQCMKAIA-QJPTWQEYSA-N -1 3 346.431 3.222 20 10 EGCDHM CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])n[nH]1 ZINC000277342993 456786329 /nfs/dbraw/zinc/78/63/29/456786329.db2.gz VDOXEALQCMKAIA-QJPTWQEYSA-N -1 3 346.431 3.222 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CNc1ncccc1N1CCOCC1 ZINC000370080590 457533927 /nfs/dbraw/zinc/53/39/27/457533927.db2.gz GLPZAEMXCIWTFB-UHFFFAOYSA-N -1 3 337.782 3.028 20 10 EGCDHM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000374789246 457707480 /nfs/dbraw/zinc/70/74/80/457707480.db2.gz ULYPKBQFBZNDDF-GFCCVEGCSA-N -1 3 348.834 3.107 20 10 EGCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc([O-])ccc1Cl ZINC000433360308 457820395 /nfs/dbraw/zinc/82/03/95/457820395.db2.gz DVUNEBVWZHMJST-UHFFFAOYSA-N -1 3 332.787 3.151 20 10 EGCDHM CON(C(=O)c1cccc(O)c1[O-])[C@H]1CCCOc2ccccc21 ZINC000376092937 458191232 /nfs/dbraw/zinc/19/12/32/458191232.db2.gz GQXIBGISWVCHOO-AWEZNQCLSA-N -1 3 329.352 3.015 20 10 EGCDHM CN(Cc1cccc(Br)c1)C(=O)c1cc([O-])cs1 ZINC000732268036 575250776 /nfs/dbraw/zinc/25/07/76/575250776.db2.gz CTIOZWIVLPXWJO-UHFFFAOYSA-N -1 3 326.215 3.488 20 10 EGCDHM Cc1ccccc1CN1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732269734 575251399 /nfs/dbraw/zinc/25/13/99/575251399.db2.gz LEYHKWDWIVYDDJ-UHFFFAOYSA-N -1 3 330.453 3.110 20 10 EGCDHM O=C(NCc1ccc(F)cc1Br)c1cc([O-])cs1 ZINC000732276411 575252945 /nfs/dbraw/zinc/25/29/45/575252945.db2.gz IXGJXNQICKQBOA-UHFFFAOYSA-N -1 3 330.178 3.285 20 10 EGCDHM COc1ccc(CNC(=O)c2cc([O-])cs2)c(C(F)(F)F)c1 ZINC000732282045 575254194 /nfs/dbraw/zinc/25/41/94/575254194.db2.gz IKPJCBPDXBQXGR-UHFFFAOYSA-N -1 3 331.315 3.411 20 10 EGCDHM Cc1ccc(N2CCC[C@@H](OC(=O)c3cc([O-])cs3)C2=O)cc1 ZINC000745001862 576838284 /nfs/dbraw/zinc/83/82/84/576838284.db2.gz COJMSHRODXUFAR-CQSZACIVSA-N -1 3 331.393 3.115 20 10 EGCDHM O=C([O-])c1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000833328564 601603256 /nfs/dbraw/zinc/60/32/56/601603256.db2.gz OUNVMXGCKUJQJS-SFHVURJKSA-N -1 3 341.407 3.272 20 10 EGCDHM O=C([O-])c1cccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000833328564 601603258 /nfs/dbraw/zinc/60/32/58/601603258.db2.gz OUNVMXGCKUJQJS-SFHVURJKSA-N -1 3 341.407 3.272 20 10 EGCDHM CC1=C(C(=O)[O-])C[C@H](CN(Cc2ccco2)Cc2ccccc2O)O1 ZINC000833579170 605359510 /nfs/dbraw/zinc/35/95/10/605359510.db2.gz AYNJUHGIOAETSL-MRXNPFEDSA-N -1 3 343.379 3.135 20 10 EGCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1ccccc1Br ZINC000085203936 1292718161 /nfs/dbraw/zinc/71/81/61/1292718161.db2.gz IUNZYGMSSRMUJL-UHFFFAOYSA-N -1 3 346.177 3.095 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCN(c3cccc(C)c3)CC2)c1[O-] ZINC000097395028 1292960671 /nfs/dbraw/zinc/96/06/71/1292960671.db2.gz GUUZGUDIPXPZDD-UHFFFAOYSA-N -1 3 342.414 3.365 20 10 EGCDHM COCCN(Cc1c([O-])ccc2ccc(OC)cc21)CC(F)F ZINC000101539660 1292967255 /nfs/dbraw/zinc/96/72/55/1292967255.db2.gz VLWLBLJCUWIWKT-UHFFFAOYSA-N -1 3 325.355 3.268 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c([O-])c1O ZINC000182133008 1295021650 /nfs/dbraw/zinc/02/16/50/1295021650.db2.gz ZNSJPYNNSMDGMY-UHFFFAOYSA-N -1 3 327.258 3.399 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)c([O-])c1O ZINC000182945926 1295087619 /nfs/dbraw/zinc/08/76/19/1295087619.db2.gz GZLRRXPMWWIJLD-UHFFFAOYSA-N -1 3 337.379 3.423 20 10 EGCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2nc(C(C)(C)C)no2)c1[O-] ZINC000185183447 1295247269 /nfs/dbraw/zinc/24/72/69/1295247269.db2.gz SBWXKNFQHRIXBF-SECBINFHSA-N -1 3 335.379 3.265 20 10 EGCDHM C[C@@H](NCc1n[nH]cc1Br)c1cc(Cl)ccc1[O-] ZINC000756584011 1300526922 /nfs/dbraw/zinc/52/69/22/1300526922.db2.gz DFJLZAWXKQFSGD-SSDOTTSWSA-N -1 3 330.613 3.382 20 10 EGCDHM CCc1cc(CNCc2cc(Cl)cc(Br)c2[O-])[nH]n1 ZINC000882997619 1302197976 /nfs/dbraw/zinc/19/79/76/1302197976.db2.gz YPLOWAZHKHDIRO-UHFFFAOYSA-N -1 3 344.640 3.383 20 10 EGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])CCN1Cc1cccc(F)c1 ZINC000769482540 1303121782 /nfs/dbraw/zinc/12/17/82/1303121782.db2.gz FVYRSTUUBJASDB-UHFFFAOYSA-N -1 3 348.805 3.029 20 10 EGCDHM CCNC(=O)COc1ccc(N[C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886566438 1303505034 /nfs/dbraw/zinc/50/50/34/1303505034.db2.gz QHSRUVZWGMSTFI-LBPRGKRZSA-N -1 3 332.375 3.219 20 10 EGCDHM COc1c([O-])c(CNc2cccc(NC(C)=O)c2C)ccc1[N+](=O)[O-] ZINC000774914088 1303877752 /nfs/dbraw/zinc/87/77/52/1303877752.db2.gz KZWQQYAQCOHPCS-UHFFFAOYSA-N -1 3 345.355 3.188 20 10 EGCDHM CCn1ncc2ccc(NCc3ccc([N+](=O)[O-])c(OC)c3[O-])cc21 ZINC000775047749 1303894803 /nfs/dbraw/zinc/89/48/03/1303894803.db2.gz BOHVLXXRLFLSKO-UHFFFAOYSA-N -1 3 342.355 3.291 20 10 EGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(C)c(C)c1O ZINC000775292207 1303934942 /nfs/dbraw/zinc/93/49/42/1303934942.db2.gz VRSQTOHKGDLWFR-UHFFFAOYSA-N -1 3 347.436 3.443 20 10 EGCDHM COCc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000775291181 1303935509 /nfs/dbraw/zinc/93/55/09/1303935509.db2.gz DDKXFMAKCTXWTM-UHFFFAOYSA-N -1 3 335.425 3.265 20 10 EGCDHM CC[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524620 1303978960 /nfs/dbraw/zinc/97/89/60/1303978960.db2.gz UDPXOOJLZACGJD-CHWSQXEVSA-N -1 3 344.242 3.207 20 10 EGCDHM CCCC(=O)NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775656685 1304006592 /nfs/dbraw/zinc/00/65/92/1304006592.db2.gz ZDXALNWRXBPNRT-UHFFFAOYSA-N -1 3 328.815 3.065 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)c([O-])c1O ZINC000780969000 1304756252 /nfs/dbraw/zinc/75/62/52/1304756252.db2.gz NKLMANNWDCSEEY-ZDUSSCGKSA-N -1 3 337.379 3.464 20 10 EGCDHM CCCOc1ccc([C@H](C)NC(=O)c2cccc(O)c2[O-])cc1OC ZINC000790539743 1306349499 /nfs/dbraw/zinc/34/94/99/1306349499.db2.gz SHRCGTUYIYHDCC-LBPRGKRZSA-N -1 3 345.395 3.386 20 10 EGCDHM O=C1C[C@@H](NCc2c([O-])ccc(Cl)c2F)CN1C1CCCCC1 ZINC000792175265 1309137423 /nfs/dbraw/zinc/13/74/23/1309137423.db2.gz QFPFHJXMUXTKBQ-LLVKDONJSA-N -1 3 340.826 3.208 20 10 EGCDHM C[C@@H](CO)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895135580 1309204500 /nfs/dbraw/zinc/20/45/00/1309204500.db2.gz CLCOHGRFQYNSHS-JTQLQIEISA-N -1 3 346.240 3.134 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCO[C@@H](c2ccco2)C1 ZINC000824907400 1320295041 /nfs/dbraw/zinc/29/50/41/1320295041.db2.gz YHNJHSOFUHDACZ-OAHLLOKOSA-N -1 3 338.201 3.321 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)c1nnc(C)[nH]1 ZINC000839497218 1320928886 /nfs/dbraw/zinc/92/88/86/1320928886.db2.gz BAKBWZQXGWMHRT-SECBINFHSA-N -1 3 339.237 3.164 20 10 EGCDHM C[C@H](NCc1ccnc(N(C)C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815601173 1319025802 /nfs/dbraw/zinc/02/58/02/1319025802.db2.gz PFGUHDDTIBGTEF-JTQLQIEISA-N -1 3 340.349 3.118 20 10 EGCDHM C[C@@H](N[C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1nnnn1C1CC1 ZINC000815620558 1319029792 /nfs/dbraw/zinc/02/97/92/1319029792.db2.gz URTQJGDGUCYBAO-DTWKUNHWSA-N -1 3 341.337 3.144 20 10 EGCDHM Cc1cc([O-])c(CN(CCO)Cc2cccnc2Cl)cc1Cl ZINC000825754051 1320360395 /nfs/dbraw/zinc/36/03/95/1320360395.db2.gz YUWGMZAJNHYDQQ-UHFFFAOYSA-N -1 3 341.238 3.397 20 10 EGCDHM C[C@H](N[C@@H](C)c1cc(Br)c(F)cc1[O-])c1ccn(C)n1 ZINC000840818759 1321155814 /nfs/dbraw/zinc/15/58/14/1321155814.db2.gz ZLNLROUTSDQAST-IUCAKERBSA-N -1 3 342.212 3.439 20 10 EGCDHM C[C@@]1(Cc2ccccc2F)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000843993881 1321565228 /nfs/dbraw/zinc/56/52/28/1321565228.db2.gz ILDSDDRXXKUXFE-IBGZPJMESA-N -1 3 329.371 3.474 20 10 EGCDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1SC)C1CCCC1 ZINC000849310009 1322111001 /nfs/dbraw/zinc/11/10/01/1322111001.db2.gz QAIAEHCIOSVLRL-AWEZNQCLSA-N -1 3 345.486 3.061 20 10 EGCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853096354 1323280524 /nfs/dbraw/zinc/28/05/24/1323280524.db2.gz YLQIJECQXJQXMY-UHFFFAOYSA-N -1 3 342.399 3.322 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000859816229 1329084929 /nfs/dbraw/zinc/08/49/29/1329084929.db2.gz YPOYLYLONKHOFF-ZWNOBZJWSA-N -1 3 342.233 3.006 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000859816229 1329084935 /nfs/dbraw/zinc/08/49/35/1329084935.db2.gz YPOYLYLONKHOFF-ZWNOBZJWSA-N -1 3 342.233 3.006 20 10 EGCDHM C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1cccc(O)c1[O-] ZINC000855894581 1325426406 /nfs/dbraw/zinc/42/64/06/1325426406.db2.gz GYEMRMYBQCUZNJ-DIFFPNOSSA-N -1 3 347.798 3.353 20 10 EGCDHM Cc1cc(=O)[nH]c(C(C)(C)NCc2cc(Cl)cc(F)c2[O-])n1 ZINC000862432647 1329486205 /nfs/dbraw/zinc/48/62/05/1329486205.db2.gz LYKXMRIRDQTJSX-UHFFFAOYSA-N -1 3 325.771 3.014 20 10 EGCDHM CC(C)n1ccnc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001199415504 1369221814 /nfs/dbraw/zinc/22/18/14/1369221814.db2.gz MZGQPQHSXPPMPB-UHFFFAOYSA-N -1 3 344.802 3.301 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(n2cnnc2)CC1 ZINC001203581925 1370177978 /nfs/dbraw/zinc/17/79/78/1370177978.db2.gz GTPDGGVZLYIEPG-UHFFFAOYSA-N -1 3 327.215 3.128 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCO[C@H](c2ccccn2)C1 ZINC001203645809 1370199734 /nfs/dbraw/zinc/19/97/34/1370199734.db2.gz SYMSGQBBPBGVCP-INIZCTEOSA-N -1 3 349.228 3.123 20 10 EGCDHM Cc1cc(Br)cnc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145837 1373177976 /nfs/dbraw/zinc/17/79/76/1373177976.db2.gz MEDXMQNLJHWXGT-UHFFFAOYSA-N -1 3 348.156 3.281 20 10 EGCDHM C[C@H](Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)c1cnccn1 ZINC001226382441 1375249800 /nfs/dbraw/zinc/24/98/00/1375249800.db2.gz BUQDZDGXLOIGSQ-NSHDSACASA-N -1 3 346.342 3.098 20 10 EGCDHM O=C([O-])c1ccc(O)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC001231560666 1376266219 /nfs/dbraw/zinc/26/62/19/1376266219.db2.gz NQHQCHOPZYLEOI-UHFFFAOYSA-N -1 3 346.814 3.066 20 10 EGCDHM CCOC[C@H]1Cn2nccc2CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231869604 1376330429 /nfs/dbraw/zinc/33/04/29/1376330429.db2.gz SASOWHLTEOGBQM-CQSZACIVSA-N -1 3 349.862 3.219 20 10 EGCDHM COc1cc2c(cn1)CCN(Cc1cc(Cl)c(OC)cc1[O-])C2 ZINC001232271180 1376427064 /nfs/dbraw/zinc/42/70/64/1376427064.db2.gz PNRCHLUGWIEHHF-UHFFFAOYSA-N -1 3 334.803 3.016 20 10 EGCDHM C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc(F)c(F)c1[O-] ZINC001233077326 1376563578 /nfs/dbraw/zinc/56/35/78/1376563578.db2.gz JCGCQHSVSPPNNP-CQSZACIVSA-N -1 3 332.394 3.377 20 10 EGCDHM CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335941 1376618070 /nfs/dbraw/zinc/61/80/70/1376618070.db2.gz RTVSOCBMXNZRTA-NSHDSACASA-N -1 3 327.371 3.224 20 10 EGCDHM CC(C)N(CCNC(=O)OC(C)(C)C)Cc1c([O-])ccc(F)c1F ZINC001233335046 1376619880 /nfs/dbraw/zinc/61/98/80/1376619880.db2.gz FSSMTTDSLOUMHB-UHFFFAOYSA-N -1 3 344.402 3.406 20 10 EGCDHM CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1c([O-])cccc1F ZINC001137832806 1377624557 /nfs/dbraw/zinc/62/45/57/1377624557.db2.gz INFBTTOHZLZVNO-UHFFFAOYSA-N -1 3 336.407 3.020 20 10 EGCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Cl)Cc2c1cnn2CC ZINC001140338549 1378048632 /nfs/dbraw/zinc/04/86/32/1378048632.db2.gz LHSRUVZXHZJSNR-CYBMUJFWSA-N -1 3 349.862 3.398 20 10 EGCDHM CC(C)(C)OC(=O)N1CC2(CN(Cc3c([O-])cccc3Cl)C2)C1 ZINC001140338193 1378048639 /nfs/dbraw/zinc/04/86/39/1378048639.db2.gz ZPVOEGUQCMYPRG-UHFFFAOYSA-N -1 3 338.835 3.098 20 10 EGCDHM CCn1ncc2c1[C@@H](COC)CN(Cc1c([O-])cccc1Cl)C2 ZINC001140338732 1378048717 /nfs/dbraw/zinc/04/87/17/1378048717.db2.gz NNXOGVOWTVLNQT-CYBMUJFWSA-N -1 3 335.835 3.008 20 10 EGCDHM CCn1ncc2c1[C@H](COC)CN(Cc1c([O-])cccc1Cl)C2 ZINC001140338733 1378048743 /nfs/dbraw/zinc/04/87/43/1378048743.db2.gz NNXOGVOWTVLNQT-ZDUSSCGKSA-N -1 3 335.835 3.008 20 10 EGCDHM COc1cccc(CN2CCN(Cc3c([O-])cccc3Cl)CC2)c1 ZINC001140341488 1378049642 /nfs/dbraw/zinc/04/96/42/1378049642.db2.gz QUERJMGOOLZBTF-UHFFFAOYSA-N -1 3 346.858 3.372 20 10 EGCDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN1Cc1ccc(Cl)cc1[O-] ZINC001140464130 1378067098 /nfs/dbraw/zinc/06/70/98/1378067098.db2.gz CUBYIIZPDKZVJA-AWEZNQCLSA-N -1 3 326.824 3.444 20 10 EGCDHM CCCCN1CC[C@@]2(CCCN2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273374714 1378100833 /nfs/dbraw/zinc/10/08/33/1378100833.db2.gz QHFMNEVYXYIVMF-SFHVURJKSA-N -1 3 338.398 3.037 20 10 EGCDHM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001142509183 1378451224 /nfs/dbraw/zinc/45/12/24/1378451224.db2.gz ZTHYWQUIHGKAFZ-LKFCYVNXSA-N -1 3 339.304 3.196 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1Cc2nc(-c3ccccc3)sc2C1 ZINC001148219162 1379134956 /nfs/dbraw/zinc/13/49/56/1379134956.db2.gz VIXOWLPYFQUEMP-UHFFFAOYSA-N -1 3 338.388 3.377 20 10 EGCDHM CC[C@H]1CO[C@@](C)(CCC(C)C)N1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584907 1379217401 /nfs/dbraw/zinc/21/74/01/1379217401.db2.gz ZLUWHUQEWIQGGB-UGSOOPFHSA-N -1 3 337.416 3.207 20 10 EGCDHM Nc1ccccc1N(C(=O)c1cc(O)c([O-])c(O)c1)c1ccccc1 ZINC001148588604 1379218301 /nfs/dbraw/zinc/21/83/01/1379218301.db2.gz WPIWHZBWUSLTDZ-UHFFFAOYSA-N -1 3 336.347 3.364 20 10 EGCDHM O=C(CCn1cccc1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001176940930 1385749492 /nfs/dbraw/zinc/74/94/92/1385749492.db2.gz WAWCCDVVNHYRHB-UHFFFAOYSA-N -1 3 329.787 3.102 20 10 EGCDHM O=C(C[C@H]1CCCCO1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001180414059 1386789805 /nfs/dbraw/zinc/78/98/05/1386789805.db2.gz QYECWYZAHXCUSM-GFCCVEGCSA-N -1 3 334.803 3.169 20 10 EGCDHM COc1c([O-])c(CN(C)Cc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC001321296065 1386869277 /nfs/dbraw/zinc/86/92/77/1386869277.db2.gz HNNZDAQUKVIGKC-UHFFFAOYSA-N -1 3 338.310 3.219 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1C[C@]1(F)Cl ZINC001181675960 1387036364 /nfs/dbraw/zinc/03/63/64/1387036364.db2.gz XTDNVUAMZYNDPH-LKFCYVNXSA-N -1 3 329.158 3.135 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000817881480 969185176 /nfs/dbraw/zinc/18/51/76/969185176.db2.gz UTQYVKPEKOEVAK-GHMZBOCLSA-N -1 3 342.233 3.148 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000817881480 969185182 /nfs/dbraw/zinc/18/51/82/969185182.db2.gz UTQYVKPEKOEVAK-GHMZBOCLSA-N -1 3 342.233 3.148 20 10 EGCDHM C[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000843041336 969234510 /nfs/dbraw/zinc/23/45/10/969234510.db2.gz QNIXDTGJDSPRME-SMDDNHRTSA-N -1 3 344.377 3.314 20 10 EGCDHM CCOc1ccccc1CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001597172175 987001707 /nfs/dbraw/zinc/00/17/07/987001707.db2.gz FOKBJCKXQDQOIL-CYBMUJFWSA-N -1 3 329.396 3.382 20 10 EGCDHM COc1ccc(N(C)CCN(C)Cc2cc(C(=O)[O-])sc2C)cc1 ZINC001599584222 993591054 /nfs/dbraw/zinc/59/10/54/993591054.db2.gz OJHGPQZJHSMOHP-UHFFFAOYSA-N -1 3 348.468 3.332 20 10 EGCDHM C[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257441 994527968 /nfs/dbraw/zinc/52/79/68/994527968.db2.gz NRXMXJOVWKIWIV-PBHICJAKSA-N -1 3 340.423 3.016 20 10 EGCDHM C[C@H]([NH2+]CCOc1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272724 994613930 /nfs/dbraw/zinc/61/39/30/994613930.db2.gz SYUBYMGKZZIOQP-NSHDSACASA-N -1 3 335.787 3.473 20 10 EGCDHM NC(=O)[C@@H](NCc1cc(-c2ccccc2)ccc1[O-])c1ccccc1 ZINC000071792507 203112735 /nfs/dbraw/zinc/11/27/35/203112735.db2.gz PPHHKRWBTWXSGY-FQEVSTJZSA-N -1 3 332.403 3.375 20 10 EGCDHM COc1cc(Cl)cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000291490844 456658827 /nfs/dbraw/zinc/65/88/27/456658827.db2.gz GNKHABRCHWYHEH-BBRMVZONSA-N -1 3 325.836 3.444 20 10 EGCDHM COc1ccc(OC)c2c1CN(Cc1c([O-])cccc1Cl)C[C@H]2O ZINC000121106868 454391465 /nfs/dbraw/zinc/39/14/65/454391465.db2.gz LAKXBRWQUVAXIH-OAHLLOKOSA-N -1 3 349.814 3.112 20 10 EGCDHM CS(=O)(=O)CCc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000122509704 454540814 /nfs/dbraw/zinc/54/08/14/454540814.db2.gz OLZRPUYZLJYHGU-UHFFFAOYSA-N -1 3 339.844 3.245 20 10 EGCDHM CCC[N@H+](Cc1nc(=O)c2sccc2[n-]1)Cc1ccccc1[O-] ZINC000103479562 454560267 /nfs/dbraw/zinc/56/02/67/454560267.db2.gz XCJVTOUXGZXSPR-UHFFFAOYSA-N -1 3 329.425 3.102 20 10 EGCDHM CCC[N@@H+](Cc1nc(=O)c2sccc2[n-]1)Cc1ccccc1[O-] ZINC000103479562 454560271 /nfs/dbraw/zinc/56/02/71/454560271.db2.gz XCJVTOUXGZXSPR-UHFFFAOYSA-N -1 3 329.425 3.102 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H](c2ccco2)C1 ZINC000093841116 454738842 /nfs/dbraw/zinc/73/88/42/454738842.db2.gz CHOOWUWCLQBDKO-OAHLLOKOSA-N -1 3 338.201 3.321 20 10 EGCDHM CC(C)NC(=O)CN(Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000176676593 454770755 /nfs/dbraw/zinc/77/07/55/454770755.db2.gz QCOIWGLHPHEMEX-INIZCTEOSA-N -1 3 326.440 3.480 20 10 EGCDHM COCc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000137522075 454782099 /nfs/dbraw/zinc/78/20/99/454782099.db2.gz MZDYOZZNRKZEGY-CQSZACIVSA-N -1 3 331.368 3.123 20 10 EGCDHM CN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1[O-] ZINC000109771709 454835256 /nfs/dbraw/zinc/83/52/56/454835256.db2.gz CJEYZPUUJZYHCZ-UHFFFAOYSA-N -1 3 339.439 3.063 20 10 EGCDHM C[C@H](C(=O)NCc1ccc(Cl)cc1)N(C)Cc1ccccc1[O-] ZINC000109772125 454835943 /nfs/dbraw/zinc/83/59/43/454835943.db2.gz UEZAYZBAKJSCCL-CYBMUJFWSA-N -1 3 332.831 3.182 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCN(Cc2cccc(O)c2)CC1 ZINC000179974142 455109050 /nfs/dbraw/zinc/10/90/50/455109050.db2.gz KSYJFOZEXWUPOG-UHFFFAOYSA-N -1 3 332.831 3.069 20 10 EGCDHM Cc1ccc(C(=O)N(CCCO)Cc2cccc(Cl)c2)c([O-])c1O ZINC000182910175 455189929 /nfs/dbraw/zinc/18/99/29/455189929.db2.gz FHPYVNPZBVIWRD-UHFFFAOYSA-N -1 3 349.814 3.084 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)c([O-])c1O ZINC000182531680 455535138 /nfs/dbraw/zinc/53/51/38/455535138.db2.gz CDJZDXYYMVXEAL-CZUORRHYSA-N -1 3 327.380 3.008 20 10 EGCDHM C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000186195531 455714283 /nfs/dbraw/zinc/71/42/83/455714283.db2.gz OCUASCBSOQCXIN-KBXCAEBGSA-N -1 3 342.414 3.373 20 10 EGCDHM Cc1cccc([C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccn2)c1 ZINC000193150627 455744981 /nfs/dbraw/zinc/74/49/81/455744981.db2.gz XKOUQPYCUJELTF-GOSISDBHSA-N -1 3 334.375 3.321 20 10 EGCDHM CC[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccc(F)cc1[O-] ZINC000285488248 455855908 /nfs/dbraw/zinc/85/59/08/455855908.db2.gz AFFKJWUZLWXMJM-CQSZACIVSA-N -1 3 330.359 3.450 20 10 EGCDHM CC(C)CO[C@H](C)c1noc(CN(C)Cc2cc(F)ccc2[O-])n1 ZINC000272252998 455892382 /nfs/dbraw/zinc/89/23/82/455892382.db2.gz CIURNRUEJMRZQF-GFCCVEGCSA-N -1 3 337.395 3.280 20 10 EGCDHM Cn1cc([C@H](NCc2cc(F)ccc2[O-])c2ccc(F)cc2)cn1 ZINC000187527185 455920552 /nfs/dbraw/zinc/92/05/52/455920552.db2.gz ZSHLYSHNBJUHLK-GOSISDBHSA-N -1 3 329.350 3.283 20 10 EGCDHM CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187672554 455936710 /nfs/dbraw/zinc/93/67/10/455936710.db2.gz YUGRYZHFCMNALW-CYBMUJFWSA-N -1 3 348.393 3.370 20 10 EGCDHM Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c([O-])c1O ZINC000272698022 456042847 /nfs/dbraw/zinc/04/28/47/456042847.db2.gz XQGVSSSOEOWDQT-UHFFFAOYSA-N -1 3 340.423 3.277 20 10 EGCDHM Cc1nc(CN2CCN(Cc3c([O-])cccc3Cl)CC2)cs1 ZINC000271031168 456104011 /nfs/dbraw/zinc/10/40/11/456104011.db2.gz HAVOUZZVLDVNCA-UHFFFAOYSA-N -1 3 337.876 3.128 20 10 EGCDHM Cc1ccc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)c([O-])c1O ZINC000273059107 456162878 /nfs/dbraw/zinc/16/28/78/456162878.db2.gz XVKOFKGFUAIDLQ-UHFFFAOYSA-N -1 3 349.427 3.037 20 10 EGCDHM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NCc1cc(F)ccc1[O-] ZINC000281218885 456167768 /nfs/dbraw/zinc/16/77/68/456167768.db2.gz KGSAXZZNEYDZNT-GOSISDBHSA-N -1 3 344.386 3.061 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NOCC1CC1 ZINC000297316805 456182892 /nfs/dbraw/zinc/18/28/92/456182892.db2.gz LOFKBCJKMXUMAR-UHFFFAOYSA-N -1 3 343.221 3.028 20 10 EGCDHM C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Cl)ccc1[O-] ZINC000273489436 456235372 /nfs/dbraw/zinc/23/53/72/456235372.db2.gz OAUOLOSIMRZBPI-CXAGYDPISA-N -1 3 344.842 3.497 20 10 EGCDHM CCc1nn(C)c(CC)c1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273543026 456237526 /nfs/dbraw/zinc/23/75/26/456237526.db2.gz YUUSODIKOAPREI-LLVKDONJSA-N -1 3 332.404 3.010 20 10 EGCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])c(OC[C@@H]2CCCO2)c1 ZINC000274918185 456267584 /nfs/dbraw/zinc/26/75/84/456267584.db2.gz ALRFGJAPYZJFAO-ZDUSSCGKSA-N -1 3 343.379 3.216 20 10 EGCDHM O=C([C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1)N1CCCC1 ZINC000290659688 456398385 /nfs/dbraw/zinc/39/83/85/456398385.db2.gz ZNXWDKOJYAMYSW-LLVKDONJSA-N -1 3 343.254 3.143 20 10 EGCDHM CC[C@@H](N[C@@H](C)c1ncnn1C)c1cc(Br)ccc1[O-] ZINC000276718486 456560647 /nfs/dbraw/zinc/56/06/47/456560647.db2.gz XJVLDRFZVCBKHO-JOYOIKCWSA-N -1 3 339.237 3.085 20 10 EGCDHM CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])[nH]1 ZINC000277342994 456786485 /nfs/dbraw/zinc/78/64/85/456786485.db2.gz VDOXEALQCMKAIA-SDDRHHMPSA-N -1 3 346.431 3.222 20 10 EGCDHM CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])n[nH]1 ZINC000277342994 456786487 /nfs/dbraw/zinc/78/64/87/456786487.db2.gz VDOXEALQCMKAIA-SDDRHHMPSA-N -1 3 346.431 3.222 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000375671369 458014597 /nfs/dbraw/zinc/01/45/97/458014597.db2.gz HLQNINBYEKQOTM-NSHDSACASA-N -1 3 339.800 3.026 20 10 EGCDHM Cc1cocc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000528858642 459815675 /nfs/dbraw/zinc/81/56/75/459815675.db2.gz ABQYRDNXYHLVAD-HNNXBMFYSA-N -1 3 348.830 3.341 20 10 EGCDHM COCCC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000529639225 459831577 /nfs/dbraw/zinc/83/15/77/459831577.db2.gz ZFUTUQPPLBIESI-UHFFFAOYSA-N -1 3 328.250 3.403 20 10 EGCDHM CCCC[C@@H](C(=O)Nc1cc(C)on1)N(C)Cc1ccccc1[O-] ZINC000731843492 575211810 /nfs/dbraw/zinc/21/18/10/575211810.db2.gz KMABIPBJNSQESX-HNNXBMFYSA-N -1 3 331.416 3.318 20 10 EGCDHM CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000732354062 575261607 /nfs/dbraw/zinc/26/16/07/575261607.db2.gz ZBBLAGFYCVNSRR-UHFFFAOYSA-N -1 3 347.392 3.088 20 10 EGCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCCC[C@H]1C ZINC000732354635 575262023 /nfs/dbraw/zinc/26/20/23/575262023.db2.gz OZXXHVRSZVJCHF-RISCZKNCSA-N -1 3 325.430 3.036 20 10 EGCDHM Cc1ccc(F)c(N2CCC[C@H](OC(=O)c3cc([O-])cs3)C2=O)c1 ZINC000735720519 575706239 /nfs/dbraw/zinc/70/62/39/575706239.db2.gz ZRJHCRHSKNYIKW-AWEZNQCLSA-N -1 3 349.383 3.254 20 10 EGCDHM CC[C@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@@H](C)O1 ZINC000736945444 576064240 /nfs/dbraw/zinc/06/42/40/576064240.db2.gz XUIBNMQNMWDWDD-OCCSQVGLSA-N -1 3 329.396 3.243 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743759686 576815556 /nfs/dbraw/zinc/81/55/56/576815556.db2.gz KABNFSNDSQPKMO-UHFFFAOYSA-N -1 3 348.380 3.046 20 10 EGCDHM CCCNC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092734118 1292888555 /nfs/dbraw/zinc/88/85/55/1292888555.db2.gz XICNNYKXMBNIFW-LLVKDONJSA-N -1 3 345.270 3.437 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCOCC12CCCC2 ZINC000093840483 1292932643 /nfs/dbraw/zinc/93/26/43/1292932643.db2.gz YBSHDEZUJKAOIY-UHFFFAOYSA-N -1 3 326.234 3.300 20 10 EGCDHM Oc1ccc(-c2csc([N-]c3ncnc4ncccc34)n2)cc1O ZINC000163278733 1294331582 /nfs/dbraw/zinc/33/15/82/1294331582.db2.gz OOAVCPKRFJLFML-UHFFFAOYSA-N -1 3 337.364 3.303 20 10 EGCDHM COCC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715739931 1298287225 /nfs/dbraw/zinc/28/72/25/1298287225.db2.gz XNVOMMGLHADCQP-UHFFFAOYSA-N -1 3 332.213 3.152 20 10 EGCDHM CN1c2ccccc2C(=O)N[C@@H]1c1ccc(Br)cc1[O-] ZINC000877842402 1299606073 /nfs/dbraw/zinc/60/60/73/1299606073.db2.gz HYSWVXGQOVPCLM-AWEZNQCLSA-N -1 3 333.185 3.033 20 10 EGCDHM CC[C@H](NCc1cc(F)cc(F)c1[O-])c1nnc2n1CCCCC2 ZINC000882959313 1302183915 /nfs/dbraw/zinc/18/39/15/1302183915.db2.gz BXVKUQKNZRGFGZ-AWEZNQCLSA-N -1 3 336.386 3.229 20 10 EGCDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000768152685 1302837764 /nfs/dbraw/zinc/83/77/64/1302837764.db2.gz SUYOMUTZKVABFO-UHFFFAOYSA-N -1 3 347.802 3.276 20 10 EGCDHM COc1ccccc1CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000769315476 1303090739 /nfs/dbraw/zinc/09/07/39/1303090739.db2.gz BSCHMEVEGQUDCI-UHFFFAOYSA-N -1 3 346.858 3.372 20 10 EGCDHM C[C@@H](NCc1cccnc1OCC(F)F)c1c([O-])cccc1F ZINC000886558600 1303500847 /nfs/dbraw/zinc/50/08/47/1303500847.db2.gz OMEHEHUWWUMBTN-SNVBAGLBSA-N -1 3 326.318 3.421 20 10 EGCDHM COc1c([O-])c(CNc2cncc3ccccc32)ccc1[N+](=O)[O-] ZINC000775047336 1303893695 /nfs/dbraw/zinc/89/36/95/1303893695.db2.gz LMGQYAYMUSSKRC-UHFFFAOYSA-N -1 3 325.324 3.469 20 10 EGCDHM CCCCn1ncc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C ZINC000775053671 1303895855 /nfs/dbraw/zinc/89/58/55/1303895855.db2.gz ZXZZBCVMWUPNJM-UHFFFAOYSA-N -1 3 334.376 3.226 20 10 EGCDHM COc1c([O-])c(CNc2ccc3c(c2)C[C@@H](OC)C3)ccc1[N+](=O)[O-] ZINC000775061167 1303898415 /nfs/dbraw/zinc/89/84/15/1303898415.db2.gz WEEQHRMBKOKQQJ-HNNXBMFYSA-N -1 3 344.367 3.035 20 10 EGCDHM Cc1nnc([C@@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)o1 ZINC000775673430 1304011928 /nfs/dbraw/zinc/01/19/28/1304011928.db2.gz VHPHDHPYYADKTG-SNVBAGLBSA-N -1 3 325.771 3.256 20 10 EGCDHM CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775724871 1304021993 /nfs/dbraw/zinc/02/19/93/1304021993.db2.gz OGXCUQABCFRQOA-SNVBAGLBSA-N -1 3 329.799 3.348 20 10 EGCDHM O=C(Nc1ncc(Cc2ccccc2)s1)c1cccc(O)c1[O-] ZINC000776327713 1304134847 /nfs/dbraw/zinc/13/48/47/1304134847.db2.gz RQKXZNBFHHOQRI-UHFFFAOYSA-N -1 3 326.377 3.397 20 10 EGCDHM COc1ccc(C2(NC(=O)c3cccc(O)c3[O-])CCCC2)cc1 ZINC000776644331 1304181723 /nfs/dbraw/zinc/18/17/23/1304181723.db2.gz NGQRRNPBZZWJPQ-UHFFFAOYSA-N -1 3 327.380 3.306 20 10 EGCDHM CC(=O)N[C@H]1Cc2ccccc2N(Cc2c([O-])cccc2Cl)C1 ZINC000780778162 1304737936 /nfs/dbraw/zinc/73/79/36/1304737936.db2.gz FGDAMINTNRSYEB-AWEZNQCLSA-N -1 3 330.815 3.113 20 10 EGCDHM Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c([O-])c1O ZINC000780860487 1304745655 /nfs/dbraw/zinc/74/56/55/1304745655.db2.gz FQHDPZWUWPBFNW-UHFFFAOYSA-N -1 3 349.770 3.473 20 10 EGCDHM Cc1ccc(C(=O)Nc2cc(-c3ccccc3C)nn2C)c([O-])c1O ZINC000780955740 1304755388 /nfs/dbraw/zinc/75/53/88/1304755388.db2.gz NQKOLGJRLUKWOM-UHFFFAOYSA-N -1 3 337.379 3.367 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccccc2[C@H](O)C(F)(F)F)c([O-])c1O ZINC000781017582 1304760685 /nfs/dbraw/zinc/76/06/85/1304760685.db2.gz BWIDYTDOGNPHHR-AWEZNQCLSA-N -1 3 341.285 3.254 20 10 EGCDHM CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc(F)cc(F)c1[O-] ZINC000894061792 1306197326 /nfs/dbraw/zinc/19/73/26/1306197326.db2.gz LJZSPNFHVFYRBG-JOCHJYFZSA-N -1 3 325.380 3.040 20 10 EGCDHM COCCOc1ccccc1CNCc1c([O-])ccc(Cl)c1F ZINC000790954261 1308894807 /nfs/dbraw/zinc/89/48/07/1308894807.db2.gz NOPDYWYXIALNRO-UHFFFAOYSA-N -1 3 339.794 3.500 20 10 EGCDHM C[C@@H]1C[C@@H](NCc2c([O-])ccc(Cl)c2F)C(=O)N1c1ccccc1 ZINC000790974855 1308901839 /nfs/dbraw/zinc/90/18/39/1308901839.db2.gz XUPHTDDKVRCRDM-IAQYHMDHSA-N -1 3 348.805 3.468 20 10 EGCDHM CC[C@@]1(CO)CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894504207 1308927256 /nfs/dbraw/zinc/92/72/56/1308927256.db2.gz OWFCQDBSRBKLEA-OAHLLOKOSA-N -1 3 346.240 3.278 20 10 EGCDHM CCOC(=O)N(C)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792164038 1309133653 /nfs/dbraw/zinc/13/36/53/1309133653.db2.gz FTRQAZZIYAVHMT-UHFFFAOYSA-N -1 3 344.814 3.237 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000792168257 1309134895 /nfs/dbraw/zinc/13/48/95/1309134895.db2.gz AACLEKKXQMIGMB-ZDUSSCGKSA-N -1 3 341.732 3.320 20 10 EGCDHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C)OCO2 ZINC000794875961 1309613861 /nfs/dbraw/zinc/61/38/61/1309613861.db2.gz YVISHMVZZZAYNS-UHFFFAOYSA-N -1 3 349.408 3.155 20 10 EGCDHM COc1c([O-])c(CNc2cc(C)cnc2OC(C)C)ccc1[N+](=O)[O-] ZINC000824515075 1320262617 /nfs/dbraw/zinc/26/26/17/1320262617.db2.gz DKVYSJDMZMYJDO-UHFFFAOYSA-N -1 3 347.371 3.412 20 10 EGCDHM Cc1cc([O-])c(CN2CCNC(=O)C[C@@H]2c2ccccc2)cc1Cl ZINC000824596616 1320268226 /nfs/dbraw/zinc/26/82/26/1320268226.db2.gz IYLXIGCROZNCDE-QGZVFWFLSA-N -1 3 344.842 3.417 20 10 EGCDHM C[C@H](NCc1cc(F)ccc1[O-])c1noc(Cc2ccccc2)n1 ZINC000809658211 1317858028 /nfs/dbraw/zinc/85/80/28/1317858028.db2.gz HPDRWMBAKXNLFW-LBPRGKRZSA-N -1 3 327.359 3.356 20 10 EGCDHM CC[C@H](N[C@@H](C)c1ncn(C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238025 1317984537 /nfs/dbraw/zinc/98/45/37/1317984537.db2.gz HIAPELIVOZJBIE-CABZTGNLSA-N -1 3 328.338 3.341 20 10 EGCDHM O=C1NCCN(Cc2ccc3ccccc3c2[O-])[C@H]1c1cccs1 ZINC000816515163 1319171207 /nfs/dbraw/zinc/17/12/07/1319171207.db2.gz RCHWXVDHTQNJLE-KRWDZBQOSA-N -1 3 338.432 3.280 20 10 EGCDHM C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000817624631 1319417028 /nfs/dbraw/zinc/41/70/28/1319417028.db2.gz DLHGSASJMJGIOL-LJQANCHMSA-N -1 3 329.371 3.474 20 10 EGCDHM COC(=O)c1cnc([C@@H](C)NCc2cc(Cl)ccc2[O-])s1 ZINC000818230418 1319523658 /nfs/dbraw/zinc/52/36/58/1319523658.db2.gz BDONLIAKZHNGGP-MRVPVSSYSA-N -1 3 326.805 3.140 20 10 EGCDHM C[C@@H](N[C@H](C)c1cc(Br)ccc1[O-])c1csnn1 ZINC000840886039 1321171090 /nfs/dbraw/zinc/17/10/90/1321171090.db2.gz MGHZIWKDXFSFJV-HTQZYQBOSA-N -1 3 328.235 3.418 20 10 EGCDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC)c(C)c2)cc1 ZINC000841793883 1321313213 /nfs/dbraw/zinc/31/32/13/1321313213.db2.gz QKZOWUBTGGDWNC-KRWDZBQOSA-N -1 3 329.396 3.318 20 10 EGCDHM CCOCc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1OC ZINC000841799157 1321314390 /nfs/dbraw/zinc/31/43/90/1321314390.db2.gz QNLVJVKUUNIPFS-SFHVURJKSA-N -1 3 347.386 3.286 20 10 EGCDHM C[C@@H](N[C@H](CCO)c1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842922074 1321449078 /nfs/dbraw/zinc/44/90/78/1321449078.db2.gz ABYBFXGMROVNAM-BDJLRTHQSA-N -1 3 334.347 3.214 20 10 EGCDHM CCN(C(C)=O)c1nc(CNCc2cc(Cl)ccc2[O-])cs1 ZINC000846058698 1321765083 /nfs/dbraw/zinc/76/50/83/1321765083.db2.gz RUYMDAURLVPASV-UHFFFAOYSA-N -1 3 339.848 3.165 20 10 EGCDHM CO[C@@H](CS(=O)(=O)Nc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC000849307711 1322109826 /nfs/dbraw/zinc/10/98/26/1322109826.db2.gz CZZMTNVQFQPWHI-HNNXBMFYSA-N -1 3 347.864 3.383 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1C[C@]12CCCOC2 ZINC001183732857 1387338227 /nfs/dbraw/zinc/33/82/27/1387338227.db2.gz BKEAFFDINWFKSY-UGSOOPFHSA-N -1 3 346.814 3.027 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(CO)cc1 ZINC001186125053 1387874630 /nfs/dbraw/zinc/87/46/30/1387874630.db2.gz UVLDJBMCXRRCNH-UHFFFAOYSA-N -1 3 342.782 3.016 20 10 EGCDHM Cc1[nH]nc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)cc(F)c12 ZINC001193229461 1367971991 /nfs/dbraw/zinc/97/19/91/1367971991.db2.gz JFJWDDJFZMHLFU-UHFFFAOYSA-N -1 3 335.722 3.327 20 10 EGCDHM COC(=O)[C@@]1(C)CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203580620 1370177900 /nfs/dbraw/zinc/17/79/00/1370177900.db2.gz UFZCCKMKRYUFLF-HNNXBMFYSA-N -1 3 332.227 3.474 20 10 EGCDHM COCCCCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203586607 1370178774 /nfs/dbraw/zinc/17/87/74/1370178774.db2.gz QXEIUHJYSKDTHP-UHFFFAOYSA-N -1 3 347.286 3.243 20 10 EGCDHM CC(C)Oc1ccccc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325257 1373197637 /nfs/dbraw/zinc/19/76/37/1373197637.db2.gz ITYHJVXVYKKQDX-UHFFFAOYSA-N -1 3 328.324 3.308 20 10 EGCDHM Cc1ccc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)cc1C ZINC001231559625 1376263651 /nfs/dbraw/zinc/26/36/51/1376263651.db2.gz HBORCXCVTKRGMG-UHFFFAOYSA-N -1 3 340.423 3.029 20 10 EGCDHM COCc1cnc2n1CCN(Cc1cc(Cl)c(C)cc1[O-])[C@@H]2C ZINC001231866169 1376328342 /nfs/dbraw/zinc/32/83/42/1376328342.db2.gz CRUJPXCOXXVWGS-GFCCVEGCSA-N -1 3 335.835 3.274 20 10 EGCDHM Cc1cc([O-])c(CN2CC(N3CCC(F)(F)CC3)C2)cc1Cl ZINC001231870537 1376331004 /nfs/dbraw/zinc/33/10/04/1376331004.db2.gz HVRYHOZQTLOGKT-UHFFFAOYSA-N -1 3 330.806 3.269 20 10 EGCDHM CC(C)(C)OC(=O)C1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334451 1376618564 /nfs/dbraw/zinc/61/85/64/1376618564.db2.gz HQETXCGQBCTGSN-UHFFFAOYSA-N -1 3 327.371 3.224 20 10 EGCDHM CC(C)(C)OC(=O)N[C@@]1(C)CCCN(Cc2c([O-])cccc2F)C1 ZINC001137831795 1377624003 /nfs/dbraw/zinc/62/40/03/1377624003.db2.gz NXHWYCYESITWON-SFHVURJKSA-N -1 3 338.423 3.411 20 10 EGCDHM [O-]c1cccc(F)c1CN1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001137833113 1377624431 /nfs/dbraw/zinc/62/44/31/1377624431.db2.gz TWNSSRVBNAKUBT-DFQSSKMNSA-N -1 3 349.446 3.470 20 10 EGCDHM C[C@@H]1CCN(Cc2cccc(F)c2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC001138122698 1377680703 /nfs/dbraw/zinc/68/07/03/1377680703.db2.gz WAPXGADOQJLPMZ-IUODEOHRSA-N -1 3 338.423 3.266 20 10 EGCDHM C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1Cc1cccc(F)c1[O-] ZINC001138128546 1377681511 /nfs/dbraw/zinc/68/15/11/1377681511.db2.gz QRYKTFUHUSPZSJ-GXTWGEPZSA-N -1 3 338.423 3.409 20 10 EGCDHM COC(=O)CCN(Cc1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139684065 1377933586 /nfs/dbraw/zinc/93/35/86/1377933586.db2.gz QBRAKKALXDMBSJ-UHFFFAOYSA-N -1 3 335.350 3.236 20 10 EGCDHM [O-]c1ccc(F)cc1CN1CCc2ncc(Br)cc2C1 ZINC001140055277 1377996896 /nfs/dbraw/zinc/99/68/96/1377996896.db2.gz PXBLRDJYUJRJSC-UHFFFAOYSA-N -1 3 337.192 3.247 20 10 EGCDHM CC(C)COC[C@H]1CN(Cc2cc(F)ccc2[O-])Cc2ncn(C)c21 ZINC001140063543 1377999994 /nfs/dbraw/zinc/99/99/94/1377999994.db2.gz SAFNLQLDUKLQFI-OAHLLOKOSA-N -1 3 347.434 3.037 20 10 EGCDHM CN(Cc1c([O-])cccc1Cl)C1CN(C(=O)OC(C)(C)C)C1 ZINC001140341475 1378049263 /nfs/dbraw/zinc/04/92/63/1378049263.db2.gz PYXBHJXYJUEMOK-UHFFFAOYSA-N -1 3 326.824 3.097 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001140342830 1378050060 /nfs/dbraw/zinc/05/00/60/1378050060.db2.gz ZVOWIEMSHQAXKU-OAHLLOKOSA-N -1 3 330.806 3.351 20 10 EGCDHM CC(C)(C)OC(=O)C[C@H]1CCCN1Cc1c([O-])cc(F)cc1F ZINC001140584042 1378090355 /nfs/dbraw/zinc/09/03/55/1378090355.db2.gz DQGBRBVAKUVWHZ-GFCCVEGCSA-N -1 3 327.371 3.367 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CC(N2CCCC2)C1 ZINC001141372883 1378313482 /nfs/dbraw/zinc/31/34/82/1378313482.db2.gz BIZASPIUGDKSML-UHFFFAOYSA-N -1 3 345.668 3.088 20 10 EGCDHM COc1ccc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142502304 1378449474 /nfs/dbraw/zinc/44/94/74/1378449474.db2.gz MTCWZYKBJUITQG-UHFFFAOYSA-N -1 3 334.366 3.001 20 10 EGCDHM CN(Cc1cccnc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144299468 1378712920 /nfs/dbraw/zinc/71/29/20/1378712920.db2.gz XOBQQCOTGABVBE-UHFFFAOYSA-N -1 3 325.181 3.321 20 10 EGCDHM CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(O)c1[O-] ZINC001148212714 1379134408 /nfs/dbraw/zinc/13/44/08/1379134408.db2.gz HPEXCPHKOHDIFB-UHFFFAOYSA-N -1 3 340.335 3.008 20 10 EGCDHM COc1ccc(-c2ccccc2NC(=O)c2cccc(O)c2[O-])nc1 ZINC001148218701 1379134811 /nfs/dbraw/zinc/13/48/11/1379134811.db2.gz HUERAGPYNPVDPF-UHFFFAOYSA-N -1 3 336.347 3.421 20 10 EGCDHM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1cc(O)c([O-])c(O)c1 ZINC001148589587 1379218403 /nfs/dbraw/zinc/21/84/03/1379218403.db2.gz CUGUQFLGXHQXOG-KRWDZBQOSA-N -1 3 327.380 3.465 20 10 EGCDHM COc1cnc(C)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168521792 1383928898 /nfs/dbraw/zinc/92/88/98/1383928898.db2.gz KRDFEEJMDVYOJZ-UHFFFAOYSA-N -1 3 330.775 3.313 20 10 EGCDHM [O-]c1c(CNc2ccc3ncnn3c2F)cc(Cl)c2cccnc12 ZINC001168526200 1383930655 /nfs/dbraw/zinc/93/06/55/1383930655.db2.gz SSCDLFPKAWDWTP-UHFFFAOYSA-N -1 3 343.749 3.388 20 10 EGCDHM COc1ncnc(NCc2cc(Cl)c3cccnc3c2[O-])c1OC ZINC001168527873 1383930728 /nfs/dbraw/zinc/93/07/28/1383930728.db2.gz NUJZKYAUEAIFKZ-UHFFFAOYSA-N -1 3 346.774 3.013 20 10 EGCDHM Oc1cc2ccccc2cc1CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001171407694 1384514115 /nfs/dbraw/zinc/51/41/15/1384514115.db2.gz UDZQVBCTCQKQDA-UHFFFAOYSA-N -1 3 335.342 3.477 20 10 EGCDHM Oc1cc2ccccc2cc1CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001171407694 1384514119 /nfs/dbraw/zinc/51/41/19/1384514119.db2.gz UDZQVBCTCQKQDA-UHFFFAOYSA-N -1 3 335.342 3.477 20 10 EGCDHM C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824612613 946862641 /nfs/dbraw/zinc/86/26/41/946862641.db2.gz NTHBGTGYAMUMJA-SECBINFHSA-N -1 3 347.781 3.216 20 10 EGCDHM C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824612613 946862656 /nfs/dbraw/zinc/86/26/56/946862656.db2.gz NTHBGTGYAMUMJA-SECBINFHSA-N -1 3 347.781 3.216 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@](C)(C(=O)[O-])c2ccccc2)c1[O-] ZINC001594058620 958066340 /nfs/dbraw/zinc/06/63/40/958066340.db2.gz ADWFUTNSXQEOGY-KRWDZBQOSA-N -1 3 335.787 3.144 20 10 EGCDHM O=C([O-])c1ccc(CNCc2ccccc2O)c(Br)c1 ZINC000236471446 960653755 /nfs/dbraw/zinc/65/37/55/960653755.db2.gz HRWGWXMYYPZQPY-UHFFFAOYSA-N -1 3 336.185 3.143 20 10 EGCDHM C[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000843041332 969234489 /nfs/dbraw/zinc/23/44/89/969234489.db2.gz QNIXDTGJDSPRME-FZMZJTMJSA-N -1 3 344.377 3.314 20 10 EGCDHM CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c([O-])c1 ZINC001597101468 986718441 /nfs/dbraw/zinc/71/84/41/986718441.db2.gz VKPBIBWDWVSYPI-GOSISDBHSA-N -1 3 329.396 3.323 20 10 EGCDHM C[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239331 994422114 /nfs/dbraw/zinc/42/21/14/994422114.db2.gz DNJWADUWNYYPEB-VOJFVSQTSA-N -1 3 349.814 3.302 20 10 EGCDHM C[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272645 994612276 /nfs/dbraw/zinc/61/22/76/994612276.db2.gz ARFUCEIZXXEBTE-SECBINFHSA-N -1 3 339.313 3.401 20 10 EGCDHM C[C@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594380137 999435403 /nfs/dbraw/zinc/43/54/03/999435403.db2.gz HGWHONPWOJYSQA-KGLIPLIRSA-N -1 3 334.460 3.252 20 10 EGCDHM CCCN(CC(=O)Nc1ccc(C(C)=O)cc1)Cc1ccccc1[O-] ZINC000075829196 453928896 /nfs/dbraw/zinc/92/88/96/453928896.db2.gz WOGIQZZQMIVAAL-UHFFFAOYSA-N -1 3 340.423 3.446 20 10 EGCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179842974 455088414 /nfs/dbraw/zinc/08/84/14/455088414.db2.gz HYHZFUHYKORBQY-LBPRGKRZSA-N -1 3 326.824 3.145 20 10 EGCDHM CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc(F)ccc1[O-] ZINC000179883499 455093313 /nfs/dbraw/zinc/09/33/13/455093313.db2.gz PWMSJYZQGDHJGL-UHFFFAOYSA-N -1 3 332.375 3.001 20 10 EGCDHM CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000189494418 455207530 /nfs/dbraw/zinc/20/75/30/455207530.db2.gz ATSXXPNCDKNEFA-FQEVSTJZSA-N -1 3 343.423 3.210 20 10 EGCDHM Cc1ccc(C(=O)N(C)CCCOc2ccc(F)cc2)c([O-])c1O ZINC000181964249 455406144 /nfs/dbraw/zinc/40/61/44/455406144.db2.gz VCTJIDDBAUPSHU-UHFFFAOYSA-N -1 3 333.359 3.086 20 10 EGCDHM CCn1cc([C@@H]2CN(Cc3cc(Cl)cc(C)c3[O-])CCO2)cn1 ZINC000191695637 455510314 /nfs/dbraw/zinc/51/03/14/455510314.db2.gz WYHHADXIAVOIQV-INIZCTEOSA-N -1 3 335.835 3.144 20 10 EGCDHM Cc1ccc(C(=O)N2CCSC[C@@H]2c2ccccc2)c([O-])c1O ZINC000182454540 455516821 /nfs/dbraw/zinc/51/68/21/455516821.db2.gz BMRAQTAECAOFSQ-OAHLLOKOSA-N -1 3 329.421 3.337 20 10 EGCDHM Cc1nc(N2CCOCC2)ccc1N[C@@H](C)c1ccc(F)cc1[O-] ZINC000186489235 455780620 /nfs/dbraw/zinc/78/06/20/455780620.db2.gz LFOQYLLCGKUTGP-LBPRGKRZSA-N -1 3 331.391 3.244 20 10 EGCDHM COc1c([O-])c(CN2CC=C(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278261475 455799822 /nfs/dbraw/zinc/79/98/22/455799822.db2.gz QPVHQQLKBVQHDQ-UHFFFAOYSA-N -1 3 332.278 3.003 20 10 EGCDHM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cccc(O)c1[O-] ZINC000187117151 455871614 /nfs/dbraw/zinc/87/16/14/455871614.db2.gz BWMRPRYYZNPYSH-GFCCVEGCSA-N -1 3 346.358 3.080 20 10 EGCDHM CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187670725 455937082 /nfs/dbraw/zinc/93/70/82/455937082.db2.gz SAESJCFLJGSCFV-NSHDSACASA-N -1 3 334.366 3.271 20 10 EGCDHM C[C@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000286868429 456056193 /nfs/dbraw/zinc/05/61/93/456056193.db2.gz BOIWQAADAWZAFI-YVEFUNNKSA-N -1 3 347.390 3.393 20 10 EGCDHM CCCOc1ncccc1CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273423053 456230021 /nfs/dbraw/zinc/23/00/21/456230021.db2.gz SNCXBBICNIPXLW-ZDUSSCGKSA-N -1 3 344.411 3.213 20 10 EGCDHM CCCCN(Cc1ccccc1[O-])[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000282552248 456549691 /nfs/dbraw/zinc/54/96/91/456549691.db2.gz XHGNZZYOAIJWIW-GOSISDBHSA-N -1 3 330.403 3.360 20 10 EGCDHM O=C(Nc1ccccc1)N1CC[C@@H](NCc2c([O-])cccc2Cl)C1 ZINC000282931865 456667339 /nfs/dbraw/zinc/66/73/39/456667339.db2.gz HZYNRQFXIQSPCR-CQSZACIVSA-N -1 3 345.830 3.442 20 10 EGCDHM CCS(=O)(=O)CCN(Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000299539976 456722478 /nfs/dbraw/zinc/72/24/78/456722478.db2.gz FKTBUPQZQOAKNG-MRXNPFEDSA-N -1 3 347.480 3.390 20 10 EGCDHM CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000277231093 456735326 /nfs/dbraw/zinc/73/53/26/456735326.db2.gz MFEWRFDVBTYKLU-GARJFASQSA-N -1 3 333.392 3.344 20 10 EGCDHM COc1cc(Cl)cc(CN2CCC[C@@H]2c2cn(C)nc2C)c1[O-] ZINC000363910844 457463279 /nfs/dbraw/zinc/46/32/79/457463279.db2.gz WXXNEQSHUDEUGC-OAHLLOKOSA-N -1 3 335.835 3.433 20 10 EGCDHM CCOc1ccc(CN2CCc3nc(C(C)(C)C)ncc3C2)c([O-])c1 ZINC000529643745 459831618 /nfs/dbraw/zinc/83/16/18/459831618.db2.gz TZUQMJWZPYTTII-UHFFFAOYSA-N -1 3 341.455 3.437 20 10 EGCDHM O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc([O-])cs1 ZINC000732265864 575250505 /nfs/dbraw/zinc/25/05/05/575250505.db2.gz JBHCXZYKOONEPW-UHFFFAOYSA-N -1 3 331.315 3.325 20 10 EGCDHM O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1cc([O-])cs1 ZINC000732271094 575251491 /nfs/dbraw/zinc/25/14/91/575251491.db2.gz AUJMYRXUUXBEHV-UHFFFAOYSA-N -1 3 345.346 3.100 20 10 EGCDHM C[C@@H]1CN(c2ccccc2NC(=O)c2cc([O-])cs2)C[C@H](C)O1 ZINC000732274284 575252374 /nfs/dbraw/zinc/25/23/74/575252374.db2.gz QQWTWGAJGARPHB-TXEJJXNPSA-N -1 3 332.425 3.320 20 10 EGCDHM CC(C)[C@@H](NC(=O)c1cc([O-])cs1)c1nc(-c2ccncc2)no1 ZINC000732282204 575254687 /nfs/dbraw/zinc/25/46/87/575254687.db2.gz MYLPBCZICUCIGW-CYBMUJFWSA-N -1 3 344.396 3.026 20 10 EGCDHM C[C@H](c1ccc(NC(=O)c2cc([O-])cs2)cc1)N1CCOCC1 ZINC000732287954 575255405 /nfs/dbraw/zinc/25/54/05/575255405.db2.gz JTPNXRHUAMGZHR-GFCCVEGCSA-N -1 3 332.425 3.099 20 10 EGCDHM CCCC[C@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1cc(C)on1 ZINC000732354036 575261777 /nfs/dbraw/zinc/26/17/77/575261777.db2.gz NSQIJQJCCZNCFC-NSHDSACASA-N -1 3 338.385 3.104 20 10 EGCDHM O=C(CNCc1c([O-])cccc1Cl)N1CCCc2ccccc21 ZINC000733325615 575327771 /nfs/dbraw/zinc/32/77/71/575327771.db2.gz NIKJOQCLLPMTQL-UHFFFAOYSA-N -1 3 330.815 3.115 20 10 EGCDHM CC(C)(C)OC(=O)N1CCC[C@H]1COC(=O)c1cc([O-])cs1 ZINC000733497584 575352024 /nfs/dbraw/zinc/35/20/24/575352024.db2.gz ZGYCNGGBRIUGDP-JTQLQIEISA-N -1 3 327.402 3.010 20 10 EGCDHM CC(C)OC(=O)NCc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000735125420 575606168 /nfs/dbraw/zinc/60/61/68/575606168.db2.gz KBBQNKPKHQTHDC-UHFFFAOYSA-N -1 3 334.397 3.341 20 10 EGCDHM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cc([O-])cs1 ZINC000740149723 576555065 /nfs/dbraw/zinc/55/50/65/576555065.db2.gz QTFSXNRVAMGUBX-LBPRGKRZSA-N -1 3 336.388 3.436 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cncs1 ZINC000743809120 576816136 /nfs/dbraw/zinc/81/61/36/576816136.db2.gz NGNRYTWZOXCDNS-UHFFFAOYSA-N -1 3 341.230 3.274 20 10 EGCDHM COC(=O)C[C@@H](NC(=O)c1cc([O-])cs1)c1cccc(Cl)c1 ZINC000743821920 576816337 /nfs/dbraw/zinc/81/63/37/576816337.db2.gz YNJMRPLECRNICL-GFCCVEGCSA-N -1 3 339.800 3.141 20 10 EGCDHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000833546952 605037598 /nfs/dbraw/zinc/03/75/98/605037598.db2.gz NCSWDYURESEKHQ-CQSZACIVSA-N -1 3 344.411 3.007 20 10 EGCDHM Cc1nnc([C@H](C)NCc2ccc(Br)cc2[O-])s1 ZINC000691501452 1298133794 /nfs/dbraw/zinc/13/37/94/1298133794.db2.gz OGIPHCRPTCVECW-ZETCQYMHSA-N -1 3 328.235 3.165 20 10 EGCDHM Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)c(C)n1-c1ccccn1 ZINC000132840394 1293730466 /nfs/dbraw/zinc/73/04/66/1293730466.db2.gz JNDFGECUTCLSJQ-UHFFFAOYSA-N -1 3 339.370 3.264 20 10 EGCDHM CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000186864651 1295354066 /nfs/dbraw/zinc/35/40/66/1295354066.db2.gz GDNHKWLKHCNTAD-UHFFFAOYSA-N -1 3 328.368 3.335 20 10 EGCDHM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000186875722 1295354476 /nfs/dbraw/zinc/35/44/76/1295354476.db2.gz IHFNNGDFNQIMQP-UHFFFAOYSA-N -1 3 327.258 3.291 20 10 EGCDHM COc1ccc([C@@H](NC(=O)c2cccc(O)c2[O-])C(F)(F)F)cc1 ZINC000193157789 1295837648 /nfs/dbraw/zinc/83/76/48/1295837648.db2.gz SLMXVLNQIOYGGY-CQSZACIVSA-N -1 3 341.285 3.140 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCCO[C@@H](C(C)C)C2)c1[O-] ZINC000378778231 1297522322 /nfs/dbraw/zinc/52/23/22/1297522322.db2.gz GEPFQXRCYKPRKO-MRXNPFEDSA-N -1 3 325.836 3.495 20 10 EGCDHM CCc1cnc(CNCc2c([O-])cccc2Br)s1 ZINC000706852008 1298224060 /nfs/dbraw/zinc/22/40/60/1298224060.db2.gz IMQSQRXEUNAEMR-UHFFFAOYSA-N -1 3 327.247 3.463 20 10 EGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](OCc2ccccn2)C1 ZINC000877645189 1299450598 /nfs/dbraw/zinc/45/05/98/1299450598.db2.gz CYELJBXZSPNJLS-OAHLLOKOSA-N -1 3 336.794 3.371 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](OCc2ccccn2)C1 ZINC000877645138 1299451416 /nfs/dbraw/zinc/45/14/16/1299451416.db2.gz BMPFNEBPHYWCIF-CQSZACIVSA-N -1 3 336.794 3.371 20 10 EGCDHM CCN(CCS(C)(=O)=O)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000753796571 1300022517 /nfs/dbraw/zinc/02/25/17/1300022517.db2.gz DSUWBCZKOVFJIX-UHFFFAOYSA-N -1 3 347.436 3.158 20 10 EGCDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccccc32)[C@@H]2CCCC[C@@H]21 ZINC000754011739 1300064220 /nfs/dbraw/zinc/06/42/20/1300064220.db2.gz KWOQIOMLLQCCCZ-MJGOQNOKSA-N -1 3 345.464 3.087 20 10 EGCDHM COc1ccc(CN(C)Cc2cccc(Br)c2[O-])cn1 ZINC000757917767 1300756279 /nfs/dbraw/zinc/75/62/79/1300756279.db2.gz OTNZWDCZWOJPNR-UHFFFAOYSA-N -1 3 337.217 3.190 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc3c(c2)C[C@@H](OC)C3)c1 ZINC000760882033 1301358557 /nfs/dbraw/zinc/35/85/57/1301358557.db2.gz IOCUJKJYNBPJOP-SJCJKPOMSA-N -1 3 341.407 3.466 20 10 EGCDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768163380 1302842458 /nfs/dbraw/zinc/84/24/58/1302842458.db2.gz OEYBRTLYOATDML-UHFFFAOYSA-N -1 3 347.802 3.276 20 10 EGCDHM COc1ccc2c(c1)nc(CNCc1c([O-])cccc1Cl)n2C ZINC000769938217 1303195595 /nfs/dbraw/zinc/19/55/95/1303195595.db2.gz VIKLHJDABZQAFV-UHFFFAOYSA-N -1 3 331.803 3.231 20 10 EGCDHM C[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)c1c([O-])cccc1F ZINC000886611228 1303523708 /nfs/dbraw/zinc/52/37/08/1303523708.db2.gz WUJNXUVIMIJTPV-ZIAGYGMSSA-N -1 3 346.402 3.192 20 10 EGCDHM CC(C)c1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c([O-])c1 ZINC000773747478 1303733404 /nfs/dbraw/zinc/73/34/04/1303733404.db2.gz AKTLTCNGSQQJLP-LBPRGKRZSA-N -1 3 329.396 3.288 20 10 EGCDHM COc1c([O-])c(CNc2cnn([C@@H](C)C3CC3)c2)ccc1[N+](=O)[O-] ZINC000775081820 1303904081 /nfs/dbraw/zinc/90/40/81/1303904081.db2.gz BXDQAOZWVGIANX-JTQLQIEISA-N -1 3 332.360 3.089 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000775139638 1303915205 /nfs/dbraw/zinc/91/52/05/1303915205.db2.gz WMMZKHDHFAKAHQ-AMIZOPFISA-N -1 3 341.732 3.320 20 10 EGCDHM O=[N+]([O-])c1ccc2[nH]c(CNCc3c([O-])cccc3Cl)nc2c1 ZINC000775178325 1303920083 /nfs/dbraw/zinc/92/00/83/1303920083.db2.gz GERPEHWCXOZWMD-UHFFFAOYSA-N -1 3 332.747 3.120 20 10 EGCDHM O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1cccc(O)c1[O-] ZINC000776662334 1304182799 /nfs/dbraw/zinc/18/27/99/1304182799.db2.gz YSXHOUMXZGDBAA-LBPRGKRZSA-N -1 3 346.814 3.150 20 10 EGCDHM COC(=O)[C@@H](NCc1cc(Cl)ccc1[O-])c1ccc(OC)cc1 ZINC000779179461 1304539091 /nfs/dbraw/zinc/53/90/91/1304539091.db2.gz QVRDRWQCGWQPDJ-INIZCTEOSA-N -1 3 335.787 3.058 20 10 EGCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1Cc1cccc(F)c1[O-] ZINC000779201866 1304541977 /nfs/dbraw/zinc/54/19/77/1304541977.db2.gz YYIJVWFRYMUEGV-BETUJISGSA-N -1 3 338.423 3.361 20 10 EGCDHM COc1ccccc1SC[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000790652164 1306369266 /nfs/dbraw/zinc/36/92/66/1306369266.db2.gz ZHXWOAJXAMLLDK-LBPRGKRZSA-N -1 3 347.436 3.265 20 10 EGCDHM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cccc(O)c1[O-])CC3 ZINC000790923151 1308887945 /nfs/dbraw/zinc/88/79/45/1308887945.db2.gz RRWMICXJUYJDES-GFCCVEGCSA-N -1 3 336.391 3.175 20 10 EGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])[C@H]1CO ZINC000894535274 1308943152 /nfs/dbraw/zinc/94/31/52/1308943152.db2.gz YGTXAWPPTDMBQG-PELKAZGASA-N -1 3 334.641 3.011 20 10 EGCDHM C[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])[C@@H]1CO ZINC000894535276 1308943380 /nfs/dbraw/zinc/94/33/80/1308943380.db2.gz YGTXAWPPTDMBQG-QPUJVOFHSA-N -1 3 334.641 3.011 20 10 EGCDHM CC[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(F)cc1[O-] ZINC000796877682 1310104170 /nfs/dbraw/zinc/10/41/70/1310104170.db2.gz CFENGCSYYQUOOK-AWEZNQCLSA-N -1 3 329.375 3.285 20 10 EGCDHM CCN(C(=O)CN[C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000903196621 1317670748 /nfs/dbraw/zinc/67/07/48/1317670748.db2.gz BVVXZJCDOAGZLT-LBPRGKRZSA-N -1 3 334.366 3.374 20 10 EGCDHM CCNC(=O)OC[C@@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000809690681 1317865370 /nfs/dbraw/zinc/86/53/70/1317865370.db2.gz CALFDBPLURKCJA-NSHDSACASA-N -1 3 344.814 3.285 20 10 EGCDHM C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815557317 1319014735 /nfs/dbraw/zinc/01/47/35/1319014735.db2.gz QQUPZQVIYNXAEL-QMTHXVAHSA-N -1 3 338.329 3.288 20 10 EGCDHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816515613 1319171553 /nfs/dbraw/zinc/17/15/53/1319171553.db2.gz FOSALRYRARJEMM-KGLIPLIRSA-N -1 3 342.842 3.406 20 10 EGCDHM CCNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816607989 1319191059 /nfs/dbraw/zinc/19/10/59/1319191059.db2.gz LUKJNIMVKOLFGC-LBPRGKRZSA-N -1 3 344.814 3.285 20 10 EGCDHM Cc1cc([O-])c(CN2CCNC(=O)[C@@H]2c2ccccc2)cc1Cl ZINC000824645368 1320273048 /nfs/dbraw/zinc/27/30/48/1320273048.db2.gz GPUSCOXSIYDFRI-KRWDZBQOSA-N -1 3 330.815 3.027 20 10 EGCDHM CC(C)OC(=O)[C@@H](NCc1cc(Br)ccc1[O-])C(C)C ZINC000824845005 1320290454 /nfs/dbraw/zinc/29/04/54/1320290454.db2.gz GQJWPWDKLZZPCE-AWEZNQCLSA-N -1 3 344.249 3.221 20 10 EGCDHM [O-]c1cc(Br)ccc1CNCc1noc2c1CCCC2 ZINC000825940270 1320373139 /nfs/dbraw/zinc/37/31/39/1320373139.db2.gz RCYLYESCCVLUMB-UHFFFAOYSA-N -1 3 337.217 3.311 20 10 EGCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CC2(CCC2)O1 ZINC000843434631 1321518659 /nfs/dbraw/zinc/51/86/59/1321518659.db2.gz CEQMAURDJGCWAG-LLVKDONJSA-N -1 3 326.234 3.298 20 10 EGCDHM Cc1cc([O-])c([C@H]2NC(=O)[C@@H]3c4ccccc4CCN23)cc1Cl ZINC000849182771 1322095026 /nfs/dbraw/zinc/09/50/26/1322095026.db2.gz NBDKPZJZAZKFOT-IRXDYDNUSA-N -1 3 328.799 3.082 20 10 EGCDHM O=c1[n-]ccc(Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)c1[N+](=O)[O-] ZINC000853363000 1325085035 /nfs/dbraw/zinc/08/50/35/1325085035.db2.gz LBWIIMGZWFZGOR-NSHDSACASA-N -1 3 348.334 3.169 20 10 EGCDHM CCOCCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCc2ccccc21 ZINC000863003563 1329522160 /nfs/dbraw/zinc/52/21/60/1329522160.db2.gz WVEXCUCMUPEZAB-QGZVFWFLSA-N -1 3 341.407 3.264 20 10 EGCDHM CN(C)C(=O)NCCc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000865707579 1329731262 /nfs/dbraw/zinc/73/12/62/1329731262.db2.gz MMEZTTIWOFRDDV-UHFFFAOYSA-N -1 3 347.846 3.471 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H]1c1cnccn1 ZINC001203642036 1370198761 /nfs/dbraw/zinc/19/87/61/1370198761.db2.gz BDCKDWIIPXBDHI-CQSZACIVSA-N -1 3 334.217 3.282 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1C[C@@]12CCCOC2 ZINC001183732856 1387338314 /nfs/dbraw/zinc/33/83/14/1387338314.db2.gz BKEAFFDINWFKSY-SCLBCKFNSA-N -1 3 346.814 3.027 20 10 EGCDHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])CC2(CCC2)O1 ZINC001347400082 1391069584 /nfs/dbraw/zinc/06/95/84/1391069584.db2.gz CHQFLZCIMLSODY-NSHDSACASA-N -1 3 326.234 3.298 20 10 EGCDHM CO[C@H](C)CCOc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229543051 1375853166 /nfs/dbraw/zinc/85/31/66/1375853166.db2.gz UYQURSFXCVLNHI-GFCCVEGCSA-N -1 3 340.375 3.280 20 10 EGCDHM CCO[C@H](C)COc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229541994 1375853392 /nfs/dbraw/zinc/85/33/92/1375853392.db2.gz JTESMIPXPSRGHP-GFCCVEGCSA-N -1 3 340.375 3.280 20 10 EGCDHM COc1cccnc1O[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231913274 1376350115 /nfs/dbraw/zinc/35/01/15/1376350115.db2.gz KCRZFAIMTUBGSK-ZDUSSCGKSA-N -1 3 334.803 3.103 20 10 EGCDHM Cc1cncnc1O[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231914066 1376350285 /nfs/dbraw/zinc/35/02/85/1376350285.db2.gz XNBPJONVZWZGQE-CQSZACIVSA-N -1 3 333.819 3.187 20 10 EGCDHM CC(C)(C)CC(=O)NC1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336392 1376620944 /nfs/dbraw/zinc/62/09/44/1376620944.db2.gz KEIBLXFHSOPBGH-UHFFFAOYSA-N -1 3 340.414 3.187 20 10 EGCDHM [O-]c1cccc(F)c1CN1CCN(c2ccc3ccccc3n2)CC1 ZINC001137838684 1377626907 /nfs/dbraw/zinc/62/69/07/1377626907.db2.gz HKOWWLYMFBZLIB-UHFFFAOYSA-N -1 3 337.398 3.402 20 10 EGCDHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2c([O-])cccc2F)C1 ZINC001137840163 1377629247 /nfs/dbraw/zinc/62/92/47/1377629247.db2.gz SAMUMVZSJISPNS-QWHCGFSZSA-N -1 3 338.423 3.266 20 10 EGCDHM C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCCN1Cc1cccc(F)c1[O-] ZINC001138131340 1377683445 /nfs/dbraw/zinc/68/34/45/1377683445.db2.gz XFUMCNMKNUSQDT-DOMZBBRYSA-N -1 3 338.423 3.409 20 10 EGCDHM CCOCc1cnc2n1CCN(Cc1ccc(Cl)cc1[O-])[C@H]2C ZINC001140467863 1378068974 /nfs/dbraw/zinc/06/89/74/1378068974.db2.gz XOUQUSQAJIJKQX-LBPRGKRZSA-N -1 3 335.835 3.355 20 10 EGCDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524574 1378453186 /nfs/dbraw/zinc/45/31/86/1378453186.db2.gz BLVOKZQUUYWIIO-GFCCVEGCSA-N -1 3 342.386 3.112 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@]2(CCOC2)C1 ZINC001144292507 1378710849 /nfs/dbraw/zinc/71/08/49/1378710849.db2.gz DWDNPMRXCRQMTN-HNNXBMFYSA-N -1 3 344.224 3.296 20 10 EGCDHM Cc1ncsc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001147391993 1379013412 /nfs/dbraw/zinc/01/34/12/1379013412.db2.gz HOIDRSUQUCQJIW-UHFFFAOYSA-N -1 3 333.800 3.289 20 10 EGCDHM O=C(Nc1ccnc(Cl)c1OC(F)(F)F)c1cccc(O)c1[O-] ZINC001148211931 1379134265 /nfs/dbraw/zinc/13/42/65/1379134265.db2.gz CYRBVWMGANERQD-UHFFFAOYSA-N -1 3 348.664 3.297 20 10 EGCDHM O=C(Nc1ccc(Oc2cc[nH]c(=O)c2)cc1)c1cccc(O)c1[O-] ZINC001148218909 1379134747 /nfs/dbraw/zinc/13/47/47/1379134747.db2.gz NSMOIBZYSCZGDQ-UHFFFAOYSA-N -1 3 338.319 3.243 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000817881483 969185247 /nfs/dbraw/zinc/18/52/47/969185247.db2.gz UTQYVKPEKOEVAK-WDEREUQCSA-N -1 3 342.233 3.148 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000817881483 969185252 /nfs/dbraw/zinc/18/52/52/969185252.db2.gz UTQYVKPEKOEVAK-WDEREUQCSA-N -1 3 342.233 3.148 20 10 EGCDHM O=C([O-])[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001606453497 973897741 /nfs/dbraw/zinc/89/77/41/973897741.db2.gz QJVNBXRHCUBZIM-QGZVFWFLSA-N -1 3 327.380 3.020 20 10 EGCDHM O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001606453497 973897749 /nfs/dbraw/zinc/89/77/49/973897749.db2.gz QJVNBXRHCUBZIM-QGZVFWFLSA-N -1 3 327.380 3.020 20 10 EGCDHM CCN(CC)c1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1F ZINC000901499630 980317319 /nfs/dbraw/zinc/31/73/19/980317319.db2.gz NOHDUFSAEAHMES-HNNXBMFYSA-N -1 3 334.435 3.359 20 10 EGCDHM CCN(CC)[C@@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccco1 ZINC001596256182 983666750 /nfs/dbraw/zinc/66/67/50/983666750.db2.gz NILYZMOMOLXJRT-CJNGLKHVSA-N -1 3 346.427 3.417 20 10 EGCDHM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC001596288033 983707390 /nfs/dbraw/zinc/70/73/90/983707390.db2.gz FLCUNCVJXRCXBZ-GOSISDBHSA-N -1 3 328.412 3.154 20 10 EGCDHM CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c([O-])c1 ZINC001597101490 986717877 /nfs/dbraw/zinc/71/78/77/986717877.db2.gz WBEGCNXMSMCESV-GOSISDBHSA-N -1 3 329.396 3.323 20 10 EGCDHM C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219048 994294345 /nfs/dbraw/zinc/29/43/45/994294345.db2.gz LSIMUYALECPSSQ-APPDUMDISA-N -1 3 326.396 3.401 20 10 EGCDHM C[C@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593250202 994484654 /nfs/dbraw/zinc/48/46/54/994484654.db2.gz SCYOVELIXBKXBS-SCLBCKFNSA-N -1 3 333.428 3.480 20 10 EGCDHM C[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272651 994612510 /nfs/dbraw/zinc/61/25/10/994612510.db2.gz ARFUCEIZXXEBTE-VIFPVBQESA-N -1 3 339.313 3.401 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](c3ncc[nH]3)C2)c1[O-] ZINC000092072068 454515903 /nfs/dbraw/zinc/51/59/03/454515903.db2.gz LMFYWMKIGAKXAQ-JTQLQIEISA-N -1 3 336.779 3.057 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CCc3c2cccc3O)c1[O-] ZINC000105486499 454640448 /nfs/dbraw/zinc/64/04/48/454640448.db2.gz MCVSDIZINABENH-ZDUSSCGKSA-N -1 3 334.759 3.437 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3nc(C)no3)C2)c1[O-] ZINC000177262911 454844180 /nfs/dbraw/zinc/84/41/80/454844180.db2.gz DONJPXJYEXNNLT-LBPRGKRZSA-N -1 3 349.818 3.319 20 10 EGCDHM Cc1ccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c([O-])c1O ZINC000177663824 454889497 /nfs/dbraw/zinc/88/94/97/454889497.db2.gz AUJHVUHENYNQNW-UHFFFAOYSA-N -1 3 327.355 3.475 20 10 EGCDHM O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000180015879 455116148 /nfs/dbraw/zinc/11/61/48/455116148.db2.gz HVVISGWNWRQOLQ-INIZCTEOSA-N -1 3 347.365 3.066 20 10 EGCDHM O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000180015865 455116227 /nfs/dbraw/zinc/11/62/27/455116227.db2.gz HVVISGWNWRQOLQ-MRXNPFEDSA-N -1 3 347.365 3.066 20 10 EGCDHM C[C@@H](N[C@H](C)c1ccc(Br)cc1[O-])C(=O)NC(C)(C)C ZINC000185218154 455523829 /nfs/dbraw/zinc/52/38/29/455523829.db2.gz SFXWQTGOLXDEGN-NXEZZACHSA-N -1 3 343.265 3.109 20 10 EGCDHM Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@H](C)CO1 ZINC000185741365 455610801 /nfs/dbraw/zinc/61/08/01/455610801.db2.gz YZAATUZJOPJYGV-DYVFJYSZSA-N -1 3 327.380 3.008 20 10 EGCDHM Cc1ccc([C@H](C)[NH2+]Cc2nnc(COc3ccccc3)[n-]2)c([O-])c1 ZINC000186423959 455765693 /nfs/dbraw/zinc/76/56/93/455765693.db2.gz ARFAMLPDLTXWDB-AWEZNQCLSA-N -1 3 338.411 3.249 20 10 EGCDHM Cc1nc(N2CCOCC2)ccc1N[C@@H](C)c1cc(F)ccc1[O-] ZINC000186489692 455780733 /nfs/dbraw/zinc/78/07/33/455780733.db2.gz GUVNDZGEGJVGBD-LBPRGKRZSA-N -1 3 331.391 3.244 20 10 EGCDHM Cc1nnsc1CN[C@H](C)c1cc(Br)ccc1[O-] ZINC000293632597 455793425 /nfs/dbraw/zinc/79/34/25/455793425.db2.gz KHSXVBUSILTIBA-SSDOTTSWSA-N -1 3 328.235 3.165 20 10 EGCDHM O=C(c1ccc(NCc2c([O-])cccc2Cl)cc1)N1CCOCC1 ZINC000278738907 455847033 /nfs/dbraw/zinc/84/70/33/455847033.db2.gz RFBHFYJSLAAECC-UHFFFAOYSA-N -1 3 346.814 3.130 20 10 EGCDHM C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187671643 455937458 /nfs/dbraw/zinc/93/74/58/455937458.db2.gz SIROLXRHXLKLPK-NEPJUHHUSA-N -1 3 334.366 3.026 20 10 EGCDHM CC[C@@H](Nc1ccc(OCC(=O)NC)cc1)c1ccc(F)cc1[O-] ZINC000286109381 455979360 /nfs/dbraw/zinc/97/93/60/455979360.db2.gz MZEBROGSTFXYRP-MRXNPFEDSA-N -1 3 332.375 3.219 20 10 EGCDHM COC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cccc(Cl)c1 ZINC000288492747 456096897 /nfs/dbraw/zinc/09/68/97/456096897.db2.gz HLGBLQCHJUDAPR-HNNXBMFYSA-N -1 3 336.775 3.431 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN[C@@H]1COc2ccccc2[C@@H]1O ZINC000288671334 456102826 /nfs/dbraw/zinc/10/28/26/456102826.db2.gz WKWAKOREZLYSIO-CJNGLKHVSA-N -1 3 340.206 3.283 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000289462496 456125720 /nfs/dbraw/zinc/12/57/20/456125720.db2.gz GQPYFQJNZRMIPO-AEFFLSMTSA-N -1 3 333.403 3.267 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccc(OC)c2OC)c1 ZINC000273386072 456227330 /nfs/dbraw/zinc/22/73/30/456227330.db2.gz JRBPMAYUFABNJF-GFCCVEGCSA-N -1 3 345.395 3.047 20 10 EGCDHM COc1ccc([C@H](CCO)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273512970 456236829 /nfs/dbraw/zinc/23/68/29/456236829.db2.gz RZLZEYXFNXAKQD-PXAZEXFGSA-N -1 3 346.383 3.083 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN[C@@]2(CO)CCc3ccccc32)c1[O-] ZINC000305712353 456551349 /nfs/dbraw/zinc/55/13/49/456551349.db2.gz FUFMMGGMXBGJKE-LJQANCHMSA-N -1 3 345.826 3.172 20 10 EGCDHM CCN(CC)c1ccc(CNCc2ccccc2CC(=O)[O-])cc1 ZINC000277028890 456658001 /nfs/dbraw/zinc/65/80/01/456658001.db2.gz PHZFDOOYUYSGPH-UHFFFAOYSA-N -1 3 326.440 3.450 20 10 EGCDHM COc1cc(Cl)cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000291490847 456659119 /nfs/dbraw/zinc/65/91/19/456659119.db2.gz GNKHABRCHWYHEH-CJNGLKHVSA-N -1 3 325.836 3.444 20 10 EGCDHM CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000277231083 456735166 /nfs/dbraw/zinc/73/51/66/456735166.db2.gz MFEWRFDVBTYKLU-AXFHLTTASA-N -1 3 333.392 3.344 20 10 EGCDHM C[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC[S@]1=O ZINC000277447490 456828236 /nfs/dbraw/zinc/82/82/36/456828236.db2.gz JRCMPJISYAKXAX-IQMFZBJNSA-N -1 3 329.465 3.402 20 10 EGCDHM COc1c([O-])c(CN2C[C@H](C)C[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755942 457686991 /nfs/dbraw/zinc/68/69/91/457686991.db2.gz CUAQKAKWORQERM-MLGOLLRUSA-N -1 3 343.383 3.287 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@@H]3CCOC3)CC2)c1[O-] ZINC000365037779 457725575 /nfs/dbraw/zinc/72/55/75/457725575.db2.gz PTZPNWIEIKCAFY-CQSZACIVSA-N -1 3 337.847 3.497 20 10 EGCDHM Cc1ccc(C(=O)N2CCS[C@@H](c3ccccc3)C2)c([O-])c1O ZINC000369419904 458209083 /nfs/dbraw/zinc/20/90/83/458209083.db2.gz SYDAQIVFAUNLJS-OAHLLOKOSA-N -1 3 329.421 3.337 20 10 EGCDHM COC(=O)N1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000726961230 574621463 /nfs/dbraw/zinc/62/14/63/574621463.db2.gz JSOZMXBEAHLNRP-UHFFFAOYSA-N -1 3 340.379 3.176 20 10 EGCDHM CC(=O)c1sc2[n-]c(CSc3nccs3)nc(=O)c2c1C ZINC000728704952 574767084 /nfs/dbraw/zinc/76/70/84/574767084.db2.gz PGJBTDCBLMYMSG-UHFFFAOYSA-N -1 3 337.451 3.244 20 10 EGCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ccccc1Cl ZINC000731912217 575218603 /nfs/dbraw/zinc/21/86/03/575218603.db2.gz QRHPSLPHFFKCFQ-QMMMGPOBSA-N -1 3 325.773 3.291 20 10 EGCDHM O=C(COC(=O)c1cc([O-])cs1)Nc1ccccc1C(F)(F)F ZINC000731910202 575218641 /nfs/dbraw/zinc/21/86/41/575218641.db2.gz OIFYBKZQBSVXQN-UHFFFAOYSA-N -1 3 345.298 3.268 20 10 EGCDHM Cc1c(NC(=O)c2cc([O-])cs2)cccc1C(=O)N1CCCC1 ZINC000732281559 575254089 /nfs/dbraw/zinc/25/40/89/575254089.db2.gz PHQQFQCWTLIHFU-UHFFFAOYSA-N -1 3 330.409 3.250 20 10 EGCDHM CC(C)[C@H](NC(=O)c1cc([O-])cs1)c1nc(-c2ccncc2)no1 ZINC000732282205 575254506 /nfs/dbraw/zinc/25/45/06/575254506.db2.gz MYLPBCZICUCIGW-ZDUSSCGKSA-N -1 3 344.396 3.026 20 10 EGCDHM C[C@H](OC(=O)c1cc([O-])cs1)c1nc(Cc2ccccc2)no1 ZINC000745002519 576838270 /nfs/dbraw/zinc/83/82/70/576838270.db2.gz LENLEKHSKJVBDN-JTQLQIEISA-N -1 3 330.365 3.346 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCN(Cc2cccc(O)c2)CC1 ZINC000092789558 1292890435 /nfs/dbraw/zinc/89/04/35/1292890435.db2.gz OCJCCXOYRILOQX-UHFFFAOYSA-N -1 3 332.831 3.069 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCc2ccccc2[C@H]1CO ZINC000093455168 1292924629 /nfs/dbraw/zinc/92/46/29/1292924629.db2.gz IMZKVEKZTTYIDL-MRXNPFEDSA-N -1 3 348.240 3.246 20 10 EGCDHM COCCN(Cc1c(C)nn(C)c1C)Cc1c([O-])cccc1Cl ZINC000835075120 1293200892 /nfs/dbraw/zinc/20/08/92/1293200892.db2.gz OXDGRFBPTWLUPR-UHFFFAOYSA-N -1 3 337.851 3.045 20 10 EGCDHM COCCN(Cc1c(C)nn(C)c1C)Cc1cccc(Cl)c1[O-] ZINC000835073639 1293200944 /nfs/dbraw/zinc/20/09/44/1293200944.db2.gz DMXOERUOBNNKQJ-UHFFFAOYSA-N -1 3 337.851 3.045 20 10 EGCDHM CS(=O)(=O)Nc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000149163009 1293885987 /nfs/dbraw/zinc/88/59/87/1293885987.db2.gz AQGUGZFHKNOJNL-UHFFFAOYSA-N -1 3 326.805 3.029 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(F)cc2)c([O-])c1O ZINC000182331218 1295035592 /nfs/dbraw/zinc/03/55/92/1295035592.db2.gz NBEVEMGYASTYEE-UHFFFAOYSA-N -1 3 341.342 3.042 20 10 EGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000189427333 1295521094 /nfs/dbraw/zinc/52/10/94/1295521094.db2.gz ARRYBIZRRIMJHC-UHFFFAOYSA-N -1 3 335.425 3.381 20 10 EGCDHM O=C(NCc1csc(-c2ccccc2)n1)c1cccc(O)c1[O-] ZINC000192911977 1295814975 /nfs/dbraw/zinc/81/49/75/1295814975.db2.gz OVOSPGGSWUNBCO-UHFFFAOYSA-N -1 3 326.377 3.151 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCN(C)C[C@H]2c2ccccc2)c1[O-] ZINC000255956804 1296581831 /nfs/dbraw/zinc/58/18/31/1296581831.db2.gz OYJVIGMPYBHWIH-IBGZPJMESA-N -1 3 342.414 3.223 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@]2(CCOC2)C1 ZINC000708216461 1298237492 /nfs/dbraw/zinc/23/74/92/1298237492.db2.gz UOVLRJMOBZKLHM-AWEZNQCLSA-N -1 3 346.652 3.421 20 10 EGCDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccccc32)[C@@H]2CCCC[C@H]21 ZINC000754011735 1300063638 /nfs/dbraw/zinc/06/36/38/1300063638.db2.gz KWOQIOMLLQCCCZ-IEBWSBKVSA-N -1 3 345.464 3.087 20 10 EGCDHM C[C@H](NCc1cn(-c2ccccc2)nn1)c1cc(F)cc(F)c1[O-] ZINC000756741517 1300558169 /nfs/dbraw/zinc/55/81/69/1300558169.db2.gz GCZAZXDNVMODBK-NSHDSACASA-N -1 3 330.338 3.102 20 10 EGCDHM C[C@H](NCc1cn(-c2ccccc2)nn1)c1cc(Cl)ccc1[O-] ZINC000756742418 1300558807 /nfs/dbraw/zinc/55/88/07/1300558807.db2.gz MEQIECQFVALHBC-LBPRGKRZSA-N -1 3 328.803 3.477 20 10 EGCDHM CCCCn1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)n1 ZINC000756785549 1300564900 /nfs/dbraw/zinc/56/49/00/1300564900.db2.gz FYCHBUYRCQRQME-ZDUSSCGKSA-N -1 3 332.404 3.456 20 10 EGCDHM COCCOc1cc(C)ccc1CNCc1cc(F)cc(F)c1[O-] ZINC000883036304 1302216175 /nfs/dbraw/zinc/21/61/75/1302216175.db2.gz HUIKEVBVNHLNMW-UHFFFAOYSA-N -1 3 337.366 3.294 20 10 EGCDHM O=C1CN(Cc2c([O-])cccc2Cl)CCN1c1cccc(F)c1 ZINC000765681823 1302305257 /nfs/dbraw/zinc/30/52/57/1302305257.db2.gz DGWYCGNXVAOGAG-UHFFFAOYSA-N -1 3 334.778 3.034 20 10 EGCDHM CN1CC(=O)N(c2cccc(NCc3c([O-])cccc3Cl)c2)C1=O ZINC000770528600 1303281056 /nfs/dbraw/zinc/28/10/56/1303281056.db2.gz UZULYBSKZNJOPC-UHFFFAOYSA-N -1 3 345.786 3.056 20 10 EGCDHM CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1c([O-])cccc1F ZINC000886515368 1303483738 /nfs/dbraw/zinc/48/37/38/1303483738.db2.gz ACDAQPFFASCILD-CQSZACIVSA-N -1 3 330.403 3.231 20 10 EGCDHM Cc1ccnc(-c2nnc([C@@H](C)[NH2+][C@@H](C)c3c([O-])cccc3F)[n-]2)c1 ZINC000886603645 1303519495 /nfs/dbraw/zinc/51/94/95/1303519495.db2.gz SRBUAMOJTWMSOB-NWDGAFQWSA-N -1 3 341.390 3.432 20 10 EGCDHM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c2ccccc2O1 ZINC000775079816 1303904024 /nfs/dbraw/zinc/90/40/24/1303904024.db2.gz INHZZIKOXNRBID-CYBMUJFWSA-N -1 3 344.367 3.487 20 10 EGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(C)c(C)c1O ZINC000775292186 1303935489 /nfs/dbraw/zinc/93/54/89/1303935489.db2.gz UNAHIOBHRSCBLQ-UHFFFAOYSA-N -1 3 333.409 3.148 20 10 EGCDHM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cccc(O)c1[O-] ZINC000776662333 1304182594 /nfs/dbraw/zinc/18/25/94/1304182594.db2.gz YSXHOUMXZGDBAA-GFCCVEGCSA-N -1 3 346.814 3.150 20 10 EGCDHM O=C1CN(Cc2cc(F)ccc2[O-])CCN1Cc1ccc(Cl)cc1 ZINC000779020890 1304519786 /nfs/dbraw/zinc/51/97/86/1304519786.db2.gz VEFOEWULWYDTBZ-UHFFFAOYSA-N -1 3 348.805 3.029 20 10 EGCDHM Cc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c([O-])c1O ZINC000780874201 1304746804 /nfs/dbraw/zinc/74/68/04/1304746804.db2.gz YOYIGJCVBQQMPO-HNNXBMFYSA-N -1 3 343.379 3.216 20 10 EGCDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])nn1-c1ccc(C)cc1 ZINC000781017647 1304760856 /nfs/dbraw/zinc/76/08/56/1304760856.db2.gz DHKOVAWWAWHTAQ-UHFFFAOYSA-N -1 3 337.379 3.461 20 10 EGCDHM CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894019422 1306177695 /nfs/dbraw/zinc/17/76/95/1306177695.db2.gz MLFATTGCKQWEPE-GFCCVEGCSA-N -1 3 340.414 3.045 20 10 EGCDHM CC(C)n1nc(-c2ccco2)cc1NC(=O)c1cccc(O)c1[O-] ZINC000790346081 1306305566 /nfs/dbraw/zinc/30/55/66/1306305566.db2.gz IBFPKIRLQCKBDD-UHFFFAOYSA-N -1 3 327.340 3.388 20 10 EGCDHM O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cccc(O)c1[O-] ZINC000790514577 1306342476 /nfs/dbraw/zinc/34/24/76/1306342476.db2.gz XBPLNSHPMLTWFA-UHFFFAOYSA-N -1 3 337.379 3.426 20 10 EGCDHM O=C(NCc1ccnc(OC2CCCCC2)c1)c1cccc(O)c1[O-] ZINC000790617492 1306362423 /nfs/dbraw/zinc/36/24/23/1306362423.db2.gz DNQJBGPNYCGIBO-UHFFFAOYSA-N -1 3 342.395 3.134 20 10 EGCDHM COc1ccccc1SC[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000790652159 1306369484 /nfs/dbraw/zinc/36/94/84/1306369484.db2.gz ZHXWOAJXAMLLDK-GFCCVEGCSA-N -1 3 347.436 3.265 20 10 EGCDHM COc1c(N[C@@H](C)c2ccc(F)cc2[O-])cc(Cl)cc1C(N)=O ZINC000793574093 1309407778 /nfs/dbraw/zinc/40/77/78/1309407778.db2.gz HSROWNVDIDTBLJ-QMMMGPOBSA-N -1 3 338.766 3.465 20 10 EGCDHM COCCNC(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000796465701 1310007935 /nfs/dbraw/zinc/00/79/35/1310007935.db2.gz JJPUFMIIWGPQDW-UHFFFAOYSA-N -1 3 334.803 3.034 20 10 EGCDHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H](C2CC2)O1 ZINC000825738425 1320359718 /nfs/dbraw/zinc/35/97/18/1320359718.db2.gz NXAQOSLYYWILAT-BONVTDFDSA-N -1 3 326.234 3.154 20 10 EGCDHM COCCN(Cc1ccc(C)c(C)c1)C(=O)c1cccc(O)c1[O-] ZINC000899801253 1317164883 /nfs/dbraw/zinc/16/48/83/1317164883.db2.gz PXDDOJSLYWGBMV-UHFFFAOYSA-N -1 3 329.396 3.003 20 10 EGCDHM Cc1cc(Br)c([O-])c(CNc2cnn(CCF)c2)c1 ZINC000858246391 1328721919 /nfs/dbraw/zinc/72/19/19/1328721919.db2.gz HXXVTVSHSPDAJB-UHFFFAOYSA-N -1 3 328.185 3.241 20 10 EGCDHM CN(C)C(=O)OC[C@@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000809709301 1317871269 /nfs/dbraw/zinc/87/12/69/1317871269.db2.gz PLQVOAMCVHTHRE-NSHDSACASA-N -1 3 344.814 3.237 20 10 EGCDHM Cc1cnn([C@@H]2CCN(Cc3cccc(Br)c3[O-])C2)c1 ZINC000811520274 1318194289 /nfs/dbraw/zinc/19/42/89/1318194289.db2.gz MVOGFCFSNAHPBB-CYBMUJFWSA-N -1 3 336.233 3.107 20 10 EGCDHM COCCN(CC(=O)OC(C)(C)C)Cc1ccc2ccccc2c1[O-] ZINC000816499216 1319167823 /nfs/dbraw/zinc/16/78/23/1319167823.db2.gz JEJPDQASEGTLPM-UHFFFAOYSA-N -1 3 345.439 3.336 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000817881705 1319451778 /nfs/dbraw/zinc/45/17/78/1319451778.db2.gz MTNLIZCQRVIYIE-SKDRFNHKSA-N -1 3 342.233 3.006 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000817881705 1319451785 /nfs/dbraw/zinc/45/17/85/1319451785.db2.gz MTNLIZCQRVIYIE-SKDRFNHKSA-N -1 3 342.233 3.006 20 10 EGCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCN1C1CCCC1 ZINC000822949854 1320140404 /nfs/dbraw/zinc/14/04/04/1320140404.db2.gz RUTAQXBESMQTFB-CQSZACIVSA-N -1 3 343.254 3.332 20 10 EGCDHM Cc1ccnc(NC(=O)CN(C)Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000824658151 1320274995 /nfs/dbraw/zinc/27/49/95/1320274995.db2.gz XFBCHCPXTWNHMB-UHFFFAOYSA-N -1 3 333.819 3.128 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(Cc3cccnc3)CC2)cc1Cl ZINC000825451363 1320340070 /nfs/dbraw/zinc/34/00/70/1320340070.db2.gz TWNQJFMATAWDJL-UHFFFAOYSA-N -1 3 331.847 3.067 20 10 EGCDHM CSc1ccc([O-])c(C(=O)NCCCSc2nccs2)c1 ZINC000827475193 1320456053 /nfs/dbraw/zinc/45/60/53/1320456053.db2.gz VBCRSXXLIASARU-UHFFFAOYSA-N -1 3 340.495 3.483 20 10 EGCDHM COCCC1(C)CN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000839143398 1320879609 /nfs/dbraw/zinc/87/96/09/1320879609.db2.gz PSGPKJZMRYGMPS-UHFFFAOYSA-N -1 3 328.250 3.322 20 10 EGCDHM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000839921799 1320996871 /nfs/dbraw/zinc/99/68/71/1320996871.db2.gz JZFPVVGCRPHEIH-CQSZACIVSA-N -1 3 344.430 3.196 20 10 EGCDHM C[C@@H](N[C@H](C)c1cc(Br)c(F)cc1[O-])c1ccn(C)n1 ZINC000840818760 1321156152 /nfs/dbraw/zinc/15/61/52/1321156152.db2.gz ZLNLROUTSDQAST-RKDXNWHRSA-N -1 3 342.212 3.439 20 10 EGCDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1C ZINC000841796994 1321314139 /nfs/dbraw/zinc/31/41/39/1321314139.db2.gz RCKOTGBIEFRYTI-KRWDZBQOSA-N -1 3 333.359 3.067 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)N(C)C(C)C)c([O-])c1O ZINC000848328214 1321951886 /nfs/dbraw/zinc/95/18/86/1321951886.db2.gz OBJVATPTMBLIBR-UHFFFAOYSA-N -1 3 342.395 3.139 20 10 EGCDHM CCN(CC)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1F ZINC000853302542 1325078106 /nfs/dbraw/zinc/07/81/06/1325078106.db2.gz CVTWCAHYNPKTIL-UHFFFAOYSA-N -1 3 334.351 3.293 20 10 EGCDHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000855009373 1325334620 /nfs/dbraw/zinc/33/46/20/1325334620.db2.gz RQSJDGKQRGNTKM-GFCCVEGCSA-N -1 3 342.395 3.187 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCc2ccc(O)cc2C1 ZINC000862228166 1329468267 /nfs/dbraw/zinc/46/82/67/1329468267.db2.gz MFAOHASKPBEWGB-UHFFFAOYSA-N -1 3 334.213 3.419 20 10 EGCDHM CN(Cc1c([O-])cccc1Br)[C@@H](CO)c1ccccc1 ZINC000862384311 1329480559 /nfs/dbraw/zinc/48/05/59/1329480559.db2.gz UZIHWRHPODMIPT-HNNXBMFYSA-N -1 3 336.229 3.320 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1C[C@@]12CCCOC2 ZINC001183732855 1387338185 /nfs/dbraw/zinc/33/81/85/1387338185.db2.gz BKEAFFDINWFKSY-FZKQIMNGSA-N -1 3 346.814 3.027 20 10 EGCDHM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(O)cc3)ccc2c1 ZINC001191931985 1367642368 /nfs/dbraw/zinc/64/23/68/1367642368.db2.gz LQGUWEWREZYUEC-UHFFFAOYSA-N -1 3 329.377 3.355 20 10 EGCDHM CN(Cc1ccc(C(N)=O)cc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001325713116 1388033273 /nfs/dbraw/zinc/03/32/73/1388033273.db2.gz GQVIYSBDPASRJC-UHFFFAOYSA-N -1 3 339.222 3.430 20 10 EGCDHM COC(=O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC12CC2 ZINC001203586065 1370178700 /nfs/dbraw/zinc/17/87/00/1370178700.db2.gz JYLHONBVACWXAU-LLVKDONJSA-N -1 3 330.211 3.084 20 10 EGCDHM Cc1nc(-c2noc(-c3cccc(O)c3[O-])n2)ccc1Br ZINC001215145894 1373177887 /nfs/dbraw/zinc/17/78/87/1373177887.db2.gz PREDDCSTQSVBJB-UHFFFAOYSA-N -1 3 348.156 3.281 20 10 EGCDHM COc1cc([O-])c(CN2CC3(C2)CC(F)(F)CS3)cc1Cl ZINC001232269137 1376427672 /nfs/dbraw/zinc/42/76/72/1376427672.db2.gz RQMCQWFUMAVAHE-UHFFFAOYSA-N -1 3 335.803 3.381 20 10 EGCDHM CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079217 1376564443 /nfs/dbraw/zinc/56/44/43/1376564443.db2.gz ZYXGDEQHZDNBRL-NSHDSACASA-N -1 3 327.371 3.224 20 10 EGCDHM CCCc1noc([C@H]2CCCN(Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233335442 1376618436 /nfs/dbraw/zinc/61/84/36/1376618436.db2.gz VNMJEYMKFONIJB-NSHDSACASA-N -1 3 337.370 3.386 20 10 EGCDHM CCOc1ccccc1N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137831989 1377624084 /nfs/dbraw/zinc/62/40/84/1377624084.db2.gz VUKSBVYVSPQTGR-UHFFFAOYSA-N -1 3 330.403 3.252 20 10 EGCDHM CC(C)OCc1ncn2c1CN(Cc1cccc(F)c1[O-])CCC2 ZINC001138126591 1377680918 /nfs/dbraw/zinc/68/09/18/1377680918.db2.gz DUSUNFYFTJDKLV-UHFFFAOYSA-N -1 3 333.407 3.059 20 10 EGCDHM CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccc(F)c1[O-] ZINC001138127771 1377681643 /nfs/dbraw/zinc/68/16/43/1377681643.db2.gz OZCWKUOBXNSFBQ-CQSZACIVSA-N -1 3 338.423 3.363 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCN(c2ccccc2)CC1 ZINC001140099188 1378007681 /nfs/dbraw/zinc/00/76/81/1378007681.db2.gz ZKQWKTYGMMBJPS-UHFFFAOYSA-N -1 3 347.256 3.477 20 10 EGCDHM CCn1cc2c(n1)CN(Cc1ccc(Cl)cc1[O-])C[C@H]2COC ZINC001140462575 1378066948 /nfs/dbraw/zinc/06/69/48/1378066948.db2.gz IKRZSZKDBCRWEF-ZDUSSCGKSA-N -1 3 335.835 3.008 20 10 EGCDHM [O-]c1cc(Cl)ccc1CN1CCn2cnc(COCC3CC3)c2C1 ZINC001140467164 1378069052 /nfs/dbraw/zinc/06/90/52/1378069052.db2.gz NNOIWPXCZFGPJV-UHFFFAOYSA-N -1 3 347.846 3.185 20 10 EGCDHM CC(C)(C)OC(=O)N1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142512611 1378451040 /nfs/dbraw/zinc/45/10/40/1378451040.db2.gz GCPCYYFUJQRIEZ-UHFFFAOYSA-N -1 3 342.386 3.113 20 10 EGCDHM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCN1Cc1ccccc1 ZINC001142527475 1378452982 /nfs/dbraw/zinc/45/29/82/1378452982.db2.gz WBKYCQLDTLWPNF-AWEZNQCLSA-N -1 3 332.394 3.377 20 10 EGCDHM C[C@]1(O)CCCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144298387 1378711903 /nfs/dbraw/zinc/71/19/03/1378711903.db2.gz CTPBDESITXNWEH-AWEZNQCLSA-N -1 3 332.213 3.031 20 10 EGCDHM O=C(Nc1cncc(OCc2ccccc2)c1)c1cccc(O)c1[O-] ZINC001148211972 1379134533 /nfs/dbraw/zinc/13/45/33/1379134533.db2.gz FUHFFMDCSZOCSP-UHFFFAOYSA-N -1 3 336.347 3.324 20 10 EGCDHM O=C(NCCSCc1ccccc1Cl)c1cccc(O)c1[O-] ZINC001148220053 1379134889 /nfs/dbraw/zinc/13/48/89/1379134889.db2.gz NMMDOFCSQDVRND-UHFFFAOYSA-N -1 3 337.828 3.414 20 10 EGCDHM CCOc1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157723823 1381015031 /nfs/dbraw/zinc/01/50/31/1381015031.db2.gz FAKFNZMRKFNCTH-UHFFFAOYSA-N -1 3 330.775 3.395 20 10 EGCDHM COc1nc(C)cc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157726355 1381016506 /nfs/dbraw/zinc/01/65/06/1381016506.db2.gz MDDFSTNPDFZZRK-UHFFFAOYSA-N -1 3 330.775 3.313 20 10 EGCDHM [O-]c1c(CNc2ccc3ncnn3c2)cc(Cl)c2cccnc12 ZINC001168521975 1383929221 /nfs/dbraw/zinc/92/92/21/1383929221.db2.gz MOTXBHVKEQZRKA-UHFFFAOYSA-N -1 3 325.759 3.249 20 10 EGCDHM COCc1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncn1 ZINC001168528364 1383930122 /nfs/dbraw/zinc/93/01/22/1383930122.db2.gz UNSRNQIIGZYDNO-UHFFFAOYSA-N -1 3 330.775 3.142 20 10 EGCDHM Nc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3)c2)cc1 ZINC001174304647 1385095407 /nfs/dbraw/zinc/09/54/07/1385095407.db2.gz KQGDNILKYGQKQF-UHFFFAOYSA-N -1 3 331.441 3.060 20 10 EGCDHM Cc1nc(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])cs1 ZINC001176139935 1385494193 /nfs/dbraw/zinc/49/41/93/1385494193.db2.gz LQIJOPAGAUPVSJ-UHFFFAOYSA-N -1 3 347.827 3.218 20 10 EGCDHM CC[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001603573061 973703496 /nfs/dbraw/zinc/70/34/96/973703496.db2.gz DILNEOUCECJYPN-HNNXBMFYSA-N -1 3 329.396 3.172 20 10 EGCDHM C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])Oc1cccc(F)c1 ZINC001592706728 979178529 /nfs/dbraw/zinc/17/85/29/979178529.db2.gz LCDGROCFVSWCJK-RYUDHWBXSA-N -1 3 333.359 3.348 20 10 EGCDHM CCc1cccc(CN2CCOc3cc(C(=O)[O-])ccc3C2)c1O ZINC001597586809 988406307 /nfs/dbraw/zinc/40/63/07/988406307.db2.gz KVHBGYATPQDRNZ-UHFFFAOYSA-N -1 3 327.380 3.047 20 10 EGCDHM C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247726 994467581 /nfs/dbraw/zinc/46/75/81/994467581.db2.gz SCXJSVMKKZMPKY-BBRMVZONSA-N -1 3 344.411 3.171 20 10 EGCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccoc1 ZINC000158020787 455259974 /nfs/dbraw/zinc/25/99/74/455259974.db2.gz LLDQOYZRDQANAG-HNNXBMFYSA-N -1 3 334.803 3.033 20 10 EGCDHM Cc1nccn1-c1ccc(CNCc2c([O-])ccc(Cl)c2F)cn1 ZINC000190802308 455385104 /nfs/dbraw/zinc/38/51/04/455385104.db2.gz VYPBZBBPVOIBIF-UHFFFAOYSA-N -1 3 346.793 3.364 20 10 EGCDHM CC[C@H](C)OCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000124787246 454770032 /nfs/dbraw/zinc/77/00/32/454770032.db2.gz OWMFQJUKUGJXLU-NSHDSACASA-N -1 3 344.249 3.318 20 10 EGCDHM C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N(C)Cc1ccccc1[O-] ZINC000109772394 454835766 /nfs/dbraw/zinc/83/57/66/454835766.db2.gz FOPYVQNCNONBSG-AWEZNQCLSA-N -1 3 330.403 3.010 20 10 EGCDHM [O-]c1ccccc1C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCCO1 ZINC000179882142 455093153 /nfs/dbraw/zinc/09/31/53/455093153.db2.gz PXQAXVJOARUBHB-KRWDZBQOSA-N -1 3 331.387 3.418 20 10 EGCDHM [O-]c1ccccc1C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCCO1 ZINC000179882142 455093156 /nfs/dbraw/zinc/09/31/56/455093156.db2.gz PXQAXVJOARUBHB-KRWDZBQOSA-N -1 3 331.387 3.418 20 10 EGCDHM NC(=O)c1ccc(CN(Cc2c([O-])cccc2Cl)C2CC2)c(F)c1 ZINC000292220382 455599161 /nfs/dbraw/zinc/59/91/61/455599161.db2.gz ACHMTVOJZJSGHT-UHFFFAOYSA-N -1 3 348.805 3.448 20 10 EGCDHM C[C@H](c1ccc(F)cc1)N1CC[C@@H](N(C)Cc2ccccc2[O-])C1=O ZINC000292767074 455752628 /nfs/dbraw/zinc/75/26/28/455752628.db2.gz JHCQOSRGNVRYDE-RDTXWAMCSA-N -1 3 342.414 3.325 20 10 EGCDHM CCOC(=O)[C@H](F)C1CN(Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000293909288 455800677 /nfs/dbraw/zinc/80/06/77/455800677.db2.gz LRPOZEXZJJXJSF-LJQANCHMSA-N -1 3 343.398 3.392 20 10 EGCDHM COc1ccncc1CN[C@H](C)c1ccc(Br)cc1[O-] ZINC000294334630 455811560 /nfs/dbraw/zinc/81/15/60/455811560.db2.gz PEHYAGYZGQZZAN-SNVBAGLBSA-N -1 3 337.217 3.409 20 10 EGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(C)c(C)c1O ZINC000187060359 455867561 /nfs/dbraw/zinc/86/75/61/455867561.db2.gz QSZMFAIRZREMFF-UHFFFAOYSA-N -1 3 333.409 3.053 20 10 EGCDHM CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000280210157 455917755 /nfs/dbraw/zinc/91/77/55/455917755.db2.gz TZZROLANKZWWJC-JTQLQIEISA-N -1 3 343.445 3.237 20 10 EGCDHM C[C@@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000286868426 456055622 /nfs/dbraw/zinc/05/56/22/456055622.db2.gz BOIWQAADAWZAFI-SJKOYZFVSA-N -1 3 347.390 3.393 20 10 EGCDHM [O-]c1ccccc1CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000289143620 456116564 /nfs/dbraw/zinc/11/65/64/456116564.db2.gz ALASXKHLDWQTRO-GDBMZVCRSA-N -1 3 329.400 3.354 20 10 EGCDHM Cc1cnn([C@H]2CCN(Cc3cc(Br)ccc3[O-])C2)c1 ZINC000290868958 456453445 /nfs/dbraw/zinc/45/34/45/456453445.db2.gz KCOCSXXKABSHKE-AWEZNQCLSA-N -1 3 336.233 3.107 20 10 EGCDHM CN(C)C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000282656466 456582920 /nfs/dbraw/zinc/58/29/20/456582920.db2.gz IIGAWTVAJGRLOP-INIZCTEOSA-N -1 3 349.818 3.346 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000363949107 457466113 /nfs/dbraw/zinc/46/61/13/457466113.db2.gz SVCZQYLDYBUDFA-UHFFFAOYSA-N -1 3 342.782 3.431 20 10 EGCDHM CCOC[C@@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000530107683 458687147 /nfs/dbraw/zinc/68/71/47/458687147.db2.gz UJXZGHROFDFFFR-AWEZNQCLSA-N -1 3 345.439 3.255 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](NCc2ccc(F)cn2)C1 ZINC000529552079 459830701 /nfs/dbraw/zinc/83/07/01/459830701.db2.gz XPKOYUMTITVSPT-KRWDZBQOSA-N -1 3 349.837 3.334 20 10 EGCDHM [O-]c1ccccc1CN(Cc1nnnn1-c1ccccc1)C1CCCC1 ZINC000731846380 575211795 /nfs/dbraw/zinc/21/17/95/575211795.db2.gz XMFMQFFUJBTEBP-UHFFFAOYSA-N -1 3 349.438 3.313 20 10 EGCDHM O=C(NCc1cc(F)ccc1Br)c1cc([O-])cs1 ZINC000731870704 575213683 /nfs/dbraw/zinc/21/36/83/575213683.db2.gz NCMGVQTUSNHQLC-UHFFFAOYSA-N -1 3 330.178 3.285 20 10 EGCDHM O=C(COC(=O)c1cc([O-])cs1)Nc1ccc(F)c(Cl)c1 ZINC000731912637 575218479 /nfs/dbraw/zinc/21/84/79/575218479.db2.gz WBBSBGLTUUTGBK-UHFFFAOYSA-N -1 3 329.736 3.042 20 10 EGCDHM Cc1ccccc1C1(CNC(=O)c2cc([O-])cs2)CCOCC1 ZINC000732275977 575252911 /nfs/dbraw/zinc/25/29/11/575252911.db2.gz MGGLCKHZHQNQGV-UHFFFAOYSA-N -1 3 331.437 3.240 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000732284289 575255041 /nfs/dbraw/zinc/25/50/41/575255041.db2.gz OLLIVKMMNHFOLS-CYBMUJFWSA-N -1 3 341.791 3.460 20 10 EGCDHM COc1ccc(NC(=O)c2cc([O-])cs2)cc1Br ZINC000732831546 575290657 /nfs/dbraw/zinc/29/06/57/575290657.db2.gz VPXSFMQJYYBPOC-UHFFFAOYSA-N -1 3 328.187 3.477 20 10 EGCDHM COc1cc(F)c([C@H](C)NC(=O)c2cc([O-])cs2)cc1OC ZINC000734016566 575427280 /nfs/dbraw/zinc/42/72/80/575427280.db2.gz SVPVELJJBVOPFU-QMMMGPOBSA-N -1 3 325.361 3.101 20 10 EGCDHM Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000735326946 575644446 /nfs/dbraw/zinc/64/44/46/575644446.db2.gz SDCYNCWTDUAZNL-ZDUSSCGKSA-N -1 3 334.416 3.300 20 10 EGCDHM Cc1cc([O-])c(C[N@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1C ZINC000738464010 576328878 /nfs/dbraw/zinc/32/88/78/576328878.db2.gz VAKBXHGMBMJBBM-UHFFFAOYSA-N -1 3 335.350 3.374 20 10 EGCDHM Cc1cc([O-])c(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1C ZINC000738464010 576328879 /nfs/dbraw/zinc/32/88/79/576328879.db2.gz VAKBXHGMBMJBBM-UHFFFAOYSA-N -1 3 335.350 3.374 20 10 EGCDHM O=C([O-])N1CCC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000739929078 576521483 /nfs/dbraw/zinc/52/14/83/576521483.db2.gz VIYYYDIIENRTOL-KRWDZBQOSA-N -1 3 326.396 3.291 20 10 EGCDHM COC[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000742154361 576752261 /nfs/dbraw/zinc/75/22/61/576752261.db2.gz IHRKLYGNYPSBGZ-AWEZNQCLSA-N -1 3 327.380 3.139 20 10 EGCDHM COc1ccc(Cl)c(NC(=S)NN=c2nc(C)cc(C)[n-]2)c1 ZINC000742969986 576798292 /nfs/dbraw/zinc/79/82/92/576798292.db2.gz ARJADDPLMIUXJN-UHFFFAOYSA-N -1 3 337.836 3.069 20 10 EGCDHM CN(C)c1ccc(CNc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000821589639 599315224 /nfs/dbraw/zinc/31/52/24/599315224.db2.gz WXFQVVHKPMHWJR-UHFFFAOYSA-N -1 3 328.807 3.198 20 10 EGCDHM CN(C)c1ccc(CNc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000821589639 599315225 /nfs/dbraw/zinc/31/52/25/599315225.db2.gz WXFQVVHKPMHWJR-UHFFFAOYSA-N -1 3 328.807 3.198 20 10 EGCDHM CN(Cc1ccc(N2CCCCC2)cc1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000833695744 605041497 /nfs/dbraw/zinc/04/14/97/605041497.db2.gz VELHZWUIFMLHBM-LJQANCHMSA-N -1 3 339.439 3.330 20 10 EGCDHM COCCN(Cc1ccccc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079385197 1292556665 /nfs/dbraw/zinc/55/66/65/1292556665.db2.gz BOJGAGHKZIOZCT-UHFFFAOYSA-N -1 3 331.387 3.383 20 10 EGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829926777 1292642113 /nfs/dbraw/zinc/64/21/13/1292642113.db2.gz DZMIJVZLLSNYQH-UHFFFAOYSA-N -1 3 333.409 3.297 20 10 EGCDHM CS(=O)(=O)Cc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000124159012 1293469103 /nfs/dbraw/zinc/46/91/03/1293469103.db2.gz QBHIXFGJAJFCEE-UHFFFAOYSA-N -1 3 325.817 3.202 20 10 EGCDHM O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cccc(O)c1[O-] ZINC000188146820 1295441267 /nfs/dbraw/zinc/44/12/67/1295441267.db2.gz LIOZLRKAMZMUPJ-UHFFFAOYSA-N -1 3 346.346 3.084 20 10 EGCDHM COC(=O)CN(C/C(Cl)=C\Cl)Cc1cc(Cl)ccc1[O-] ZINC000255412949 1296530629 /nfs/dbraw/zinc/53/06/29/1296530629.db2.gz WOTAPIFCTMERGV-VZUCSPMQSA-N -1 3 338.618 3.340 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c([O-])c1O ZINC000751535244 1299564934 /nfs/dbraw/zinc/56/49/34/1299564934.db2.gz OVCPHKZIPBETOQ-HNNXBMFYSA-N -1 3 343.379 3.216 20 10 EGCDHM O=C(c1cccc(F)c1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768251401 1302865697 /nfs/dbraw/zinc/86/56/97/1302865697.db2.gz DSMGWUWKEGCWKC-UHFFFAOYSA-N -1 3 348.805 3.143 20 10 EGCDHM CC(=O)OCCCc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000768432869 1302902110 /nfs/dbraw/zinc/90/21/10/1302902110.db2.gz GWNQIOXURUPOKC-UHFFFAOYSA-N -1 3 343.379 3.154 20 10 EGCDHM COc1c([O-])c(CN2CCOc3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC000775067346 1303899701 /nfs/dbraw/zinc/89/97/01/1303899701.db2.gz ALJPBVRFJFMKRW-UHFFFAOYSA-N -1 3 330.340 3.016 20 10 EGCDHM CCCCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cn1 ZINC000775073848 1303902251 /nfs/dbraw/zinc/90/22/51/1303902251.db2.gz IOKSQTMGHVTBCG-UHFFFAOYSA-N -1 3 347.371 3.495 20 10 EGCDHM COc1c([O-])c(CN(C)Cc2cc(C)ccc2F)ccc1[N+](=O)[O-] ZINC000775167392 1303918272 /nfs/dbraw/zinc/91/82/72/1303918272.db2.gz GDEPEWIUZNTMBH-UHFFFAOYSA-N -1 3 334.347 3.389 20 10 EGCDHM CCOC(=O)CN(CCc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000779019008 1304518197 /nfs/dbraw/zinc/51/81/97/1304518197.db2.gz NUSWGUMBNMPMBI-UHFFFAOYSA-N -1 3 331.387 3.139 20 10 EGCDHM COC(=O)[C@H](NCc1cc(Cl)ccc1[O-])c1ccc(OC)cc1 ZINC000779179505 1304538990 /nfs/dbraw/zinc/53/89/90/1304538990.db2.gz QVRDRWQCGWQPDJ-MRXNPFEDSA-N -1 3 335.787 3.058 20 10 EGCDHM CO[C@@]1(C(F)(F)F)CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000781985843 1304898007 /nfs/dbraw/zinc/89/80/07/1304898007.db2.gz PVVJVHJFDVZHGU-HNNXBMFYSA-N -1 3 349.324 3.277 20 10 EGCDHM C[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])[C@H]1CO ZINC000894535278 1308943590 /nfs/dbraw/zinc/94/35/90/1308943590.db2.gz YGTXAWPPTDMBQG-UFBFGSQYSA-N -1 3 334.641 3.011 20 10 EGCDHM Cc1cc(N(C)C)nc(NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000800724016 1310797675 /nfs/dbraw/zinc/79/76/75/1310797675.db2.gz YIPCCSIFAZVLEN-UHFFFAOYSA-N -1 3 327.215 3.476 20 10 EGCDHM Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)ccn2)c([O-])c1O ZINC000857746289 1328594021 /nfs/dbraw/zinc/59/40/21/1328594021.db2.gz DMEYCSLOCJNADO-UHFFFAOYSA-N -1 3 344.367 3.009 20 10 EGCDHM COC[C@H]1COCCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000902563041 1317594175 /nfs/dbraw/zinc/59/41/75/1317594175.db2.gz IHDMNKDBIOWJCO-AWEZNQCLSA-N -1 3 327.380 3.139 20 10 EGCDHM Cc1cc(Br)c([O-])c(CNc2cccc3c2CNC3=O)c1 ZINC000808419564 1317673106 /nfs/dbraw/zinc/67/31/06/1317673106.db2.gz JUDYFYHRSGAGNE-UHFFFAOYSA-N -1 3 347.212 3.319 20 10 EGCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816496482 1319166546 /nfs/dbraw/zinc/16/65/46/1319166546.db2.gz LVEGZOVLHPDCMG-NSHDSACASA-N -1 3 344.814 3.284 20 10 EGCDHM CC(C)n1cc(C(C)(C)NCc2cc(Cl)c(F)cc2[O-])nn1 ZINC000817420121 1319356735 /nfs/dbraw/zinc/35/67/35/1319356735.db2.gz OKNZSKYWDPRHPI-UHFFFAOYSA-N -1 3 326.803 3.382 20 10 EGCDHM Cc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c(C)n1-c1ccccn1 ZINC000820213886 1319853259 /nfs/dbraw/zinc/85/32/59/1319853259.db2.gz RPTSSTFFHRMJTB-UHFFFAOYSA-N -1 3 347.378 3.323 20 10 EGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000823752368 1320203971 /nfs/dbraw/zinc/20/39/71/1320203971.db2.gz FBLYEBAKDYYZKJ-GFCCVEGCSA-N -1 3 338.285 3.495 20 10 EGCDHM C/C=C\C[C@@H](NCc1ccc(Br)cc1[O-])C(=O)OCC ZINC000825692282 1320355785 /nfs/dbraw/zinc/35/57/85/1320355785.db2.gz HHACPXMGMUNUKA-HSBHDXMMSA-N -1 3 342.233 3.142 20 10 EGCDHM COc1c([O-])c(CNc2ccc3c(c2)CCCN3)ccc1[N+](=O)[O-] ZINC000841037748 1321206472 /nfs/dbraw/zinc/20/64/72/1321206472.db2.gz WPVCSFZCFYRJII-UHFFFAOYSA-N -1 3 329.356 3.279 20 10 EGCDHM COC1(C(F)(F)F)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000842160175 1321355984 /nfs/dbraw/zinc/35/59/84/1321355984.db2.gz DOAKVPFVKAONTF-UHFFFAOYSA-N -1 3 349.324 3.277 20 10 EGCDHM CC[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1cc(Cl)ccc1[O-] ZINC000848556726 1321976580 /nfs/dbraw/zinc/97/65/80/1321976580.db2.gz CPQYGHUJDQXYKO-TZMCWYRMSA-N -1 3 336.823 3.256 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)c([O-])c1O ZINC000855084984 1325342329 /nfs/dbraw/zinc/34/23/29/1325342329.db2.gz DKUZXBNKEPLXFG-UHFFFAOYSA-N -1 3 342.395 3.044 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000856326172 1325479256 /nfs/dbraw/zinc/47/92/56/1325479256.db2.gz RRAMITVGWDKLEU-UHFFFAOYSA-N -1 3 337.375 3.178 20 10 EGCDHM [O-]c1cccc(Br)c1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000862380392 1329480219 /nfs/dbraw/zinc/48/02/19/1329480219.db2.gz FBXUJWCVCGKBAC-HZPDHXFCSA-N -1 3 338.245 3.298 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])cc(Br)cc2F)CCC[C@]1(C)O ZINC001233029124 1376557794 /nfs/dbraw/zinc/55/77/94/1376557794.db2.gz ZDUJBAMYKBKEBU-BMIGLBTASA-N -1 3 346.240 3.277 20 10 EGCDHM O=C(NC1CC1)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001324743728 1387759133 /nfs/dbraw/zinc/75/91/33/1387759133.db2.gz FHBGHLYQMBPWTN-SNVBAGLBSA-N -1 3 343.254 3.190 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])Nc1cccnc1 ZINC001185704834 1387783151 /nfs/dbraw/zinc/78/31/51/1387783151.db2.gz FZSBYHHQJITVJO-UHFFFAOYSA-N -1 3 328.759 3.311 20 10 EGCDHM O=C1CCCC2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)N1 ZINC001203577994 1370177552 /nfs/dbraw/zinc/17/75/52/1370177552.db2.gz IYHJWGSKZZSQTD-UHFFFAOYSA-N -1 3 343.254 3.334 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CC(Oc2ccccc2)C1 ZINC001203642610 1370198789 /nfs/dbraw/zinc/19/87/89/1370198789.db2.gz LOPSCIJAOGICCU-UHFFFAOYSA-N -1 3 334.213 3.418 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H]1c1ncccn1 ZINC001203648592 1370200250 /nfs/dbraw/zinc/20/02/50/1370200250.db2.gz NAVDTFMNPLKQRZ-CYBMUJFWSA-N -1 3 334.217 3.282 20 10 EGCDHM CC(C)(C)OC(=O)NCC1(C)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203664378 1370207384 /nfs/dbraw/zinc/20/73/84/1370207384.db2.gz CCNMAMODMHBBRV-UHFFFAOYSA-N -1 3 340.851 3.392 20 10 EGCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC[C@H]3CCC=CO3)cccc21 ZINC001226379351 1375248619 /nfs/dbraw/zinc/24/86/19/1375248619.db2.gz CUTDNKIXRTYKLD-GFCCVEGCSA-N -1 3 336.343 3.239 20 10 EGCDHM O=C1CCC(Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)CC1 ZINC001229185818 1375783872 /nfs/dbraw/zinc/78/38/72/1375783872.db2.gz CLBSJZPTJNSYIT-UHFFFAOYSA-N -1 3 336.343 3.058 20 10 EGCDHM O=C([O-])c1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC001231446305 1376242997 /nfs/dbraw/zinc/24/29/97/1376242997.db2.gz GNIIUHSFYGSINC-UHFFFAOYSA-N -1 3 339.391 3.185 20 10 EGCDHM Cc1ccc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)c(C)c1 ZINC001231566289 1376266775 /nfs/dbraw/zinc/26/67/75/1376266775.db2.gz WMDZZWKEFHGXDD-UHFFFAOYSA-N -1 3 340.423 3.029 20 10 EGCDHM COC(=O)c1cccc2c1CCN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232263250 1376425866 /nfs/dbraw/zinc/42/58/66/1376425866.db2.gz LUOXMYXSYDCFSC-UHFFFAOYSA-N -1 3 347.798 3.096 20 10 EGCDHM COC(=O)c1cccc2c1CN(Cc1cc(Cl)c(OC)cc1[O-])C2 ZINC001232269951 1376427088 /nfs/dbraw/zinc/42/70/88/1376427088.db2.gz PBGKGVZYPZOJNZ-UHFFFAOYSA-N -1 3 347.798 3.357 20 10 EGCDHM CCCc1noc(C2CCN(Cc3ccc(F)c(F)c3[O-])CC2)n1 ZINC001233078399 1376564768 /nfs/dbraw/zinc/56/47/68/1376564768.db2.gz UUCLFKHPTNSXLE-UHFFFAOYSA-N -1 3 337.370 3.386 20 10 EGCDHM [O-]c1c(CN2CCC(O)(c3ccc(F)cc3)CC2)ccc(F)c1F ZINC001233077517 1376564955 /nfs/dbraw/zinc/56/49/55/1376564955.db2.gz QMVGRRSPPWPEOT-UHFFFAOYSA-N -1 3 337.341 3.293 20 10 EGCDHM COc1ccc(N2CCN(Cc3c(F)ccc([O-])c3F)CC2)c(C)c1 ZINC001233397331 1376637640 /nfs/dbraw/zinc/63/76/40/1376637640.db2.gz VETUXZSFRRSDAD-UHFFFAOYSA-N -1 3 348.393 3.310 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1c([O-])cccc1F ZINC001137831954 1377623832 /nfs/dbraw/zinc/62/38/32/1377623832.db2.gz ULOJRMFGCUOSHT-ZDUSSCGKSA-N -1 3 338.423 3.411 20 10 EGCDHM C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1Cc1cccc(F)c1[O-] ZINC001138128549 1377681365 /nfs/dbraw/zinc/68/13/65/1377681365.db2.gz QRYKTFUHUSPZSJ-TZMCWYRMSA-N -1 3 338.423 3.409 20 10 EGCDHM CCOCc1cnc2n1CCN(Cc1c([O-])cccc1Cl)[C@H]2C ZINC001140340666 1378049533 /nfs/dbraw/zinc/04/95/33/1378049533.db2.gz ZFMKNDBXROFJQD-LBPRGKRZSA-N -1 3 335.835 3.355 20 10 EGCDHM [O-]c1cc(Cl)ccc1CN1CCN(c2cc(Cl)ccn2)CC1 ZINC001140466981 1378069158 /nfs/dbraw/zinc/06/91/58/1378069158.db2.gz OORZZTLQNWUPEW-UHFFFAOYSA-N -1 3 338.238 3.416 20 10 EGCDHM COc1ccccc1O[C@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140584543 1378090503 /nfs/dbraw/zinc/09/05/03/1378090503.db2.gz WFFHHZISLZCMNG-ZDUSSCGKSA-N -1 3 335.350 3.332 20 10 EGCDHM C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142524766 1378453279 /nfs/dbraw/zinc/45/32/79/1378453279.db2.gz JODFKZRAWUCLDY-CQSZACIVSA-N -1 3 332.394 3.377 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnoc1C1CC1 ZINC001147666106 1379057575 /nfs/dbraw/zinc/05/75/75/1379057575.db2.gz FIKFYKYIVDGGKN-UHFFFAOYSA-N -1 3 343.770 3.389 20 10 EGCDHM COc1cccc([C@@H]2CSCCN2C(=O)c2cccc(O)c2[O-])c1 ZINC001148218639 1379134628 /nfs/dbraw/zinc/13/46/28/1379134628.db2.gz JHBBDWAEWYRNFB-HNNXBMFYSA-N -1 3 345.420 3.037 20 10 EGCDHM O=C(Nc1cccc(OC(F)(F)F)c1F)c1cccc(O)c1[O-] ZINC001148218917 1379134822 /nfs/dbraw/zinc/13/48/22/1379134822.db2.gz NZWUJNYYVCTUQH-UHFFFAOYSA-N -1 3 331.221 3.388 20 10 EGCDHM O=C(NC1(c2cccc3ccccc32)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148590188 1379218199 /nfs/dbraw/zinc/21/81/99/1379218199.db2.gz DQMJODZXKPCRPL-UHFFFAOYSA-N -1 3 335.359 3.376 20 10 EGCDHM COC(=O)c1cccc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157724416 1381015603 /nfs/dbraw/zinc/01/56/03/1381015603.db2.gz OYRDRUPTKORKIF-UHFFFAOYSA-N -1 3 343.770 3.388 20 10 EGCDHM CN(C)c1nccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157724377 1381015681 /nfs/dbraw/zinc/01/56/81/1381015681.db2.gz NDVPYRPJTNXNSN-UHFFFAOYSA-N -1 3 329.791 3.062 20 10 EGCDHM NC(=S)c1cccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527179 1383930154 /nfs/dbraw/zinc/93/01/54/1383930154.db2.gz FJLAUOANKJTFNC-UHFFFAOYSA-N -1 3 344.827 3.235 20 10 EGCDHM COc1c([O-])c(CNCc2cccc(Cl)c2F)ccc1[N+](=O)[O-] ZINC001321018363 1386785010 /nfs/dbraw/zinc/78/50/10/1386785010.db2.gz ATLJGQCQQLPKGA-UHFFFAOYSA-N -1 3 340.738 3.391 20 10 EGCDHM CCN(CC)[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccco1 ZINC001596256186 983666872 /nfs/dbraw/zinc/66/68/72/983666872.db2.gz NILYZMOMOLXJRT-XJKSGUPXSA-N -1 3 346.427 3.417 20 10 EGCDHM C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593210512 994249636 /nfs/dbraw/zinc/24/96/36/994249636.db2.gz QXVOZGIHLHHIAV-SUMWQHHRSA-N -1 3 329.396 3.255 20 10 EGCDHM C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001594169031 998651739 /nfs/dbraw/zinc/65/17/39/998651739.db2.gz ZGZJGCWQPUEHFQ-KBXCAEBGSA-N -1 3 341.407 3.266 20 10 EGCDHM C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001594169031 998651740 /nfs/dbraw/zinc/65/17/40/998651740.db2.gz ZGZJGCWQPUEHFQ-KBXCAEBGSA-N -1 3 341.407 3.266 20 10 EGCDHM CCN(CC)c1ccc(CN(C)C(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000009115816 453244206 /nfs/dbraw/zinc/24/42/06/453244206.db2.gz VVVYBEXQYASJHG-UHFFFAOYSA-N -1 3 337.427 3.076 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCCS1 ZINC000075416673 453891755 /nfs/dbraw/zinc/89/17/55/453891755.db2.gz GZQWOEDUZPJQCR-ZDUSSCGKSA-N -1 3 344.274 3.399 20 10 EGCDHM CSc1ccc(CN(C)C(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000121137976 454397232 /nfs/dbraw/zinc/39/72/32/454397232.db2.gz CGMFAHQVIIPXPO-UHFFFAOYSA-N -1 3 344.480 3.205 20 10 EGCDHM COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000184883545 455466166 /nfs/dbraw/zinc/46/61/66/455466166.db2.gz HEZMUGZEAJNYAT-NSHDSACASA-N -1 3 335.375 3.408 20 10 EGCDHM COCCN(CCCc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182246331 455471112 /nfs/dbraw/zinc/47/11/12/455471112.db2.gz QAFBSJJXQQBCAH-UHFFFAOYSA-N -1 3 343.423 3.128 20 10 EGCDHM C[C@@H](NCc1cccnc1N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000184986142 455482110 /nfs/dbraw/zinc/48/21/10/455482110.db2.gz XOKNQKSEASABAQ-CYBMUJFWSA-N -1 3 347.846 3.128 20 10 EGCDHM Cc1ccc(C(=O)N(C)Cc2cccc(OC(C)C)c2)c([O-])c1O ZINC000182905022 455188965 /nfs/dbraw/zinc/18/89/65/455188965.db2.gz NPZAKGPCUAHAEO-UHFFFAOYSA-N -1 3 329.396 3.466 20 10 EGCDHM C[C@H](N[C@@H](C)c1cc(Cl)ccc1[O-])C(=O)NCc1ccccc1 ZINC000185183811 455518055 /nfs/dbraw/zinc/51/80/55/455518055.db2.gz BUROTOIIUZELCV-STQMWFEESA-N -1 3 332.831 3.401 20 10 EGCDHM CCOCCOCc1cccc(NC(=O)c2cccc(O)c2[O-])c1C ZINC000279092094 455857814 /nfs/dbraw/zinc/85/78/14/455857814.db2.gz GGFTXSDUQKATLM-UHFFFAOYSA-N -1 3 345.395 3.212 20 10 EGCDHM COc1ncc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000296359505 455917186 /nfs/dbraw/zinc/91/71/86/455917186.db2.gz IROWUXMWEJSYCZ-SECBINFHSA-N -1 3 337.763 3.208 20 10 EGCDHM COc1ccc([C@@H](CCO)N[C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000187763817 455949856 /nfs/dbraw/zinc/94/98/56/455949856.db2.gz AFGIQCQPQXVEDA-MEDUHNTESA-N -1 3 337.366 3.453 20 10 EGCDHM CC[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287764476 456077364 /nfs/dbraw/zinc/07/73/64/456077364.db2.gz RDLGGPKIHKRNOP-KGLIPLIRSA-N -1 3 344.242 3.207 20 10 EGCDHM [O-]c1ccc(Br)cc1CNCc1noc2c1CCCC2 ZINC000288415226 456095379 /nfs/dbraw/zinc/09/53/79/456095379.db2.gz JFXJPPXKJIYEOM-UHFFFAOYSA-N -1 3 337.217 3.311 20 10 EGCDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCC[C@](F)(CO)C1 ZINC000289736802 456139457 /nfs/dbraw/zinc/13/94/57/456139457.db2.gz IFUFWRRTBINMEX-HXUWFJFHSA-N -1 3 345.414 3.268 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(OC(C)C)nc2)c1 ZINC000273426652 456230460 /nfs/dbraw/zinc/23/04/60/456230460.db2.gz UJEGGMHKZNGVBR-ZDUSSCGKSA-N -1 3 344.411 3.212 20 10 EGCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1O ZINC000273425095 456230741 /nfs/dbraw/zinc/23/07/41/456230741.db2.gz TYEUCJSEGKVGBW-ZBFHGGJFSA-N -1 3 345.370 3.195 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nc(C3CC3)cs2)c1 ZINC000273473513 456233473 /nfs/dbraw/zinc/23/34/73/456233473.db2.gz KEHZAFKNYZIVEY-JTQLQIEISA-N -1 3 332.425 3.364 20 10 EGCDHM CCc1nnc([C@@H](C)N[C@H](C)c2ccc(Br)cc2[O-])[nH]1 ZINC000273490587 456235393 /nfs/dbraw/zinc/23/53/93/456235393.db2.gz OEQJLYSZMQBQLJ-RKDXNWHRSA-N -1 3 339.237 3.247 20 10 EGCDHM Cn1cc(CNCc2cccc(Br)c2[O-])c(C(F)F)n1 ZINC000291035805 456504535 /nfs/dbraw/zinc/50/45/35/456504535.db2.gz JVUGGOFHEHNUJV-UHFFFAOYSA-N -1 3 346.175 3.116 20 10 EGCDHM COc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])cc1[N+](=O)[O-] ZINC000276881270 456609862 /nfs/dbraw/zinc/60/98/62/456609862.db2.gz GBCUYMGVJMFXCA-VIFPVBQESA-N -1 3 338.310 3.438 20 10 EGCDHM O=C(CC1CCCC1)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000378500619 457404351 /nfs/dbraw/zinc/40/43/51/457404351.db2.gz UIRGGJXACSVVNO-UHFFFAOYSA-N -1 3 334.435 3.146 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000365250599 457732476 /nfs/dbraw/zinc/73/24/76/457732476.db2.gz ADMUWYRZALRADD-GFCCVEGCSA-N -1 3 343.826 3.202 20 10 EGCDHM Cc1ccc(C(=O)N2CC[C@]3(C2)CCc2ccccc2O3)c([O-])c1O ZINC000366452132 457812980 /nfs/dbraw/zinc/81/29/80/457812980.db2.gz BGBIQSZGBDQYKH-FQEVSTJZSA-N -1 3 339.391 3.016 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(OCc2ccccc2F)CC1 ZINC000375693475 458024050 /nfs/dbraw/zinc/02/40/50/458024050.db2.gz SHGWGXBTOZOWEW-UHFFFAOYSA-N -1 3 345.370 3.058 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000731867259 575216273 /nfs/dbraw/zinc/21/62/73/575216273.db2.gz PMZTWVFKRYARRX-CYBMUJFWSA-N -1 3 331.393 3.202 20 10 EGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1cccc2ncccc21 ZINC000731910872 575218623 /nfs/dbraw/zinc/21/86/23/575218623.db2.gz FEYCNEMVUJZENH-SNVBAGLBSA-N -1 3 342.376 3.186 20 10 EGCDHM Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000732278427 575250973 /nfs/dbraw/zinc/25/09/73/575250973.db2.gz MLNGWONKJWFIBX-CQSZACIVSA-N -1 3 327.409 3.318 20 10 EGCDHM COc1ccc(CNC(=O)c2cc([O-])cs2)cc1Br ZINC000732282008 575254201 /nfs/dbraw/zinc/25/42/01/575254201.db2.gz JNQLYAFAWWFKIQ-UHFFFAOYSA-N -1 3 342.214 3.155 20 10 EGCDHM O=C(COC(=O)c1cc([O-])cs1)Nc1ccc(F)cc1Cl ZINC000732352730 575261425 /nfs/dbraw/zinc/26/14/25/575261425.db2.gz DKGYDWMNXOXCMF-UHFFFAOYSA-N -1 3 329.736 3.042 20 10 EGCDHM CC(C)[C@H](CNC(=O)COC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732352617 575261474 /nfs/dbraw/zinc/26/14/74/575261474.db2.gz AIYVLLYEIMPYMO-HNNXBMFYSA-N -1 3 347.436 3.167 20 10 EGCDHM O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc([O-])cs1 ZINC000734551213 575511326 /nfs/dbraw/zinc/51/13/26/575511326.db2.gz MPYMXEMIMQIEGB-UHFFFAOYSA-N -1 3 335.772 3.087 20 10 EGCDHM CC(C)(C)c1cc(O)c([O-])c(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000736294735 575928397 /nfs/dbraw/zinc/92/83/97/575928397.db2.gz PTDOQGQRRZTKAZ-AWEZNQCLSA-N -1 3 333.428 3.082 20 10 EGCDHM O=C(O[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc([O-])cs1 ZINC000740243770 576569169 /nfs/dbraw/zinc/56/91/69/576569169.db2.gz BMAVSRBZXUUQEE-LBPRGKRZSA-N -1 3 337.784 3.069 20 10 EGCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)CCN1Cc1ccccc1 ZINC000743810123 576816200 /nfs/dbraw/zinc/81/62/00/576816200.db2.gz ADYGUHVOWSRKAN-CQSZACIVSA-N -1 3 330.453 3.190 20 10 EGCDHM [O-]c1ccccc1CN(Cc1ccco1)Cc1nnc(C2CC2)o1 ZINC000744398376 576827120 /nfs/dbraw/zinc/82/71/20/576827120.db2.gz PTAGACLTUZNYNO-UHFFFAOYSA-N -1 3 325.368 3.448 20 10 EGCDHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1 ZINC000029046077 1291320608 /nfs/dbraw/zinc/32/06/08/1291320608.db2.gz XUGDULAJBXJIOT-UHFFFAOYSA-N -1 3 349.408 3.251 20 10 EGCDHM CN(C)C(=O)COc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000114762461 1293176673 /nfs/dbraw/zinc/17/66/73/1293176673.db2.gz IBDSEQMKNJQYPE-UHFFFAOYSA-N -1 3 334.803 3.125 20 10 EGCDHM CN(Cc1csc(Br)c1)C(=O)c1cccc(O)c1[O-] ZINC000126177162 1293527058 /nfs/dbraw/zinc/52/70/58/1293527058.db2.gz ZHVSBNJWBFIHEF-UHFFFAOYSA-N -1 3 342.214 3.194 20 10 EGCDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000160589115 1294271848 /nfs/dbraw/zinc/27/18/48/1294271848.db2.gz ZCGHVYCCLPVFIH-UHFFFAOYSA-N -1 3 340.471 3.367 20 10 EGCDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])n(Cc2ccccc2)n1 ZINC000179447648 1294796482 /nfs/dbraw/zinc/79/64/82/1294796482.db2.gz FDRODRJSBWPFSV-UHFFFAOYSA-N -1 3 337.379 3.212 20 10 EGCDHM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cccc(O)c1[O-] ZINC000185832926 1295289421 /nfs/dbraw/zinc/28/94/21/1295289421.db2.gz TVYAPBJDIPARKJ-JTQLQIEISA-N -1 3 328.393 3.069 20 10 EGCDHM Cc1noc(C)c1CNCc1cc(Br)cc(F)c1[O-] ZINC000715776640 1298285929 /nfs/dbraw/zinc/28/59/29/1298285929.db2.gz BJPCLJONNPTVIF-UHFFFAOYSA-N -1 3 329.169 3.188 20 10 EGCDHM CC(C)O[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715819263 1298288779 /nfs/dbraw/zinc/28/87/79/1298288779.db2.gz VDWBVSYOQFEDAK-GFCCVEGCSA-N -1 3 332.213 3.293 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](OCC(F)(F)F)C2)c1[O-] ZINC000750819749 1299458338 /nfs/dbraw/zinc/45/83/38/1299458338.db2.gz GUKSEHOAEQHFBX-ZDUSSCGKSA-N -1 3 349.324 3.277 20 10 EGCDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccccc32)[C@H]2CCCC[C@H]21 ZINC000754011744 1300063379 /nfs/dbraw/zinc/06/33/79/1300063379.db2.gz KWOQIOMLLQCCCZ-PKOBYXMFSA-N -1 3 345.464 3.087 20 10 EGCDHM O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000754747161 1300207578 /nfs/dbraw/zinc/20/75/78/1300207578.db2.gz NTEVYFPDKFZKNM-ZDUSSCGKSA-N -1 3 329.249 3.270 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(NC(C)=O)cc2)c1 ZINC000756866296 1300581334 /nfs/dbraw/zinc/58/13/34/1300581334.db2.gz ZTHPLWYOAKRAIR-LLVKDONJSA-N -1 3 328.368 3.310 20 10 EGCDHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000773086673 1303622724 /nfs/dbraw/zinc/62/27/24/1303622724.db2.gz FTJFGOJHDNUBTF-NSHDSACASA-N -1 3 340.395 3.070 20 10 EGCDHM COc1c([O-])c(CN2CC[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000774904785 1303875620 /nfs/dbraw/zinc/87/56/20/1303875620.db2.gz URSIUNXBAUDXQB-CQSZACIVSA-N -1 3 332.331 3.395 20 10 EGCDHM COc1c([O-])c(CN2CCCc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC000775055792 1303897610 /nfs/dbraw/zinc/89/76/10/1303897610.db2.gz FUQFVUDLULGISA-UHFFFAOYSA-N -1 3 332.331 3.401 20 10 EGCDHM COc1c([O-])c(CNc2cnn([C@H](C)C3CC3)c2)ccc1[N+](=O)[O-] ZINC000775081822 1303904414 /nfs/dbraw/zinc/90/44/14/1303904414.db2.gz BXDQAOZWVGIANX-SNVBAGLBSA-N -1 3 332.360 3.089 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCN(CCc2cccs2)CC1 ZINC000775652286 1304005083 /nfs/dbraw/zinc/00/50/83/1304005083.db2.gz XAJOSMAIUXVAFT-UHFFFAOYSA-N -1 3 336.888 3.467 20 10 EGCDHM CCCN1Cc2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2C1 ZINC000780928251 1304752454 /nfs/dbraw/zinc/75/24/54/1304752454.db2.gz TXMCXKUZKVUXPI-UHFFFAOYSA-N -1 3 326.396 3.384 20 10 EGCDHM Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3cccc(Cl)c3[O-])n2)c1 ZINC000787330151 1305734578 /nfs/dbraw/zinc/73/45/78/1305734578.db2.gz AGOSQPZRILOPCP-LLVKDONJSA-N -1 3 343.818 3.385 20 10 EGCDHM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cccc(O)c1[O-] ZINC000787726608 1305783955 /nfs/dbraw/zinc/78/39/55/1305783955.db2.gz ISSDUFVVMRLRQQ-UHFFFAOYSA-N -1 3 349.799 3.466 20 10 EGCDHM O=C(NCCOc1cccc(Cl)c1Cl)c1cccc(O)c1[O-] ZINC000790577156 1306355872 /nfs/dbraw/zinc/35/58/72/1306355872.db2.gz OGXUZXZVABPUHH-UHFFFAOYSA-N -1 3 342.178 3.213 20 10 EGCDHM CN(Cc1cccc(Cl)c1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000811515018 1318192349 /nfs/dbraw/zinc/19/23/49/1318192349.db2.gz LCFBISBDOSFUEM-UHFFFAOYSA-N -1 3 326.824 3.097 20 10 EGCDHM COc1cccc(CN(CC(C)C)C(=O)c2cccc(O)c2[O-])c1 ZINC000790750807 1308859520 /nfs/dbraw/zinc/85/95/20/1308859520.db2.gz QNRLIKTYAJEWQG-UHFFFAOYSA-N -1 3 329.396 3.405 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000792167758 1309134663 /nfs/dbraw/zinc/13/46/63/1309134663.db2.gz QLBKESOYQROZGB-BXKDBHETSA-N -1 3 327.705 3.072 20 10 EGCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C2CC2)O1 ZINC000793213746 1309318173 /nfs/dbraw/zinc/31/81/73/1309318173.db2.gz FZJVMUIDBXQKOJ-BONVTDFDSA-N -1 3 326.234 3.154 20 10 EGCDHM CC[C@H](NCc1nncn1-c1ccccc1)c1ccc(F)cc1[O-] ZINC000796697157 1310066620 /nfs/dbraw/zinc/06/66/20/1310066620.db2.gz UMNMPQXGZYVTBB-INIZCTEOSA-N -1 3 326.375 3.353 20 10 EGCDHM Cc1nc(C2CC[NH+](Cc3ccccc3[O-])CC2)sc1C(=O)[O-] ZINC000901799244 1317479401 /nfs/dbraw/zinc/47/94/01/1317479401.db2.gz RIPKWKLDUBQPNA-UHFFFAOYSA-N -1 3 332.425 3.235 20 10 EGCDHM Cc1cc(CN[C@H](C)c2cc(F)cc(F)c2[O-])nc(N2CCCC2)n1 ZINC000813884782 1318651168 /nfs/dbraw/zinc/65/11/68/1318651168.db2.gz HRVXYLLJLRPDCQ-GFCCVEGCSA-N -1 3 348.397 3.220 20 10 EGCDHM COC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])c1cccs1 ZINC000825666799 1320353713 /nfs/dbraw/zinc/35/37/13/1320353713.db2.gz PGRDFZSQEWJOAU-AWEZNQCLSA-N -1 3 325.817 3.419 20 10 EGCDHM C[C@H](N[C@H](CCO)c1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842922080 1321449421 /nfs/dbraw/zinc/44/94/21/1321449421.db2.gz ABYBFXGMROVNAM-MEDUHNTESA-N -1 3 334.347 3.214 20 10 EGCDHM CN(C)c1ccc(CN2CCC(C)(C(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC000843041319 1321460006 /nfs/dbraw/zinc/46/00/06/1321460006.db2.gz QKFMFVXKAGRKDM-UHFFFAOYSA-N -1 3 344.377 3.458 20 10 EGCDHM O=[N+]([O-])c1ccc([O-])c(CNC[C@H](OC2CCCC2)C(F)(F)F)c1 ZINC000850355575 1322232998 /nfs/dbraw/zinc/23/29/98/1322232998.db2.gz JKQYGXJLHISVIM-AWEZNQCLSA-N -1 3 348.321 3.280 20 10 EGCDHM COC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(OC)c1 ZINC000850515452 1322260002 /nfs/dbraw/zinc/26/00/02/1322260002.db2.gz XZCJZPUNIRLDJF-YVEFUNNKSA-N -1 3 346.383 3.347 20 10 EGCDHM [O-]c1cccc(Br)c1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000862380393 1329480197 /nfs/dbraw/zinc/48/01/97/1329480197.db2.gz FBXUJWCVCGKBAC-JKSUJKDBSA-N -1 3 338.245 3.298 20 10 EGCDHM C/C=C/C[C@@H](NCc1c([O-])cccc1Br)C(=O)OCC ZINC000862345888 1329476247 /nfs/dbraw/zinc/47/62/47/1329476247.db2.gz GSOXEDHCAIRCKQ-MASHWEEQSA-N -1 3 342.233 3.142 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000862442452 1329487628 /nfs/dbraw/zinc/48/76/28/1329487628.db2.gz CDLKKNJNZFBTNI-LBPRGKRZSA-N -1 3 333.334 3.396 20 10 EGCDHM C[C@@H](NCc1c(Br)cnn1C)c1cc(F)cc(F)c1[O-] ZINC000866431194 1330111402 /nfs/dbraw/zinc/11/14/02/1330111402.db2.gz KDNLHFYZRUWJSJ-SSDOTTSWSA-N -1 3 346.175 3.017 20 10 EGCDHM Cc1cc([O-])c(CN2CCC(=O)[C@H](C)CC2)cc1Br ZINC001237676109 1376982520 /nfs/dbraw/zinc/98/25/20/1376982520.db2.gz FKTPGQHDLKGMJV-SNVBAGLBSA-N -1 3 326.234 3.264 20 10 EGCDHM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-]c1ccc(O)cc1O ZINC001197494006 1368826137 /nfs/dbraw/zinc/82/61/37/1368826137.db2.gz CFFPCKIFAUAMSC-UHFFFAOYSA-N -1 3 348.207 3.347 20 10 EGCDHM [O-]c1cccnc1CNC(=S)Nc1ccccc1Br ZINC001197804843 1368902150 /nfs/dbraw/zinc/90/21/50/1368902150.db2.gz PJLPHMJWXFYEOD-UHFFFAOYSA-N -1 3 338.230 3.036 20 10 EGCDHM COC(=O)[C@H]1C[C@@H](C)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203580982 1370177914 /nfs/dbraw/zinc/17/79/14/1370177914.db2.gz XTAMIGFXEKDJMJ-KOLCDFICSA-N -1 3 332.227 3.330 20 10 EGCDHM O=C1CCN(Cc2cc(Br)ccc2[O-])[C@@H]2CCCC[C@@H]12 ZINC001203635701 1370196307 /nfs/dbraw/zinc/19/63/07/1370196307.db2.gz DVXVGUNRNHHVQV-ZIAGYGMSSA-N -1 3 338.245 3.488 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001215325548 1373198140 /nfs/dbraw/zinc/19/81/40/1373198140.db2.gz YRCUFXITIFHOKL-UHFFFAOYSA-N -1 3 337.291 3.175 20 10 EGCDHM COc1cccc(CCC[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])c1 ZINC001231455941 1376245815 /nfs/dbraw/zinc/24/58/15/1376245815.db2.gz YKKOYIDJPMFFAB-UHFFFAOYSA-N -1 3 329.396 3.164 20 10 EGCDHM COc1cccc(CCC[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])c1 ZINC001231455941 1376245816 /nfs/dbraw/zinc/24/58/16/1376245816.db2.gz YKKOYIDJPMFFAB-UHFFFAOYSA-N -1 3 329.396 3.164 20 10 EGCDHM COCc1cnc2n1CCN(Cc1cc(Cl)c(C)cc1[O-])[C@H]2C ZINC001231866170 1376329156 /nfs/dbraw/zinc/32/91/56/1376329156.db2.gz CRUJPXCOXXVWGS-LBPRGKRZSA-N -1 3 335.835 3.274 20 10 EGCDHM Cc1cc([O-])c(CN2CC(NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001231868426 1376331027 /nfs/dbraw/zinc/33/10/27/1376331027.db2.gz HAZKTFBBCFABMY-UHFFFAOYSA-N -1 3 326.824 3.063 20 10 EGCDHM COc1cc([O-])c(CN(C)CC(=O)OCc2ccccc2)cc1Cl ZINC001232271668 1376427324 /nfs/dbraw/zinc/42/73/24/1376427324.db2.gz ZPUVNMGKINTTSA-UHFFFAOYSA-N -1 3 349.814 3.229 20 10 EGCDHM COc1cc([O-])c(CN2CCO[C@H](c3ccncc3)C2)cc1Cl ZINC001232269186 1376428249 /nfs/dbraw/zinc/42/82/49/1376428249.db2.gz SNBBIQWCHFXSCL-KRWDZBQOSA-N -1 3 334.803 3.023 20 10 EGCDHM Cc1cccnc1N1CCCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334393 1376619646 /nfs/dbraw/zinc/61/96/46/1376619646.db2.gz DWXWEENITSWTRB-UHFFFAOYSA-N -1 3 333.382 3.086 20 10 EGCDHM COc1cc(CN(C)Cc2c([O-])cccc2F)cc(OC)c1OC ZINC001137838661 1377626826 /nfs/dbraw/zinc/62/68/26/1377626826.db2.gz GKJFNYSKINELKE-UHFFFAOYSA-N -1 3 335.375 3.189 20 10 EGCDHM C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCCN1Cc1c([O-])cccc1F ZINC001137841903 1377628920 /nfs/dbraw/zinc/62/89/20/1377628920.db2.gz ZGAFOZORVBUIOD-DOMZBBRYSA-N -1 3 338.423 3.409 20 10 EGCDHM CC(=O)N1CCCCC12CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139684858 1377933578 /nfs/dbraw/zinc/93/35/78/1377933578.db2.gz QWBOHZHAAOCVCZ-UHFFFAOYSA-N -1 3 338.398 3.037 20 10 EGCDHM CN(Cc1c(F)ccc(F)c1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139682775 1377933591 /nfs/dbraw/zinc/93/35/91/1377933591.db2.gz CAILCUSTXUKHRC-LLVKDONJSA-N -1 3 342.386 3.112 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1Cl ZINC001140338326 1378048520 /nfs/dbraw/zinc/04/85/20/1378048520.db2.gz FYBWZSBYUVVJCP-TXEJJXNPSA-N -1 3 338.835 3.239 20 10 EGCDHM CCn1cc2c(n1)CN(Cc1c([O-])cccc1Cl)C[C@H]2COC ZINC001140338415 1378048707 /nfs/dbraw/zinc/04/87/07/1378048707.db2.gz ISMQUTQLASDKDD-LBPRGKRZSA-N -1 3 335.835 3.008 20 10 EGCDHM CCOC[C@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2c1cnn2CC ZINC001140467715 1378068927 /nfs/dbraw/zinc/06/89/27/1378068927.db2.gz WCJSXMXTKKVKKX-CQSZACIVSA-N -1 3 349.862 3.398 20 10 EGCDHM C[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])[C@H]1CO ZINC001141367460 1378311959 /nfs/dbraw/zinc/31/19/59/1378311959.db2.gz AYGVAJCBHGOXMP-ZANVPECISA-N -1 3 348.668 3.401 20 10 EGCDHM Cc1cccnc1OC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142531283 1378454650 /nfs/dbraw/zinc/45/46/50/1378454650.db2.gz RWHBLBXFHHYUMF-UHFFFAOYSA-N -1 3 334.366 3.417 20 10 EGCDHM CC(C)P(CCNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)C(C)C ZINC001147893116 1379097983 /nfs/dbraw/zinc/09/79/83/1379097983.db2.gz KGOJDNNVJAXQRD-UHFFFAOYSA-N -1 3 347.399 3.194 20 10 EGCDHM COC(=O)c1sc(C(C)(C)C)cc1NC(=O)c1cccc(O)c1[O-] ZINC001148212226 1379134447 /nfs/dbraw/zinc/13/44/47/1379134447.db2.gz RSSXQVQCUOTHBH-UHFFFAOYSA-N -1 3 349.408 3.496 20 10 EGCDHM COc1cccc(C(F)(F)F)c1CNC(=O)c1cccc(O)c1[O-] ZINC001148220022 1379134944 /nfs/dbraw/zinc/13/49/44/1379134944.db2.gz LJUQSZPCNFKGOH-UHFFFAOYSA-N -1 3 341.285 3.055 20 10 EGCDHM Cc1nc2cc(NC(=O)c3cc(O)c([O-])c(O)c3)c(C)cc2s1 ZINC001148586894 1379218516 /nfs/dbraw/zinc/21/85/16/1379218516.db2.gz YOSRFJKWVPFIEE-UHFFFAOYSA-N -1 3 330.365 3.282 20 10 EGCDHM [O-]c1c(CNc2cccc(Cl)[n+]2[O-])cc(Cl)c2cccnc12 ZINC001157724005 1381015699 /nfs/dbraw/zinc/01/56/99/1381015699.db2.gz IYUFXOXZFFWOAW-UHFFFAOYSA-N -1 3 336.178 3.493 20 10 EGCDHM O=C1Cc2c(cncc2NCc2cc(Cl)c3cccnc3c2[O-])N1 ZINC001168523554 1383929579 /nfs/dbraw/zinc/92/95/79/1383929579.db2.gz PJODPLVYPQMUIR-UHFFFAOYSA-N -1 3 340.770 3.096 20 10 EGCDHM O=c1cc2[nH]c(NCc3cc(Cl)c4cccnc4c3[O-])ccc-2[nH]1 ZINC001168524153 1383929856 /nfs/dbraw/zinc/92/98/56/1383929856.db2.gz WWEQVISREIWIKX-UHFFFAOYSA-N -1 3 340.770 3.096 20 10 EGCDHM O=C1Cc2cnc(NCc3cc(Cl)c4cccnc4c3[O-])cc2N1 ZINC001168528275 1383930666 /nfs/dbraw/zinc/93/06/66/1383930666.db2.gz RZBSXXYARMHOSP-UHFFFAOYSA-N -1 3 340.770 3.096 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1C[C@@]1(F)Cl ZINC001181675961 1387036188 /nfs/dbraw/zinc/03/61/88/1387036188.db2.gz XTDNVUAMZYNDPH-OTYXRUKQSA-N -1 3 329.158 3.135 20 10 EGCDHM COc1ccc([C@@H](NCc2ccc(N(C)C)cc2)C(=O)[O-])cc1Cl ZINC000901847368 980571322 /nfs/dbraw/zinc/57/13/22/980571322.db2.gz GRJMLVWIMRQFGW-QGZVFWFLSA-N -1 3 348.830 3.330 20 10 EGCDHM C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593210500 994249941 /nfs/dbraw/zinc/24/99/41/994249941.db2.gz QXVOZGIHLHHIAV-DYVFJYSZSA-N -1 3 329.396 3.255 20 10 EGCDHM C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220062 994306107 /nfs/dbraw/zinc/30/61/07/994306107.db2.gz QAXOGQWGMRDDHT-SOVGHPHASA-N -1 3 340.423 3.186 20 10 EGCDHM CC(C)(NCc1cc(F)ccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000180845172 455254950 /nfs/dbraw/zinc/25/49/50/455254950.db2.gz OLSWHZAPCITIJE-UHFFFAOYSA-N -1 3 326.375 3.137 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](C)SC ZINC000075416851 453891735 /nfs/dbraw/zinc/89/17/35/453891735.db2.gz YJDHEDSTFDXBKV-SECBINFHSA-N -1 3 332.263 3.255 20 10 EGCDHM CC(C)Cc1noc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000069595227 454122693 /nfs/dbraw/zinc/12/26/93/454122693.db2.gz CFVLUBUHWOJVGY-INIZCTEOSA-N -1 3 345.443 3.155 20 10 EGCDHM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000179401169 455044665 /nfs/dbraw/zinc/04/46/65/455044665.db2.gz AGFGEVXPCOPFEJ-UHFFFAOYSA-N -1 3 342.395 3.141 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)c([O-])c1O ZINC000179520271 455055526 /nfs/dbraw/zinc/05/55/26/455055526.db2.gz NAPVCZOPWSHBKN-YOEHRIQHSA-N -1 3 341.407 3.317 20 10 EGCDHM CCOC(=O)c1csc([C@@H]2CCCN2Cc2ccccc2[O-])n1 ZINC000191824064 455522858 /nfs/dbraw/zinc/52/28/58/455522858.db2.gz BCYXFLRBPGKRGE-AWEZNQCLSA-N -1 3 332.425 3.363 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c([O-])c1O ZINC000182569901 455543558 /nfs/dbraw/zinc/54/35/58/455543558.db2.gz SCDLULHDURVOLW-GXTWGEPZSA-N -1 3 347.436 3.196 20 10 EGCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1C(=O)N(C)C(C)C ZINC000192550861 455640494 /nfs/dbraw/zinc/64/04/94/455640494.db2.gz XZKSUPLWDLMJJQ-UHFFFAOYSA-N -1 3 342.395 3.139 20 10 EGCDHM C[C@H](NCC(=O)NCC(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000192755596 455686464 /nfs/dbraw/zinc/68/64/64/455686464.db2.gz MZXVVOMFNGGXAI-LURJTMIESA-N -1 3 345.148 3.028 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CC[C@]3(C2)OCc2ccccc23)c1[O-] ZINC000186696081 455821564 /nfs/dbraw/zinc/82/15/64/455821564.db2.gz ZGQMLBCKTRWWEA-HXUWFJFHSA-N -1 3 341.382 3.365 20 10 EGCDHM COc1c([O-])c(CN[C@@H]2CCOc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000278622097 455843271 /nfs/dbraw/zinc/84/32/71/455843271.db2.gz FUSJAWUDJCUCMJ-CYBMUJFWSA-N -1 3 348.330 3.062 20 10 EGCDHM CCOc1cc(F)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278951730 455854321 /nfs/dbraw/zinc/85/43/21/455854321.db2.gz ZMXBKPMXSGORLU-UHFFFAOYSA-N -1 3 336.319 3.459 20 10 EGCDHM CC[C@H](Nc1ccc(OCC(=O)NC)cc1)c1ccc(F)cc1[O-] ZINC000286109377 455979412 /nfs/dbraw/zinc/97/94/12/455979412.db2.gz MZEBROGSTFXYRP-INIZCTEOSA-N -1 3 332.375 3.219 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000188255416 456030511 /nfs/dbraw/zinc/03/05/11/456030511.db2.gz OJJFZWPHVHZJSF-SFHVURJKSA-N -1 3 334.375 3.145 20 10 EGCDHM CN(Cc1noc(-c2ccc(F)cc2F)n1)Cc1ccccc1[O-] ZINC000189107571 456228819 /nfs/dbraw/zinc/22/88/19/456228819.db2.gz CQLWPCDBNAKPPH-UHFFFAOYSA-N -1 3 331.322 3.352 20 10 EGCDHM COCC[C@@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccco1 ZINC000273411058 456229155 /nfs/dbraw/zinc/22/91/55/456229155.db2.gz HWYSOQUGQJCQNK-IUODEOHRSA-N -1 3 333.384 3.200 20 10 EGCDHM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC000277172187 456708055 /nfs/dbraw/zinc/70/80/55/456708055.db2.gz DUZUMCSUPYLBJE-GOSISDBHSA-N -1 3 328.412 3.154 20 10 EGCDHM CSc1nnc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[n-]1 ZINC000727486692 574670556 /nfs/dbraw/zinc/67/05/56/574670556.db2.gz PBYBYNBPOWGRRB-UHFFFAOYSA-N -1 3 345.403 3.326 20 10 EGCDHM CSc1n[n-]c(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000727486692 574670558 /nfs/dbraw/zinc/67/05/58/574670558.db2.gz PBYBYNBPOWGRRB-UHFFFAOYSA-N -1 3 345.403 3.326 20 10 EGCDHM CSc1nc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n[n-]1 ZINC000727486692 574670560 /nfs/dbraw/zinc/67/05/60/574670560.db2.gz PBYBYNBPOWGRRB-UHFFFAOYSA-N -1 3 345.403 3.326 20 10 EGCDHM Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc([O-])cs1 ZINC000731869535 575213937 /nfs/dbraw/zinc/21/39/37/575213937.db2.gz RTVZETLFKZDPGH-UHFFFAOYSA-N -1 3 341.436 3.310 20 10 EGCDHM COC(=O)CN(Cc1ccc(F)cc1)Cc1cc(Cl)ccc1[O-] ZINC000732202805 575244034 /nfs/dbraw/zinc/24/40/34/575244034.db2.gz FGPZAEYVECFAOA-UHFFFAOYSA-N -1 3 337.778 3.360 20 10 EGCDHM CCC[C@H](NC(=O)CN(C)Cc1ccccc1[O-])c1ccccc1 ZINC000732203305 575244360 /nfs/dbraw/zinc/24/43/60/575244360.db2.gz WMWHWOSENDGUNI-SFHVURJKSA-N -1 3 326.440 3.482 20 10 EGCDHM O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cc([O-])cs1 ZINC000732299821 575253553 /nfs/dbraw/zinc/25/35/53/575253553.db2.gz WFFHYHNJWRWJJF-LLVKDONJSA-N -1 3 332.208 3.224 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCC(OCCc2ccccc2)CC1 ZINC000732279989 575254320 /nfs/dbraw/zinc/25/43/20/575254320.db2.gz RSIYOCOXZAJUPD-UHFFFAOYSA-N -1 3 331.437 3.318 20 10 EGCDHM COc1ccc(C(=O)COC(=O)c2cc([O-])cs2)cc1Cl ZINC000732354061 575261742 /nfs/dbraw/zinc/26/17/42/575261742.db2.gz OEUPKXQBRINYPB-UHFFFAOYSA-N -1 3 326.757 3.155 20 10 EGCDHM CC[C@@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@@H](C)O1 ZINC000736945448 576064172 /nfs/dbraw/zinc/06/41/72/576064172.db2.gz XUIBNMQNMWDWDD-TZMCWYRMSA-N -1 3 329.396 3.243 20 10 EGCDHM CCNC(=O)COc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000114762124 1293176731 /nfs/dbraw/zinc/17/67/31/1293176731.db2.gz XSOZWYNFCDAPFV-UHFFFAOYSA-N -1 3 334.803 3.173 20 10 EGCDHM CCN(Cc1cc(Cl)ccc1[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000159892388 1294249718 /nfs/dbraw/zinc/24/97/18/1294249718.db2.gz IQJWNKAWOJOLRW-UHFFFAOYSA-N -1 3 343.814 3.304 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)c([O-])c1O ZINC000177674060 1294687240 /nfs/dbraw/zinc/68/72/40/1294687240.db2.gz RYIWKJWOCHJOLZ-UHFFFAOYSA-N -1 3 330.359 3.398 20 10 EGCDHM O=C(NCc1ccccc1N1CCCCC1)c1cccc(O)c1[O-] ZINC000187220813 1295375356 /nfs/dbraw/zinc/37/53/56/1295375356.db2.gz KNNOYPMPAUMPSO-UHFFFAOYSA-N -1 3 326.396 3.018 20 10 EGCDHM O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000193169126 1295839359 /nfs/dbraw/zinc/83/93/59/1295839359.db2.gz TUYNJOVAFUTRMD-GFCCVEGCSA-N -1 3 325.286 3.174 20 10 EGCDHM COC(=O)CN(Cc1c([O-])ccc2ccccc21)CC(F)(F)F ZINC000193402968 1295862038 /nfs/dbraw/zinc/86/20/38/1295862038.db2.gz RBLGXLZTMXTFJJ-UHFFFAOYSA-N -1 3 327.302 3.083 20 10 EGCDHM COc1ccc2nc(NC(=O)c3ccc(C)c(O)c3[O-])sc2c1 ZINC000751532391 1299564372 /nfs/dbraw/zinc/56/43/72/1299564372.db2.gz ARTISBAJSIOTDQ-UHFFFAOYSA-N -1 3 330.365 3.277 20 10 EGCDHM Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1[O-] ZINC000761225936 1301424076 /nfs/dbraw/zinc/42/40/76/1301424076.db2.gz NHOLZQNVNYKQOG-QGZVFWFLSA-N -1 3 330.815 3.027 20 10 EGCDHM CC1(C)CN=C(N2CCN(Cc3c([O-])cccc3Cl)CC2)S1 ZINC000768887374 1303007526 /nfs/dbraw/zinc/00/75/26/1303007526.db2.gz WTQGKDUNNMLDSW-UHFFFAOYSA-N -1 3 339.892 3.045 20 10 EGCDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1c([O-])cccc1O ZINC000770402190 1303262839 /nfs/dbraw/zinc/26/28/39/1303262839.db2.gz UPRBPVWBKGYYJY-UHFFFAOYSA-N -1 3 326.396 3.018 20 10 EGCDHM COc1c([O-])c(CN2CCc3ccccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000774881020 1303871438 /nfs/dbraw/zinc/87/14/38/1303871438.db2.gz VNNOUFVZCJDEPV-GFCCVEGCSA-N -1 3 328.368 3.428 20 10 EGCDHM COC(=O)Nc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000774928565 1303879430 /nfs/dbraw/zinc/87/94/30/1303879430.db2.gz VVROMCVNAHJDJQ-UHFFFAOYSA-N -1 3 347.327 3.099 20 10 EGCDHM COc1c([O-])c(CNc2ccc(C)c(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000774935380 1303880571 /nfs/dbraw/zinc/88/05/71/1303880571.db2.gz NFEJRDZHEICIEW-UHFFFAOYSA-N -1 3 345.355 3.188 20 10 EGCDHM COc1c([O-])c(CN2CC(C)(C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000775069204 1303900528 /nfs/dbraw/zinc/90/05/28/1303900528.db2.gz OQWAYSFYRGVTJL-UHFFFAOYSA-N -1 3 344.367 3.487 20 10 EGCDHM CCCC(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775666973 1304010917 /nfs/dbraw/zinc/01/09/17/1304010917.db2.gz BLEKPUGXQVKAIF-GFCCVEGCSA-N -1 3 342.842 3.313 20 10 EGCDHM CC(C)(C)OC(=O)[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775724869 1304021356 /nfs/dbraw/zinc/02/13/56/1304021356.db2.gz OGXCUQABCFRQOA-JTQLQIEISA-N -1 3 329.799 3.348 20 10 EGCDHM O=C(NCCCO[C@@H]1CCCc2ccccc21)c1cccc(O)c1[O-] ZINC000776348740 1304137463 /nfs/dbraw/zinc/13/74/63/1304137463.db2.gz DRBIBMHUCLZDDM-GOSISDBHSA-N -1 3 341.407 3.312 20 10 EGCDHM COCC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000779995755 1304629375 /nfs/dbraw/zinc/62/93/75/1304629375.db2.gz XAJQIFXJAZLKMR-GFCCVEGCSA-N -1 3 340.763 3.414 20 10 EGCDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])nn1-c1cccc(F)c1 ZINC000781017848 1304760414 /nfs/dbraw/zinc/76/04/14/1304760414.db2.gz KEFYHFGUEJZLPT-UHFFFAOYSA-N -1 3 341.342 3.292 20 10 EGCDHM COCCSc1ccc([C@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790652264 1306369354 /nfs/dbraw/zinc/36/93/54/1306369354.db2.gz ZXLVBQUZQINAQF-LBPRGKRZSA-N -1 3 347.436 3.327 20 10 EGCDHM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000790921793 1308887164 /nfs/dbraw/zinc/88/71/64/1308887164.db2.gz INUAYEWJZWAGSH-CQSZACIVSA-N -1 3 339.313 3.391 20 10 EGCDHM C[C@@]1(O)CCCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894603225 1308974163 /nfs/dbraw/zinc/97/41/63/1308974163.db2.gz NYTGFNYHCLAEKJ-CQSZACIVSA-N -1 3 332.213 3.031 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2F)c([O-])c1O ZINC000801546837 1310963129 /nfs/dbraw/zinc/96/31/29/1310963129.db2.gz RAFHSXKOTAAAJW-UHFFFAOYSA-N -1 3 327.258 3.399 20 10 EGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000822808826 1320125327 /nfs/dbraw/zinc/12/53/27/1320125327.db2.gz JQGRPJOQIKKJRG-UHFFFAOYSA-N -1 3 330.403 3.189 20 10 EGCDHM C[C@@H](NCc1nnc2n1CCCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000815616606 1319029155 /nfs/dbraw/zinc/02/91/55/1319029155.db2.gz SQQUHJMTCRSYIX-SNVBAGLBSA-N -1 3 340.349 3.190 20 10 EGCDHM CC(C)N(C)C(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816493065 1319165947 /nfs/dbraw/zinc/16/59/47/1319165947.db2.gz NYPHLTZNFULUNP-UHFFFAOYSA-N -1 3 342.842 3.264 20 10 EGCDHM COc1ccc(N2CCC(NC(=O)c3c(C)cccc3[O-])CC2)cc1 ZINC000859098107 1328922339 /nfs/dbraw/zinc/92/23/39/1328922339.db2.gz ZREZAMVNMNFVQD-UHFFFAOYSA-N -1 3 340.423 3.108 20 10 EGCDHM C[C@H](N[C@@H](CCO)c1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842922081 1321449387 /nfs/dbraw/zinc/44/93/87/1321449387.db2.gz ABYBFXGMROVNAM-ZBEGNZNMSA-N -1 3 334.347 3.214 20 10 EGCDHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000855009374 1325333968 /nfs/dbraw/zinc/33/39/68/1325333968.db2.gz RQSJDGKQRGNTKM-LBPRGKRZSA-N -1 3 342.395 3.187 20 10 EGCDHM COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC12CC2 ZINC001203586067 1370178995 /nfs/dbraw/zinc/17/89/95/1370178995.db2.gz JYLHONBVACWXAU-NSHDSACASA-N -1 3 330.211 3.084 20 10 EGCDHM CN(C(=O)OC(C)(C)C)C1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203648583 1370200167 /nfs/dbraw/zinc/20/01/67/1370200167.db2.gz MOXCXRBKQGEHPK-UHFFFAOYSA-N -1 3 326.824 3.097 20 10 EGCDHM CCn1cc2c(n1)CN(Cc1cc(Cl)ccc1[O-])C[C@H]2COC ZINC001203656475 1370203389 /nfs/dbraw/zinc/20/33/89/1370203389.db2.gz PMJXVTCOSJQKSD-ZDUSSCGKSA-N -1 3 335.835 3.008 20 10 EGCDHM [O-]c1cccc(Br)c1CNCC(F)(F)Br ZINC001118859447 1371241748 /nfs/dbraw/zinc/24/17/48/1371241748.db2.gz AWPJMGIWNHUWKH-UHFFFAOYSA-N -1 3 344.981 3.232 20 10 EGCDHM [O-]c1ccc(-c2nc(-c3cccn4ccnc34)no2)c(Cl)c1O ZINC001216953200 1373369864 /nfs/dbraw/zinc/36/98/64/1373369864.db2.gz DPEUGMOXZXVYIS-UHFFFAOYSA-N -1 3 328.715 3.116 20 10 EGCDHM O=C1c2cccc(OC3CCSCC3)c2C(=O)c2cccc([O-])c21 ZINC001229187312 1375783902 /nfs/dbraw/zinc/78/39/02/1375783902.db2.gz YFVAJBWTUGMGTQ-UHFFFAOYSA-N -1 3 340.400 3.442 20 10 EGCDHM Cc1cc(O[C@@H]2CCCOC2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229541014 1375852989 /nfs/dbraw/zinc/85/29/89/1375852989.db2.gz GECXJGANNJKSHB-GFCCVEGCSA-N -1 3 338.359 3.034 20 10 EGCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCCC[C@@H]2C)c1 ZINC001233305518 1376607292 /nfs/dbraw/zinc/60/72/92/1376607292.db2.gz JRWSPCCBYHZLNM-JTQLQIEISA-N -1 3 342.233 3.316 20 10 EGCDHM Cc1cccc(O[C@@H]2CCCN(Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233336504 1376621567 /nfs/dbraw/zinc/62/15/67/1376621567.db2.gz OBPBOPQEXDZXRP-CYBMUJFWSA-N -1 3 334.366 3.417 20 10 EGCDHM [O-]c1c(F)cccc1CN1CCN(c2nsc3ccccc32)CC1 ZINC001138123804 1377680743 /nfs/dbraw/zinc/68/07/43/1377680743.db2.gz MGDGKZHVWMSZKJ-UHFFFAOYSA-N -1 3 343.427 3.463 20 10 EGCDHM CN1CCN(Cc2c([O-])cccc2Br)Cc2cccnc21 ZINC001140101320 1378007571 /nfs/dbraw/zinc/00/75/71/1378007571.db2.gz OGNJCPHEVPBPLF-UHFFFAOYSA-N -1 3 348.244 3.002 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCC[C@@H]1c1cnccn1 ZINC001140100788 1378007824 /nfs/dbraw/zinc/00/78/24/1378007824.db2.gz BRIXOPRWBIHJQE-CQSZACIVSA-N -1 3 334.217 3.282 20 10 EGCDHM [O-]c1cccc(CN2CCc3cccc(O)c3C2)c1Br ZINC001140553105 1378084557 /nfs/dbraw/zinc/08/45/57/1378084557.db2.gz UXLRCCNJNRQRAZ-UHFFFAOYSA-N -1 3 334.213 3.419 20 10 EGCDHM C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141368889 1378312065 /nfs/dbraw/zinc/31/20/65/1378312065.db2.gz FTMHGDMOMQJYDL-VHSXEESVSA-N -1 3 347.684 3.333 20 10 EGCDHM [O-]c1cc(F)c(F)cc1CN1CCN(CCc2cccs2)CC1 ZINC001142521131 1378452359 /nfs/dbraw/zinc/45/23/59/1378452359.db2.gz YVOSEBBKMKMMII-UHFFFAOYSA-N -1 3 338.423 3.092 20 10 EGCDHM [O-]c1cc(F)c(F)cc1CN1CC2(CCN2Cc2ccccc2)C1 ZINC001142525052 1378453047 /nfs/dbraw/zinc/45/30/47/1378453047.db2.gz VEKNYSSHGRADRS-UHFFFAOYSA-N -1 3 330.378 3.131 20 10 EGCDHM Cc1cccc(O[C@@H]2CCCN(Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001142531507 1378454159 /nfs/dbraw/zinc/45/41/59/1378454159.db2.gz ZTVZKOWAYBKPIA-CQSZACIVSA-N -1 3 334.366 3.417 20 10 EGCDHM CCOC(=O)C1(CC)CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142530319 1378454576 /nfs/dbraw/zinc/45/45/76/1378454576.db2.gz CZMKARORMZAEEO-UHFFFAOYSA-N -1 3 327.371 3.226 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@]12CCOC2 ZINC001144306643 1378714092 /nfs/dbraw/zinc/71/40/92/1378714092.db2.gz KPUOHXDELWKJEH-AWEZNQCLSA-N -1 3 330.197 3.049 20 10 EGCDHM Cc1cccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001147221866 1378990239 /nfs/dbraw/zinc/99/02/39/1378990239.db2.gz STTOOFLSWBXZJE-UHFFFAOYSA-N -1 3 327.771 3.227 20 10 EGCDHM CC1=C(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])SC(C)N1 ZINC001147745376 1379071196 /nfs/dbraw/zinc/07/11/96/1379071196.db2.gz JJPYMSZJLVJFQX-UHFFFAOYSA-N -1 3 348.835 3.287 20 10 EGCDHM Cc1cc(C)c(NC(=O)c2cccc(O)c2[O-])c(Br)n1 ZINC001148212703 1379134530 /nfs/dbraw/zinc/13/45/30/1379134530.db2.gz GPPFUADBGIMVAB-UHFFFAOYSA-N -1 3 337.173 3.124 20 10 EGCDHM C[C@]12CC3CC(NC(=O)c4cc(O)c([O-])c(O)c4)(C1)C[C@@](C)(C3)C2 ZINC001148589663 1379218332 /nfs/dbraw/zinc/21/83/32/1379218332.db2.gz GHISTFDLYTVMAJ-PDPGNDQDSA-N -1 3 331.412 3.282 20 10 EGCDHM Cc1nc2cc(Cl)c(NC(=O)c3cc(O)c([O-])c(O)c3)cc2o1 ZINC001148588626 1379218698 /nfs/dbraw/zinc/21/86/98/1379218698.db2.gz XIJJWEMRWKALSP-UHFFFAOYSA-N -1 3 334.715 3.159 20 10 EGCDHM COc1ncnc(C)c1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168523861 1383929702 /nfs/dbraw/zinc/92/97/02/1383929702.db2.gz UJVYUXFJHAWJFQ-UHFFFAOYSA-N -1 3 330.775 3.313 20 10 EGCDHM [O-]c1c(CNc2cnc3[nH]ccc3n2)cc(Cl)c2cccnc12 ZINC001168523552 1383929984 /nfs/dbraw/zinc/92/99/84/1383929984.db2.gz PJNQPXCESUXFQJ-UHFFFAOYSA-N -1 3 325.759 3.477 20 10 EGCDHM Cc1cc(Br)cc(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000818630483 955421410 /nfs/dbraw/zinc/42/14/10/955421410.db2.gz LLQWIGLXGGNSFO-LBPRGKRZSA-N -1 3 344.249 3.300 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000859816226 979645902 /nfs/dbraw/zinc/64/59/02/979645902.db2.gz YPOYLYLONKHOFF-GXFFZTMASA-N -1 3 342.233 3.006 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000859816226 979645908 /nfs/dbraw/zinc/64/59/08/979645908.db2.gz YPOYLYLONKHOFF-GXFFZTMASA-N -1 3 342.233 3.006 20 10 EGCDHM C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354674 994995841 /nfs/dbraw/zinc/99/58/41/994995841.db2.gz WJUAXTBJPNTBGZ-WPKBUWHJSA-N -1 3 342.395 3.056 20 10 EGCDHM COc1ccc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1F ZINC001599556295 998097424 /nfs/dbraw/zinc/09/74/24/998097424.db2.gz AERHNCHSGDRPLO-LLVKDONJSA-N -1 3 333.359 3.131 20 10 EGCDHM CN(C)c1ncccc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000075126679 453863883 /nfs/dbraw/zinc/86/38/83/453863883.db2.gz XOOILBHMRSQVQH-UHFFFAOYSA-N -1 3 326.227 3.450 20 10 EGCDHM C[C@@H](c1ccccc1)N(CCCS(C)(=O)=O)Cc1ccccc1[O-] ZINC000119282283 454183128 /nfs/dbraw/zinc/18/31/28/454183128.db2.gz QPLIVICXKYFJPB-INIZCTEOSA-N -1 3 347.480 3.390 20 10 EGCDHM [O-]c1ccccc1CN(Cc1cn2ccccc2n1)C[C@H]1CCCO1 ZINC000070976676 454191310 /nfs/dbraw/zinc/19/13/10/454191310.db2.gz XEIXIGIBHBEETD-GOSISDBHSA-N -1 3 337.423 3.221 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000091080404 454378670 /nfs/dbraw/zinc/37/86/70/454378670.db2.gz PAQDKSFJNHUKPI-MRXNPFEDSA-N -1 3 331.391 3.411 20 10 EGCDHM C[C@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000134270014 454522128 /nfs/dbraw/zinc/52/21/28/454522128.db2.gz BGRPCMVBQPMBEQ-LRDDRELGSA-N -1 3 336.863 3.172 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC(C)C ZINC000080660158 454613976 /nfs/dbraw/zinc/61/39/76/454613976.db2.gz YWPGMGGURUZMCO-UHFFFAOYSA-N -1 3 329.238 3.342 20 10 EGCDHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c([O-])c1O ZINC000177674240 454890707 /nfs/dbraw/zinc/89/07/07/454890707.db2.gz AGAFJFAUFDSPLB-OAHLLOKOSA-N -1 3 347.798 3.273 20 10 EGCDHM CN(Cc1cc(Br)cn1C)Cc1cc(F)ccc1[O-] ZINC000180272179 455153594 /nfs/dbraw/zinc/15/35/94/455153594.db2.gz QRLBPVHQBLSITA-UHFFFAOYSA-N -1 3 327.197 3.264 20 10 EGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000189429466 455194823 /nfs/dbraw/zinc/19/48/23/455194823.db2.gz VVFIOBNJSNWSSP-LLVKDONJSA-N -1 3 333.409 3.079 20 10 EGCDHM CC(C)Cn1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000182960205 455199631 /nfs/dbraw/zinc/19/96/31/455199631.db2.gz OHIBJWACHRMANV-IBGZPJMESA-N -1 3 343.471 3.426 20 10 EGCDHM Cc1ccc(CN2CC[C@H](NCc3cccc(Cl)c3[O-])C2=O)cc1 ZINC000191808999 455522269 /nfs/dbraw/zinc/52/22/69/455522269.db2.gz SGMAMPRQHOHLHR-KRWDZBQOSA-N -1 3 344.842 3.245 20 10 EGCDHM O=C(C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-])c1cccs1 ZINC000185809271 455626623 /nfs/dbraw/zinc/62/66/23/455626623.db2.gz SFLOMMMOXWCRSB-NSHDSACASA-N -1 3 331.393 3.037 20 10 EGCDHM Cc1cc(CN[C@H](C)c2ccc(F)c(F)c2[O-])nc(N2CCCC2)n1 ZINC000293761886 455797327 /nfs/dbraw/zinc/79/73/27/455797327.db2.gz SEPMFARYUXRRMX-GFCCVEGCSA-N -1 3 348.397 3.220 20 10 EGCDHM CC(=O)N(c1ccc(NC(=O)c2cccc(O)c2[O-])cc1)[C@H]1C[C@H]1C ZINC000294079318 455805010 /nfs/dbraw/zinc/80/50/10/455805010.db2.gz HSQDWUXFNCLPKB-BZNIZROVSA-N -1 3 340.379 3.111 20 10 EGCDHM CC[C@@](C)(NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1nccs1 ZINC000278504269 455837915 /nfs/dbraw/zinc/83/79/15/455837915.db2.gz OPZQCSHNKKQOSS-OAHLLOKOSA-N -1 3 337.401 3.181 20 10 EGCDHM COc1c([O-])c(CN2CCc3cc(F)ccc3C2)ccc1[N+](=O)[O-] ZINC000278514924 455838783 /nfs/dbraw/zinc/83/87/83/455838783.db2.gz QORSZXXXTDVPHT-UHFFFAOYSA-N -1 3 332.331 3.006 20 10 EGCDHM CC[C@@H](NCC(=O)NCC(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000286881982 456055776 /nfs/dbraw/zinc/05/57/76/456055776.db2.gz CKWJVRZUOMBLDR-SNVBAGLBSA-N -1 3 341.185 3.121 20 10 EGCDHM C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271173931 456154192 /nfs/dbraw/zinc/15/41/92/456154192.db2.gz FLCVMAYYDRJQDG-USGALAMMSA-N -1 3 329.465 3.401 20 10 EGCDHM COC(=O)[C@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000271207182 456173245 /nfs/dbraw/zinc/17/32/45/456173245.db2.gz WOGXWZVQVFSKSY-GFCCVEGCSA-N -1 3 344.238 3.474 20 10 EGCDHM COCC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccco1 ZINC000273411052 456229073 /nfs/dbraw/zinc/22/90/73/456229073.db2.gz HWYSOQUGQJCQNK-DOMZBBRYSA-N -1 3 333.384 3.200 20 10 EGCDHM CC[C@H](N[C@@H](C)c1ncn(C)n1)c1cc(Br)ccc1[O-] ZINC000275764646 456306868 /nfs/dbraw/zinc/30/68/68/456306868.db2.gz UAVDMVKAQQKWJJ-CABZTGNLSA-N -1 3 339.237 3.085 20 10 EGCDHM Cc1cc(Br)cc([C@@H](C)N[C@@H](C)c2ncnn2C)c1[O-] ZINC000276628518 456535514 /nfs/dbraw/zinc/53/55/14/456535514.db2.gz NIKIRZMJPOUJSU-ZJUUUORDSA-N -1 3 339.237 3.003 20 10 EGCDHM COc1ccc(CN[C@H](C)c2ccc(F)c(F)c2[O-])cc1[N+](=O)[O-] ZINC000276881266 456609723 /nfs/dbraw/zinc/60/97/23/456609723.db2.gz GBCUYMGVJMFXCA-SECBINFHSA-N -1 3 338.310 3.438 20 10 EGCDHM C[C@@H](c1ccccc1)N(CCS(C)(=O)=O)Cc1ccccc1[O-] ZINC000299552318 456726331 /nfs/dbraw/zinc/72/63/31/456726331.db2.gz GCNVJQIATNNWBA-HNNXBMFYSA-N -1 3 333.453 3.000 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(c3cn[nH]c3)CC2)c1[O-] ZINC000372700432 458322777 /nfs/dbraw/zinc/32/27/77/458322777.db2.gz IZSVWSORZOUFCE-UHFFFAOYSA-N -1 3 333.819 3.351 20 10 EGCDHM O=C(CSc1nnc(CCC2CCCC2)[nH]1)c1ccc([O-])c(O)c1 ZINC000031797101 527055348 /nfs/dbraw/zinc/05/53/48/527055348.db2.gz CQOXHSIFSHPQSA-UHFFFAOYSA-N -1 3 347.440 3.314 20 10 EGCDHM O=C(CSc1n[nH]c(CCC2CCCC2)n1)c1ccc([O-])c(O)c1 ZINC000031797101 527055354 /nfs/dbraw/zinc/05/53/54/527055354.db2.gz CQOXHSIFSHPQSA-UHFFFAOYSA-N -1 3 347.440 3.314 20 10 EGCDHM COc1cccc([C@H](CNC(=O)c2cc([O-])cs2)N2CCCC2)c1 ZINC000731861454 575212937 /nfs/dbraw/zinc/21/29/37/575212937.db2.gz BSFGXCLNPCHNBG-INIZCTEOSA-N -1 3 346.452 3.029 20 10 EGCDHM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc([O-])cs1 ZINC000731863994 575213457 /nfs/dbraw/zinc/21/34/57/575213457.db2.gz IHDQTIPOUROECY-UHFFFAOYSA-N -1 3 327.409 3.186 20 10 EGCDHM O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cc([O-])cs1 ZINC000732267343 575250924 /nfs/dbraw/zinc/25/09/24/575250924.db2.gz YHJIXMZZVWMZSI-UHFFFAOYSA-N -1 3 336.800 3.486 20 10 EGCDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000732272566 575251946 /nfs/dbraw/zinc/25/19/46/575251946.db2.gz WLJWFZQRLGBYKJ-SNVBAGLBSA-N -1 3 345.424 3.229 20 10 EGCDHM C[C@H]1CCN(C(=O)c2cc([O-])cs2)CCN1Cc1ccccc1 ZINC000743810121 576816150 /nfs/dbraw/zinc/81/61/50/576816150.db2.gz ADYGUHVOWSRKAN-AWEZNQCLSA-N -1 3 330.453 3.190 20 10 EGCDHM COC(=O)C[C@H](NC(=O)c1cc([O-])cs1)c1cccc(Cl)c1 ZINC000743821923 576816320 /nfs/dbraw/zinc/81/63/20/576816320.db2.gz YNJMRPLECRNICL-LBPRGKRZSA-N -1 3 339.800 3.141 20 10 EGCDHM Cc1ccc(N2CCC[C@H](OC(=O)c3cc([O-])cs3)C2=O)cc1 ZINC000745001861 576838236 /nfs/dbraw/zinc/83/82/36/576838236.db2.gz COJMSHRODXUFAR-AWEZNQCLSA-N -1 3 331.393 3.115 20 10 EGCDHM O=C([O-])c1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000833328563 601603386 /nfs/dbraw/zinc/60/33/86/601603386.db2.gz OUNVMXGCKUJQJS-GOSISDBHSA-N -1 3 341.407 3.272 20 10 EGCDHM O=C([O-])c1cccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000833328563 601603387 /nfs/dbraw/zinc/60/33/87/601603387.db2.gz OUNVMXGCKUJQJS-GOSISDBHSA-N -1 3 341.407 3.272 20 10 EGCDHM CCc1ccc([C@@H]2COCCN2Cc2cc(F)cc(C(C)=O)c2[O-])o1 ZINC000079437928 1292559525 /nfs/dbraw/zinc/55/95/25/1292559525.db2.gz SQZMFMGDFCUMQO-KRWDZBQOSA-N -1 3 347.386 3.463 20 10 EGCDHM C[C@@H](c1cccnc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093413319 1292920600 /nfs/dbraw/zinc/92/06/00/1292920600.db2.gz LJGBPLNAVWUIQU-AWEZNQCLSA-N -1 3 331.847 3.319 20 10 EGCDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2[nH]1 ZINC000188185515 1295444323 /nfs/dbraw/zinc/44/43/23/1295444323.db2.gz WOADZRUJJCFRAC-OAHLLOKOSA-N -1 3 325.368 3.101 20 10 EGCDHM CCOC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715737091 1298286951 /nfs/dbraw/zinc/28/69/51/1298286951.db2.gz HOAQXFPPCZUQBL-UHFFFAOYSA-N -1 3 332.213 3.295 20 10 EGCDHM C[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756852079 1300577156 /nfs/dbraw/zinc/57/71/56/1300577156.db2.gz ZJBDCJBPURKLCK-NSHDSACASA-N -1 3 342.351 3.369 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2COc3cc(F)cc(F)c32)c1 ZINC000757656572 1300704509 /nfs/dbraw/zinc/70/45/09/1300704509.db2.gz KADXNIBNSCUJEB-XPTSAGLGSA-N -1 3 349.333 3.241 20 10 EGCDHM COc1cc2c(cc1CNCc1cc(F)cc(F)c1[O-])O[C@H](C)C2 ZINC000882886894 1302149311 /nfs/dbraw/zinc/14/93/11/1302149311.db2.gz QTOHFVJVSYBMCS-SNVBAGLBSA-N -1 3 335.350 3.292 20 10 EGCDHM [O-]c1c(F)cc(F)cc1CNCc1ccncc1OCC(F)(F)F ZINC000883110716 1302254852 /nfs/dbraw/zinc/25/48/52/1302254852.db2.gz JASGLFOMTCBRNN-UHFFFAOYSA-N -1 3 348.271 3.296 20 10 EGCDHM CC[C@@H](Nc1cccc2c1N(C)C(=O)CO2)c1ccc(F)cc1[O-] ZINC000883398469 1302431647 /nfs/dbraw/zinc/43/16/47/1302431647.db2.gz NMSIIPLWLKBKAX-CYBMUJFWSA-N -1 3 330.359 3.450 20 10 EGCDHM O=C1[N-]C(=O)/C(=C\c2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000767906223 1302782986 /nfs/dbraw/zinc/78/29/86/1302782986.db2.gz LITQXKCVSJVABP-RGEXLXHISA-N -1 3 332.403 3.488 20 10 EGCDHM CC(C)C[C@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000769400027 1303107304 /nfs/dbraw/zinc/10/73/04/1303107304.db2.gz ZZYAVKXXTWTROZ-AWEZNQCLSA-N -1 3 328.250 3.402 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000769544039 1303138807 /nfs/dbraw/zinc/13/88/07/1303138807.db2.gz RKHRKSXNJBRRBQ-UHFFFAOYSA-N -1 3 340.814 3.320 20 10 EGCDHM CNC(=O)CCOc1ccc(N[C@H](C)c2c([O-])cccc2F)cc1 ZINC000886584247 1303513152 /nfs/dbraw/zinc/51/31/52/1303513152.db2.gz LIZYUENLQHOFJF-GFCCVEGCSA-N -1 3 332.375 3.219 20 10 EGCDHM COc1c([O-])c(CNc2ccn(CCC(C)C)n2)ccc1[N+](=O)[O-] ZINC000775037475 1303892651 /nfs/dbraw/zinc/89/26/51/1303892651.db2.gz MTZHBZWBJRBQCI-UHFFFAOYSA-N -1 3 334.376 3.164 20 10 EGCDHM Cc1ccc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)c([O-])c1O ZINC000780984043 1304758217 /nfs/dbraw/zinc/75/82/17/1304758217.db2.gz OGKUHDFDLNTMKC-UHFFFAOYSA-N -1 3 342.376 3.488 20 10 EGCDHM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cccc(O)c1[O-] ZINC000788673532 1305993956 /nfs/dbraw/zinc/99/39/56/1305993956.db2.gz UCPABKNOCKKCST-JTQLQIEISA-N -1 3 339.313 3.478 20 10 EGCDHM CN(Cc1cccn1C)Cc1cc(Br)cc(F)c1[O-] ZINC000894042744 1306188657 /nfs/dbraw/zinc/18/86/57/1306188657.db2.gz NFVDUYSRMODBKJ-UHFFFAOYSA-N -1 3 327.197 3.264 20 10 EGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])cnc1N1CCCC[C@H]1C ZINC000790920793 1308887090 /nfs/dbraw/zinc/88/70/90/1308887090.db2.gz DLYAZAFHDCEETH-CYBMUJFWSA-N -1 3 341.411 3.432 20 10 EGCDHM CO[C@H]1CCOc2c(NC(=O)c3ccc(C)c(O)c3[O-])cccc21 ZINC000791186065 1308934422 /nfs/dbraw/zinc/93/44/22/1308934422.db2.gz JKGQLADNJFPDRT-AWEZNQCLSA-N -1 3 329.352 3.129 20 10 EGCDHM CCC[C@]1(CO)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894785711 1309071826 /nfs/dbraw/zinc/07/18/26/1309071826.db2.gz AEXLKOYIQUHDMO-HNNXBMFYSA-N -1 3 346.240 3.278 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000792167759 1309134343 /nfs/dbraw/zinc/13/43/43/1309134343.db2.gz QLBKESOYQROZGB-CABZTGNLSA-N -1 3 327.705 3.072 20 10 EGCDHM O=C1C[C@H](NCc2c([O-])ccc(Cl)c2F)CN1C1CCCCC1 ZINC000792175266 1309137477 /nfs/dbraw/zinc/13/74/77/1309137477.db2.gz QFPFHJXMUXTKBQ-NSHDSACASA-N -1 3 340.826 3.208 20 10 EGCDHM CC(C)OC(=O)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000895829361 1309542864 /nfs/dbraw/zinc/54/28/64/1309542864.db2.gz RWBGNORFROYUBP-UHFFFAOYSA-N -1 3 329.799 3.348 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCO[C@H](c2ccco2)C1 ZINC000824907398 1320295147 /nfs/dbraw/zinc/29/51/47/1320295147.db2.gz YHNJHSOFUHDACZ-HNNXBMFYSA-N -1 3 338.201 3.321 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c1[O-] ZINC000839632328 1320947936 /nfs/dbraw/zinc/94/79/36/1320947936.db2.gz GJDFNVKWECUWJE-SJLPKXTDSA-N -1 3 329.371 3.042 20 10 EGCDHM C[C@H]1CC[C@H](C)N1CC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683221 1318619906 /nfs/dbraw/zinc/61/99/06/1318619906.db2.gz XRSVQZMTOKGFLV-UWVGGRQHSA-N -1 3 331.243 3.188 20 10 EGCDHM NC(=O)c1ccc(CN(Cc2cc(Cl)ccc2[O-])C2CC2)c(F)c1 ZINC000814171845 1318688246 /nfs/dbraw/zinc/68/82/46/1318688246.db2.gz WDLAIDSFEMQRQA-UHFFFAOYSA-N -1 3 348.805 3.448 20 10 EGCDHM C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815557318 1319014894 /nfs/dbraw/zinc/01/48/94/1319014894.db2.gz QQUPZQVIYNXAEL-YGRLFVJLSA-N -1 3 338.329 3.288 20 10 EGCDHM COc1ccc2c(c1)nc(CNCc1cc(Cl)c(F)cc1[O-])n2C ZINC000816571015 1319185266 /nfs/dbraw/zinc/18/52/66/1319185266.db2.gz OZBZUVUYOTZTMH-UHFFFAOYSA-N -1 3 349.793 3.370 20 10 EGCDHM C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(Cl)cc1[O-] ZINC000841747355 1321305645 /nfs/dbraw/zinc/30/56/45/1321305645.db2.gz AOLSGPLSCVEARY-LBPRGKRZSA-N -1 3 345.830 3.155 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](CCO)c2ccccc2F)c1 ZINC000842922306 1321449099 /nfs/dbraw/zinc/44/90/99/1321449099.db2.gz BEZAYCXIYCNMRL-PXAZEXFGSA-N -1 3 347.386 3.092 20 10 EGCDHM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC001191822032 1367601393 /nfs/dbraw/zinc/60/13/93/1367601393.db2.gz ZVTRHHMWCJOAEB-UHFFFAOYSA-N -1 3 325.361 3.039 20 10 EGCDHM Cc1c[nH]c(C)c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001193359624 1368009732 /nfs/dbraw/zinc/00/97/32/1368009732.db2.gz BOLBGASGWDXDPM-UHFFFAOYSA-N -1 3 329.787 3.469 20 10 EGCDHM Cc1cc(F)ncc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001193632719 1368079957 /nfs/dbraw/zinc/07/99/57/1368079957.db2.gz AIRBPFLPOBREAM-UHFFFAOYSA-N -1 3 345.761 3.366 20 10 EGCDHM C[C@@H](Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)c1ncccn1 ZINC001226380485 1375248563 /nfs/dbraw/zinc/24/85/63/1375248563.db2.gz WJVCVQOKJWDMQK-LLVKDONJSA-N -1 3 346.342 3.098 20 10 EGCDHM CC(C)(C)OC(=O)C[C@H]1CCCN1Cc1ccc(F)c(F)c1[O-] ZINC001233078615 1376565416 /nfs/dbraw/zinc/56/54/16/1376565416.db2.gz AUQZAGFQDNKBRL-GFCCVEGCSA-N -1 3 327.371 3.367 20 10 EGCDHM CCOc1ccc(N2CCN(Cc3c(F)ccc([O-])c3F)CC2)cc1 ZINC001233397321 1376637741 /nfs/dbraw/zinc/63/77/41/1376637741.db2.gz UVMKZDKKGQKBSS-UHFFFAOYSA-N -1 3 348.393 3.391 20 10 EGCDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@]2(C1)CCCOC2 ZINC001235304834 1376866772 /nfs/dbraw/zinc/86/67/72/1376866772.db2.gz DBUBYISFJGUXKL-HNNXBMFYSA-N -1 3 344.224 3.296 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001236662360 1376960187 /nfs/dbraw/zinc/96/01/87/1376960187.db2.gz CQSZPBLLULFEGJ-WFASDCNBSA-N -1 3 340.261 3.464 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])cccc2F)CCN(C(=O)OC(C)(C)C)C1 ZINC001137831925 1377624061 /nfs/dbraw/zinc/62/40/61/1377624061.db2.gz SMWJIZANQMXUBB-CYBMUJFWSA-N -1 3 338.423 3.220 20 10 EGCDHM C[C@@H]1CCN(Cc2c([O-])cccc2F)C[C@H]1NC(=O)OC(C)(C)C ZINC001137831451 1377624447 /nfs/dbraw/zinc/62/44/47/1377624447.db2.gz ABKWGIPSPMPYOB-IUODEOHRSA-N -1 3 338.423 3.266 20 10 EGCDHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2c([O-])cccc2F)C1 ZINC001137840165 1377627852 /nfs/dbraw/zinc/62/78/52/1377627852.db2.gz SAMUMVZSJISPNS-STQMWFEESA-N -1 3 338.423 3.266 20 10 EGCDHM CN(Cc1cnc2ccccn12)Cc1c([O-])cccc1Br ZINC001140098545 1378007302 /nfs/dbraw/zinc/00/73/02/1378007302.db2.gz DQMZYWYUPFCAGF-UHFFFAOYSA-N -1 3 346.228 3.434 20 10 EGCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Cl)Cc2cnn(CC)c21 ZINC001140338989 1378048330 /nfs/dbraw/zinc/04/83/30/1378048330.db2.gz QEUSKZGHYBWQJF-CQSZACIVSA-N -1 3 349.862 3.398 20 10 EGCDHM CC(C)(C)OC(=O)NCC1(C)CN(Cc2c([O-])cccc2Cl)C1 ZINC001140342816 1378050338 /nfs/dbraw/zinc/05/03/38/1378050338.db2.gz ZGLFUWKFRQHPFX-UHFFFAOYSA-N -1 3 340.851 3.392 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCN(CCOc2ccccc2)CC1 ZINC001140344443 1378050564 /nfs/dbraw/zinc/05/05/64/1378050564.db2.gz JRGCHGDAAVRPMT-UHFFFAOYSA-N -1 3 346.858 3.242 20 10 EGCDHM CCOc1cccc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)n1 ZINC001140465639 1378068187 /nfs/dbraw/zinc/06/81/87/1378068187.db2.gz PABCFDQNCCUVPO-UHFFFAOYSA-N -1 3 347.846 3.162 20 10 EGCDHM C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCC[C@@H]1O ZINC001141367781 1378311700 /nfs/dbraw/zinc/31/17/00/1378311700.db2.gz PSZNYYFCCPWSLN-RNCFNFMXSA-N -1 3 348.668 3.401 20 10 EGCDHM C[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCC[C@@H]1O ZINC001141367783 1378312373 /nfs/dbraw/zinc/31/23/73/1378312373.db2.gz PSZNYYFCCPWSLN-ZANVPECISA-N -1 3 348.668 3.401 20 10 EGCDHM Cc1c(NC(=O)c2cc(O)c([O-])c(O)c2)snc1-c1ccccc1 ZINC001148583082 1379216462 /nfs/dbraw/zinc/21/64/62/1379216462.db2.gz RVQPJTHHKZXPOT-UHFFFAOYSA-N -1 3 342.376 3.488 20 10 EGCDHM Cc1ccc(C)n1-c1ccc(NCC[N-]C(=O)C(F)(F)F)cc1 ZINC001164243690 1383170396 /nfs/dbraw/zinc/17/03/96/1383170396.db2.gz AOMOKAPTXXQYLG-UHFFFAOYSA-N -1 3 325.334 3.185 20 10 EGCDHM C[C@H](C(=O)NCc1cc(Cl)c2cccnc2c1[O-])c1cccnc1 ZINC001177796894 1386048717 /nfs/dbraw/zinc/04/87/17/1386048717.db2.gz UTTJJPPUXJWPDH-NSHDSACASA-N -1 3 341.798 3.409 20 10 EGCDHM CCOc1ccc(N2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC001319715643 1386266769 /nfs/dbraw/zinc/26/67/69/1386266769.db2.gz NMGPSMFAQLBGOW-UHFFFAOYSA-N -1 3 340.423 3.062 20 10 EGCDHM CCCOc1ncccc1CN[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001595975075 983207428 /nfs/dbraw/zinc/20/74/28/983207428.db2.gz SRUHJIYKYMVWLI-LBPRGKRZSA-N -1 3 330.384 3.125 20 10 EGCDHM COc1ccc(O)c([C@@H](C)NCc2ccccc2O[C@H](C)C(=O)[O-])c1 ZINC001599598167 993776510 /nfs/dbraw/zinc/77/65/10/993776510.db2.gz HBHJMNNROIYGIA-CHWSQXEVSA-N -1 3 345.395 3.104 20 10 EGCDHM C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245981 994444867 /nfs/dbraw/zinc/44/48/67/994444867.db2.gz FPLPFKJCXGJXHS-SMDDNHRTSA-N -1 3 349.814 3.171 20 10 EGCDHM C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246575 994454383 /nfs/dbraw/zinc/45/43/83/994454383.db2.gz AOCNZDUTILDLFW-FZKQIMNGSA-N -1 3 341.407 3.255 20 10 EGCDHM C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247729 994467351 /nfs/dbraw/zinc/46/73/51/994467351.db2.gz SCXJSVMKKZMPKY-XJKSGUPXSA-N -1 3 344.411 3.171 20 10 EGCDHM C[C@H]([NH2+]CCCN(C)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265081 994569142 /nfs/dbraw/zinc/56/91/42/994569142.db2.gz OVRCFRIRBCIIET-HNNXBMFYSA-N -1 3 342.439 3.263 20 10 EGCDHM C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001594169034 998653024 /nfs/dbraw/zinc/65/30/24/998653024.db2.gz ZGZJGCWQPUEHFQ-RDTXWAMCSA-N -1 3 341.407 3.266 20 10 EGCDHM C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001594169034 998653026 /nfs/dbraw/zinc/65/30/26/998653026.db2.gz ZGZJGCWQPUEHFQ-RDTXWAMCSA-N -1 3 341.407 3.266 20 10 EGCDHM Cc1cc(Cl)cc(CNCc2ncc(C(F)(F)F)cn2)c1[O-] ZINC000295031094 455835465 /nfs/dbraw/zinc/83/54/65/455835465.db2.gz NWRLZVNDRHXJCQ-UHFFFAOYSA-N -1 3 331.725 3.453 20 10 EGCDHM CO[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1(C)C ZINC000296014399 455866311 /nfs/dbraw/zinc/86/63/11/455866311.db2.gz MTCRWLBIPAZNAI-OAHLLOKOSA-N -1 3 325.836 3.495 20 10 EGCDHM CCN(Cc1cc(C)no1)Cc1cc(Br)ccc1[O-] ZINC000076118579 453966677 /nfs/dbraw/zinc/96/66/77/453966677.db2.gz JCWBXNGOBWYWEW-UHFFFAOYSA-N -1 3 325.206 3.473 20 10 EGCDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c([O-])cccc1O ZINC000125592536 454833443 /nfs/dbraw/zinc/83/34/43/454833443.db2.gz HUASXYAOSVSZQN-UHFFFAOYSA-N -1 3 340.423 3.360 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2c2ccc(C)o2)c1[O-] ZINC000175681848 455481783 /nfs/dbraw/zinc/48/17/83/455481783.db2.gz PXRRQROWJPDQDO-INIZCTEOSA-N -1 3 333.359 3.209 20 10 EGCDHM CCCC(=O)Nc1ccc(CNC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000177672664 454890159 /nfs/dbraw/zinc/89/01/59/454890159.db2.gz WTGKSUZFTURLPQ-UHFFFAOYSA-N -1 3 342.395 3.075 20 10 EGCDHM O=C(CCCc1ccccc1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179566619 455059053 /nfs/dbraw/zinc/05/90/53/455059053.db2.gz CTVRCAFZNJWKRO-UHFFFAOYSA-N -1 3 338.451 3.059 20 10 EGCDHM [O-]c1ccccc1C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCCO1 ZINC000179882159 455092893 /nfs/dbraw/zinc/09/28/93/455092893.db2.gz PXQAXVJOARUBHB-QGZVFWFLSA-N -1 3 331.387 3.418 20 10 EGCDHM [O-]c1ccccc1C[N@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCCO1 ZINC000179882159 455092897 /nfs/dbraw/zinc/09/28/97/455092897.db2.gz PXQAXVJOARUBHB-QGZVFWFLSA-N -1 3 331.387 3.418 20 10 EGCDHM O=c1[nH]c2ccccc2n1C1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179892483 455095417 /nfs/dbraw/zinc/09/54/17/455095417.db2.gz WIBXIOWGSHDVLX-UHFFFAOYSA-N -1 3 341.386 3.011 20 10 EGCDHM O=C1CCCN1c1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000264953351 455298394 /nfs/dbraw/zinc/29/83/94/455298394.db2.gz LKSQVEYYYOILFD-UHFFFAOYSA-N -1 3 330.815 3.462 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccnc(-n2cccn2)c1 ZINC000190748395 455377776 /nfs/dbraw/zinc/37/77/76/455377776.db2.gz BZYJGIOBXOGFLK-UHFFFAOYSA-N -1 3 332.766 3.055 20 10 EGCDHM COc1ncccc1CN[C@@H](C)c1cc(Br)ccc1[O-] ZINC000184985049 455481344 /nfs/dbraw/zinc/48/13/44/455481344.db2.gz ZTRBNSWQVGBHKR-JTQLQIEISA-N -1 3 337.217 3.409 20 10 EGCDHM C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(Br)cc1[O-] ZINC000185218122 455523536 /nfs/dbraw/zinc/52/35/36/455523536.db2.gz SFXWQTGOLXDEGN-ZJUUUORDSA-N -1 3 343.265 3.109 20 10 EGCDHM Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](C)CO1 ZINC000185741406 455610837 /nfs/dbraw/zinc/61/08/37/455610837.db2.gz YZAATUZJOPJYGV-GUYCJALGSA-N -1 3 327.380 3.008 20 10 EGCDHM [O-]c1ccc(F)cc1CNc1ccccc1N1CCC(CO)CC1 ZINC000284328890 455669667 /nfs/dbraw/zinc/66/96/67/455669667.db2.gz KQOUNWWVPBBZEP-UHFFFAOYSA-N -1 3 330.403 3.352 20 10 EGCDHM Cc1cccc([C@H](NC(=O)c2cccc(O)c2[O-])c2ccccn2)c1 ZINC000193150613 455744813 /nfs/dbraw/zinc/74/48/13/455744813.db2.gz XKOUQPYCUJELTF-SFHVURJKSA-N -1 3 334.375 3.321 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(CCCO)Cc2ccccc2)c1[O-] ZINC000268964474 455746973 /nfs/dbraw/zinc/74/69/73/455746973.db2.gz JOUDKRVDPSJDIM-UHFFFAOYSA-N -1 3 331.387 3.119 20 10 EGCDHM CCCOc1ccc(CNCc2ncn(-c3ccccc3)n2)c([O-])c1 ZINC000293409322 455785489 /nfs/dbraw/zinc/78/54/89/455785489.db2.gz MHXXRJDYNXJIJW-UHFFFAOYSA-N -1 3 338.411 3.052 20 10 EGCDHM COc1c([O-])c(CN2CCc3c(F)cccc3C2)ccc1[N+](=O)[O-] ZINC000278218930 455790045 /nfs/dbraw/zinc/79/00/45/455790045.db2.gz LDZRTFCXYJWIIV-UHFFFAOYSA-N -1 3 332.331 3.006 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC2(CC1)OCCCO2 ZINC000293592891 455792302 /nfs/dbraw/zinc/79/23/02/455792302.db2.gz IPYLASRMIXCVPU-UHFFFAOYSA-N -1 3 332.227 3.428 20 10 EGCDHM Cc1cnc(C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)s1 ZINC000278313596 455814468 /nfs/dbraw/zinc/81/44/68/455814468.db2.gz YKBPMSHICYVWHP-UHFFFAOYSA-N -1 3 332.425 3.191 20 10 EGCDHM COc1c([O-])c(CN[C@H]2CCOc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000278622101 455842649 /nfs/dbraw/zinc/84/26/49/455842649.db2.gz FUSJAWUDJCUCMJ-ZDUSSCGKSA-N -1 3 348.330 3.062 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2c(F)cncc2F)c1 ZINC000285507386 455860764 /nfs/dbraw/zinc/86/07/64/455860764.db2.gz AXXZWAZJGKCPSY-ZJUUUORDSA-N -1 3 336.338 3.264 20 10 EGCDHM COCCCOc1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000285568304 455870838 /nfs/dbraw/zinc/87/08/38/455870838.db2.gz NPHHSAJQVMHDPB-UHFFFAOYSA-N -1 3 346.383 3.006 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000188324014 456044274 /nfs/dbraw/zinc/04/42/74/456044274.db2.gz AHXDJIKZQOQFBF-HNNXBMFYSA-N -1 3 345.370 3.058 20 10 EGCDHM CCN(Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000271012018 456097704 /nfs/dbraw/zinc/09/77/04/456097704.db2.gz PNAVCEJOJRMUEL-SFHVURJKSA-N -1 3 345.464 3.068 20 10 EGCDHM Cc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)c([O-])c1O ZINC000272878507 456098107 /nfs/dbraw/zinc/09/81/07/456098107.db2.gz XGJDHVJDNMTZIH-UHFFFAOYSA-N -1 3 333.428 3.360 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCOc3ccc(F)cc32)c1 ZINC000273474275 456233195 /nfs/dbraw/zinc/23/31/95/456233195.db2.gz KJYXKMKCQHVSPO-BZNIZROVSA-N -1 3 345.370 3.492 20 10 EGCDHM COc1ccc([C@H](CCO)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273512974 456235941 /nfs/dbraw/zinc/23/59/41/456235941.db2.gz RZLZEYXFNXAKQD-SJCJKPOMSA-N -1 3 346.383 3.083 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000274930527 456267085 /nfs/dbraw/zinc/26/70/85/456267085.db2.gz ODRDOTPOZYGDGM-UHFFFAOYSA-N -1 3 346.862 3.353 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@](C)(CC)OC ZINC000281574670 456268785 /nfs/dbraw/zinc/26/87/85/456268785.db2.gz VVYPESSSTOUNNN-OAHLLOKOSA-N -1 3 344.249 3.318 20 10 EGCDHM O=C1[C@H](NCc2c([O-])ccc(Cl)c2F)CCN1Cc1ccccc1 ZINC000365075796 457726210 /nfs/dbraw/zinc/72/62/10/457726210.db2.gz CFWYWYQYQALDBT-OAHLLOKOSA-N -1 3 348.805 3.075 20 10 EGCDHM Cc1ccc2nc(CNCc3cc(Br)ccc3[O-])cn2c1 ZINC000729681022 574878327 /nfs/dbraw/zinc/87/83/27/574878327.db2.gz OSEANEOONRKNRY-UHFFFAOYSA-N -1 3 346.228 3.401 20 10 EGCDHM CN(CC(=O)NCCCSc1ccccc1)Cc1ccccc1[O-] ZINC000731843718 575211933 /nfs/dbraw/zinc/21/19/33/575211933.db2.gz TWYOEILGDBUJJG-UHFFFAOYSA-N -1 3 344.480 3.123 20 10 EGCDHM COc1ccc([C@@H](CNC(=O)c2cc([O-])cs2)N2CCCC2)cc1 ZINC000731863668 575212975 /nfs/dbraw/zinc/21/29/75/575212975.db2.gz BAUXGUMWYHAGCN-MRXNPFEDSA-N -1 3 346.452 3.029 20 10 EGCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ccc(Cl)cc1 ZINC000731909835 575218441 /nfs/dbraw/zinc/21/84/41/575218441.db2.gz LLHCXKANBYJGQW-QMMMGPOBSA-N -1 3 325.773 3.291 20 10 EGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ccccc1Cl ZINC000731912216 575218700 /nfs/dbraw/zinc/21/87/00/575218700.db2.gz QRHPSLPHFFKCFQ-MRVPVSSYSA-N -1 3 325.773 3.291 20 10 EGCDHM CC(C)[C@H](NC(=O)c1cc([O-])cs1)c1ccc2c(c1)OCCO2 ZINC000732267224 575251017 /nfs/dbraw/zinc/25/10/17/575251017.db2.gz UWJXTKORBVCKHB-INIZCTEOSA-N -1 3 333.409 3.352 20 10 EGCDHM CCOc1cc2c(cc1OCC)CN(C(=O)c1cc([O-])cs1)CC2 ZINC000732258127 575253573 /nfs/dbraw/zinc/25/35/73/575253573.db2.gz NQLPXHPCWXAHOL-UHFFFAOYSA-N -1 3 347.436 3.450 20 10 EGCDHM CCC[C@@H](NC(=O)COC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732353412 575261513 /nfs/dbraw/zinc/26/15/13/575261513.db2.gz HKXCBIOMTJGUMA-CQSZACIVSA-N -1 3 333.409 3.268 20 10 EGCDHM CCOc1ccc(CNCc2nc3cc(F)ccc3n2C)c([O-])c1 ZINC000736358008 575944105 /nfs/dbraw/zinc/94/41/05/575944105.db2.gz PAJCHRVLNFXGGU-UHFFFAOYSA-N -1 3 329.375 3.107 20 10 EGCDHM CCN(Cc1cnc(C)cn1)Cc1cc(Br)ccc1[O-] ZINC000743871228 576818068 /nfs/dbraw/zinc/81/80/68/576818068.db2.gz XNPVJPUYPKIEFB-UHFFFAOYSA-N -1 3 336.233 3.275 20 10 EGCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000826250703 607667458 /nfs/dbraw/zinc/66/74/58/607667458.db2.gz NZIGLVQVTNFLMF-UHFFFAOYSA-N -1 3 348.410 3.028 20 10 EGCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000826250703 607667460 /nfs/dbraw/zinc/66/74/60/607667460.db2.gz NZIGLVQVTNFLMF-UHFFFAOYSA-N -1 3 348.410 3.028 20 10 EGCDHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000833546950 605037409 /nfs/dbraw/zinc/03/74/09/605037409.db2.gz NCSWDYURESEKHQ-AWEZNQCLSA-N -1 3 344.411 3.007 20 10 EGCDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccccc1O ZINC000751149213 1299516640 /nfs/dbraw/zinc/51/66/40/1299516640.db2.gz OHOAXCZZKKLHAO-UHFFFAOYSA-N -1 3 335.356 3.064 20 10 EGCDHM O=S(=O)([N-]Cc1ccccc1O)c1cccc(Cl)c1Cl ZINC000751150557 1299517282 /nfs/dbraw/zinc/51/72/82/1299517282.db2.gz ILJQOPJTHHVYIX-UHFFFAOYSA-N -1 3 332.208 3.178 20 10 EGCDHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000065560876 1292081659 /nfs/dbraw/zinc/08/16/59/1292081659.db2.gz KZPDRBVRDLXXOH-HNNXBMFYSA-N -1 3 340.423 3.028 20 10 EGCDHM Cc1cc([O-])c(CN2CCn3c(nnc3C(C)(C)C)C2)cc1Cl ZINC000827786742 1292373159 /nfs/dbraw/zinc/37/31/59/1292373159.db2.gz LHAHMVWWSAVBSU-UHFFFAOYSA-N -1 3 334.851 3.259 20 10 EGCDHM Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c([O-])c1C ZINC000131867999 1293703289 /nfs/dbraw/zinc/70/32/89/1293703289.db2.gz IGVDVHRFXBMCFH-UHFFFAOYSA-N -1 3 326.396 3.098 20 10 EGCDHM CCN(Cc1ccccc1NC(=O)c1ccc(C)c(O)c1[O-])C(C)=O ZINC000181958154 1295009388 /nfs/dbraw/zinc/00/93/88/1295009388.db2.gz AQDAATFSSRECSN-UHFFFAOYSA-N -1 3 342.395 3.027 20 10 EGCDHM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC000186864290 1295353197 /nfs/dbraw/zinc/35/31/97/1295353197.db2.gz HBAUGNXEPNXTLO-UHFFFAOYSA-N -1 3 341.285 3.269 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCc2ccc(Br)cc21 ZINC000187090292 1295367457 /nfs/dbraw/zinc/36/74/57/1295367457.db2.gz ICZKOGIMJBQAMM-UHFFFAOYSA-N -1 3 334.169 3.063 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](OCC(F)(F)F)C2)c1[O-] ZINC000750819748 1299458563 /nfs/dbraw/zinc/45/85/63/1299458563.db2.gz GUKSEHOAEQHFBX-CYBMUJFWSA-N -1 3 349.324 3.277 20 10 EGCDHM Cc1ccc2c(c1)C(=O)N[C@H](c1c([O-])cccc1Br)N2 ZINC000877862202 1299615312 /nfs/dbraw/zinc/61/53/12/1299615312.db2.gz HRUOTSJVWUZFDM-CQSZACIVSA-N -1 3 333.185 3.317 20 10 EGCDHM Cc1ccc2c(c1)N[C@@H](c1ccc(Br)cc1[O-])NC2=O ZINC000877866746 1299616282 /nfs/dbraw/zinc/61/62/82/1299616282.db2.gz ZAIAANBTCOCLNG-CQSZACIVSA-N -1 3 333.185 3.317 20 10 EGCDHM C[C@@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1ccc(F)cc1[O-] ZINC000756895387 1300584577 /nfs/dbraw/zinc/58/45/77/1300584577.db2.gz VHYHJLAWJNBAFM-LLVKDONJSA-N -1 3 343.358 3.103 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C(C)(C)O)CC2)c1[O-] ZINC000879626922 1300634735 /nfs/dbraw/zinc/63/47/35/1300634735.db2.gz SNCPHUNCNCTACQ-UHFFFAOYSA-N -1 3 325.836 3.231 20 10 EGCDHM COCCOc1ccccc1N[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000757580673 1300687473 /nfs/dbraw/zinc/68/74/73/1300687473.db2.gz VVBFQTFQPQBDKW-ZDUSSCGKSA-N -1 3 345.395 3.377 20 10 EGCDHM C[C@@H](NCc1nn(C)c2ccccc12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760895836 1301358220 /nfs/dbraw/zinc/35/82/20/1301358220.db2.gz BMPAJPNSNZCVCB-LLVKDONJSA-N -1 3 326.356 3.038 20 10 EGCDHM COc1c([O-])c(CN2C[C@H](C)Oc3ccc(C)cc32)ccc1[N+](=O)[O-] ZINC000775068414 1303899926 /nfs/dbraw/zinc/89/99/26/1303899926.db2.gz OHQMQRSNZZTUCB-LBPRGKRZSA-N -1 3 344.367 3.405 20 10 EGCDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])c(OCC2CC2)c1 ZINC000776669312 1304182715 /nfs/dbraw/zinc/18/27/15/1304182715.db2.gz OCIXBNWZHYDZGA-UHFFFAOYSA-N -1 3 327.380 3.125 20 10 EGCDHM [O-]c1c(F)cccc1CN1CCN(c2ccc3ccccc3n2)CC1 ZINC000779000213 1304515976 /nfs/dbraw/zinc/51/59/76/1304515976.db2.gz ROMXCSRUADBALL-UHFFFAOYSA-N -1 3 337.398 3.402 20 10 EGCDHM COc1ccc(OC(C)C)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780933561 1304753464 /nfs/dbraw/zinc/75/34/64/1304753464.db2.gz OALRWRHTALRAFI-UHFFFAOYSA-N -1 3 331.368 3.454 20 10 EGCDHM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787252681 1305720288 /nfs/dbraw/zinc/72/02/88/1305720288.db2.gz GTEZQQMCKYNYSR-GFCCVEGCSA-N -1 3 347.386 3.013 20 10 EGCDHM CCCCN(C)C(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893967782 1306154300 /nfs/dbraw/zinc/15/43/00/1306154300.db2.gz SKRWTKQEHRRLMQ-UHFFFAOYSA-N -1 3 340.414 3.141 20 10 EGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2n1C(F)F ZINC000790494602 1306336909 /nfs/dbraw/zinc/33/69/09/1306336909.db2.gz BZQIYBRWVOIZAS-VIFPVBQESA-N -1 3 347.321 3.334 20 10 EGCDHM O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1cccc(O)c1[O-] ZINC000790627541 1306364029 /nfs/dbraw/zinc/36/40/29/1306364029.db2.gz RMNYEUQQCNKQLF-STQMWFEESA-N -1 3 348.196 3.146 20 10 EGCDHM O=C(Nc1nnc(CC2CCCCC2)s1)c1cccc(O)c1[O-] ZINC000790650625 1306368706 /nfs/dbraw/zinc/36/87/06/1306368706.db2.gz OZJOTKDKCHDKGN-UHFFFAOYSA-N -1 3 333.413 3.324 20 10 EGCDHM COc1c(NCc2c([O-])cccc2Cl)cc(Cl)cc1C(N)=O ZINC000790653545 1306369155 /nfs/dbraw/zinc/36/91/55/1306369155.db2.gz UPSTZOJITXXDDT-UHFFFAOYSA-N -1 3 341.194 3.419 20 10 EGCDHM COc1ccc(CNCc2c([O-])ccc(Cl)c2F)c(OC)c1 ZINC000790948600 1308893969 /nfs/dbraw/zinc/89/39/69/1308893969.db2.gz LEMXYSBQOHTITM-UHFFFAOYSA-N -1 3 325.767 3.492 20 10 EGCDHM C[C@@H]1C[C@H](NCc2c([O-])ccc(Cl)c2F)C(=O)N1c1ccccc1 ZINC000790974851 1308901969 /nfs/dbraw/zinc/90/19/69/1308901969.db2.gz XUPHTDDKVRCRDM-ABAIWWIYSA-N -1 3 348.805 3.468 20 10 EGCDHM CO[C@@H]1CCOc2c(NC(=O)c3ccc(C)c(O)c3[O-])cccc21 ZINC000791186066 1308934518 /nfs/dbraw/zinc/93/45/18/1308934518.db2.gz JKGQLADNJFPDRT-CQSZACIVSA-N -1 3 329.352 3.129 20 10 EGCDHM Cc1ccc(C(=O)Nc2cc(NC(=O)N(C)C)ccc2C)c([O-])c1O ZINC000798083926 1310293699 /nfs/dbraw/zinc/29/36/99/1310293699.db2.gz NYTYCCLYXMSAJH-UHFFFAOYSA-N -1 3 343.383 3.060 20 10 EGCDHM CCCCN(Cc1ccccc1O)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000801548425 1310964170 /nfs/dbraw/zinc/96/41/70/1310964170.db2.gz FOXVTHCSFRIDQR-UHFFFAOYSA-N -1 3 343.379 3.269 20 10 EGCDHM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])c(F)cc1C ZINC000803555356 1317139460 /nfs/dbraw/zinc/13/94/60/1317139460.db2.gz BZZFTEFZTGGJLG-UHFFFAOYSA-N -1 3 347.342 3.283 20 10 EGCDHM CCNC(=O)OC[C@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000809690680 1317865435 /nfs/dbraw/zinc/86/54/35/1317865435.db2.gz CALFDBPLURKCJA-LLVKDONJSA-N -1 3 344.814 3.285 20 10 EGCDHM COCCCn1nccc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000809774286 1317895187 /nfs/dbraw/zinc/89/51/87/1317895187.db2.gz IKWSIINQVVWQJC-UHFFFAOYSA-N -1 3 344.242 3.222 20 10 EGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1(SC)CCC1 ZINC000811462997 1318179677 /nfs/dbraw/zinc/17/96/77/1318179677.db2.gz GVJAZXHLHUFBOI-UHFFFAOYSA-N -1 3 343.876 3.306 20 10 EGCDHM O=C1C[C@@H](c2ccccc2)N(Cc2cc(Cl)c(F)cc2[O-])CCN1 ZINC000816493817 1319166012 /nfs/dbraw/zinc/16/60/12/1319166012.db2.gz OJDMWSABPBBXCO-INIZCTEOSA-N -1 3 348.805 3.248 20 10 EGCDHM CCOCc1nc([C@H](C)NCc2cc(Cl)c(C)cc2[O-])no1 ZINC000825948890 1320374274 /nfs/dbraw/zinc/37/42/74/1320374274.db2.gz MILWVNLUSAHRMS-JTQLQIEISA-N -1 3 325.796 3.124 20 10 EGCDHM CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2[O-])no1 ZINC000841752521 1321306938 /nfs/dbraw/zinc/30/69/38/1321306938.db2.gz BDEFKEJCOLKKAG-UWVGGRQHSA-N -1 3 325.796 3.377 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@@H](C)CO)CC2)c1[O-] ZINC000844416427 1321604199 /nfs/dbraw/zinc/60/41/99/1321604199.db2.gz OXLJSGXWLNPFEN-NSHDSACASA-N -1 3 325.836 3.089 20 10 EGCDHM CCn1cc(CN(Cc2cc(F)cc(C(C)=O)c2[O-])C(C)C)cn1 ZINC000844419215 1321604251 /nfs/dbraw/zinc/60/42/51/1321604251.db2.gz XVYNXVHHZGXMSE-UHFFFAOYSA-N -1 3 333.407 3.361 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nc3c(s2)CCCC3)c1 ZINC000926917958 1327775604 /nfs/dbraw/zinc/77/56/04/1327775604.db2.gz FMRITZFZCCQJBT-NSHDSACASA-N -1 3 346.452 3.365 20 10 EGCDHM [O-]c1c(CNC(=S)NCc2ccco2)cc(Cl)c2cccnc12 ZINC001200569066 1369391380 /nfs/dbraw/zinc/39/13/80/1369391380.db2.gz DXSATGGTYNDECA-UHFFFAOYSA-N -1 3 347.827 3.351 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H](c2ccncc2)C1 ZINC001203650194 1370200365 /nfs/dbraw/zinc/20/03/65/1370200365.db2.gz MPEFZZOQVOPENX-MRXNPFEDSA-N -1 3 349.228 3.123 20 10 EGCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2c1cnn2CC ZINC001203656335 1370203964 /nfs/dbraw/zinc/20/39/64/1370203964.db2.gz NJVWFAUDUZWKDU-CQSZACIVSA-N -1 3 349.862 3.398 20 10 EGCDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(N3CCCC3)cc2)n1 ZINC001118942316 1371253602 /nfs/dbraw/zinc/25/36/02/1371253602.db2.gz PBRHCOHQRKHRAR-UHFFFAOYSA-N -1 3 326.444 3.116 20 10 EGCDHM Cc1ncc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])s1 ZINC001188423411 1388307107 /nfs/dbraw/zinc/30/71/07/1388307107.db2.gz HOUILSKGAQZOJG-UHFFFAOYSA-N -1 3 333.800 3.289 20 10 EGCDHM O=C([O-])c1ccc(O)c(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC001231562694 1376265502 /nfs/dbraw/zinc/26/55/02/1376265502.db2.gz KQAZYEINMBWQEO-UHFFFAOYSA-N -1 3 346.814 3.066 20 10 EGCDHM Cc1cccc(C)c1N1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231565982 1376266791 /nfs/dbraw/zinc/26/67/91/1376266791.db2.gz GIWZBXMFWXPZLN-UHFFFAOYSA-N -1 3 340.423 3.029 20 10 EGCDHM CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565842 1376267484 /nfs/dbraw/zinc/26/74/84/1376267484.db2.gz DLLBWZBIHNTYNS-UHFFFAOYSA-N -1 3 328.412 3.179 20 10 EGCDHM CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565842 1376267487 /nfs/dbraw/zinc/26/74/87/1376267487.db2.gz DLLBWZBIHNTYNS-UHFFFAOYSA-N -1 3 328.412 3.179 20 10 EGCDHM CCOCc1ncn2c1CN(Cc1cc(Cl)c(C)cc1[O-])CCC2 ZINC001231866913 1376329991 /nfs/dbraw/zinc/32/99/91/1376329991.db2.gz IRBWYVKEOGSADT-UHFFFAOYSA-N -1 3 349.862 3.493 20 10 EGCDHM Cc1cc([O-])c(CN2CCCN(C(=O)c3ccco3)CC2)cc1Cl ZINC001231870249 1376330800 /nfs/dbraw/zinc/33/08/00/1376330800.db2.gz PPDRVAOQGUQQDR-UHFFFAOYSA-N -1 3 348.830 3.295 20 10 EGCDHM COC(=O)c1ccc2c(c1)CCN(Cc1cccc(Cl)c1[O-])C2 ZINC001231910384 1376345773 /nfs/dbraw/zinc/34/57/73/1376345773.db2.gz NPGWGCMZKFPORZ-UHFFFAOYSA-N -1 3 331.799 3.391 20 10 EGCDHM Cc1cnc(O[C@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)nc1 ZINC001231913277 1376349149 /nfs/dbraw/zinc/34/91/49/1376349149.db2.gz KHNKIWGQPBZLBN-AWEZNQCLSA-N -1 3 333.819 3.187 20 10 EGCDHM COc1cc([O-])c(CN(Cc2cocn2)Cc2cocn2)cc1Cl ZINC001232269238 1376427626 /nfs/dbraw/zinc/42/76/26/1376427626.db2.gz UIFVVJUGTLYVDX-UHFFFAOYSA-N -1 3 349.774 3.233 20 10 EGCDHM COc1cc([O-])c(CN2CCO[C@@H](c3ccccn3)C2)cc1Cl ZINC001232269937 1376427646 /nfs/dbraw/zinc/42/76/46/1376427646.db2.gz OMLOQMMZUZNPJS-QGZVFWFLSA-N -1 3 334.803 3.023 20 10 EGCDHM CC(C)(O)[C@H]1CCCN1Cc1c([O-])cc(Br)cc1F ZINC001233029366 1376556375 /nfs/dbraw/zinc/55/63/75/1376556375.db2.gz CKKBANLDJGEUSL-CYBMUJFWSA-N -1 3 332.213 3.029 20 10 EGCDHM [O-]c1c(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)ccc(F)c1F ZINC001233077437 1376563923 /nfs/dbraw/zinc/56/39/23/1376563923.db2.gz OCKWZVQISBCTSV-HOTGVXAUSA-N -1 3 330.378 3.129 20 10 EGCDHM Cc1nc([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3[O-])C2)no1 ZINC001233416055 1376640763 /nfs/dbraw/zinc/64/07/63/1376640763.db2.gz UTGSKYJXTAKIFM-GFCCVEGCSA-N -1 3 341.333 3.482 20 10 EGCDHM COc1c(OC2CCC2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234126102 1376770959 /nfs/dbraw/zinc/77/09/59/1376770959.db2.gz ACIWUVLYAZSRNS-UHFFFAOYSA-N -1 3 338.359 3.416 20 10 EGCDHM C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1c([O-])cccc1F ZINC001137832047 1377623925 /nfs/dbraw/zinc/62/39/25/1377623925.db2.gz YIRNRYWFOAJYAO-CQSZACIVSA-N -1 3 332.394 3.377 20 10 EGCDHM CC(C)(C)OC(=O)N1CC2(C1)CCCN2Cc1c([O-])cccc1F ZINC001137832971 1377624580 /nfs/dbraw/zinc/62/45/80/1377624580.db2.gz OGMWZRKTYCFXNL-UHFFFAOYSA-N -1 3 336.407 3.117 20 10 EGCDHM COc1ccc(CN(C)Cc2c([O-])ccc3c(C)cc(=O)oc32)cc1 ZINC001139125131 1377833985 /nfs/dbraw/zinc/83/39/85/1377833985.db2.gz NDWNEYHGQOWHNM-UHFFFAOYSA-N -1 3 339.391 3.448 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])c(F)ccc2F)CCC[C@]1(O)C(F)(F)F ZINC001139684135 1377933613 /nfs/dbraw/zinc/93/36/13/1377933613.db2.gz HVVNNFVGGGVJCD-YMTOWFKASA-N -1 3 339.304 3.196 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCn2cnc(COCC3CC3)c2C1 ZINC001140340383 1378049360 /nfs/dbraw/zinc/04/93/60/1378049360.db2.gz VIKNIUBUAHXJKM-UHFFFAOYSA-N -1 3 347.846 3.185 20 10 EGCDHM Cc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140464312 1378067154 /nfs/dbraw/zinc/06/71/54/1378067154.db2.gz KRHVNWLKYYOZAK-UHFFFAOYSA-N -1 3 344.842 3.312 20 10 EGCDHM COCC[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142517732 1378452229 /nfs/dbraw/zinc/45/22/29/1378452229.db2.gz YDRNQYQSUPMSTE-SCLBCKFNSA-N -1 3 341.398 3.078 20 10 EGCDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001142524839 1378453235 /nfs/dbraw/zinc/45/32/35/1378453235.db2.gz MTRHBDFBDTXKAV-HOTGVXAUSA-N -1 3 330.378 3.129 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@H]2OCCC[C@@H]2C1 ZINC001144299012 1378713392 /nfs/dbraw/zinc/71/33/92/1378713392.db2.gz ORPUPNOBWXHOOH-MEBBXXQBSA-N -1 3 344.224 3.295 20 10 EGCDHM Cc1ccc(C(=O)Nc2cn(C)nc2C2CCCCC2)c([O-])c1O ZINC001328063809 1388657798 /nfs/dbraw/zinc/65/77/98/1388657798.db2.gz HMDWLUZJJYUTKM-UHFFFAOYSA-N -1 3 329.400 3.440 20 10 EGCDHM [O-]c1c(CNc2ncc3c(n2)COC3)cc(Cl)c2cccnc12 ZINC001168521997 1383929101 /nfs/dbraw/zinc/92/91/01/1383929101.db2.gz NCFKJIJHMKCFHB-UHFFFAOYSA-N -1 3 328.759 3.026 20 10 EGCDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])n(-c2ccc(C)cc2)n1 ZINC001319950061 1386412547 /nfs/dbraw/zinc/41/25/47/1386412547.db2.gz QRRYHYUNJUKAIM-UHFFFAOYSA-N -1 3 337.379 3.461 20 10 EGCDHM CCOc1cccc(CN2CCc3c(cccc3C(=O)[O-])C2)c1O ZINC000392384013 972478179 /nfs/dbraw/zinc/47/81/79/972478179.db2.gz XKZDILBHLTZTGH-UHFFFAOYSA-N -1 3 327.380 3.047 20 10 EGCDHM C[C@H](NCc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccccc1O ZINC001574289746 960676921 /nfs/dbraw/zinc/67/69/21/960676921.db2.gz RQFAHDMRPRSWDE-ZDUSSCGKSA-N -1 3 344.411 3.137 20 10 EGCDHM C[C@H]([NH2+]Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccccc1[O-] ZINC001574289746 960676932 /nfs/dbraw/zinc/67/69/32/960676932.db2.gz RQFAHDMRPRSWDE-ZDUSSCGKSA-N -1 3 344.411 3.137 20 10 EGCDHM CCCC[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)[O-] ZINC000840996888 979299277 /nfs/dbraw/zinc/29/92/77/979299277.db2.gz SGWMHLFFKILURF-LBPRGKRZSA-N -1 3 330.222 3.196 20 10 EGCDHM CC[C@H](C)[N@H+](CC(=O)[O-])Cc1cc(Br)cc(C)c1[O-] ZINC001594979442 982768540 /nfs/dbraw/zinc/76/85/40/982768540.db2.gz QHKPNBGCDXFWQH-JTQLQIEISA-N -1 3 330.222 3.148 20 10 EGCDHM CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(C)c1[O-] ZINC001594979442 982768549 /nfs/dbraw/zinc/76/85/49/982768549.db2.gz QHKPNBGCDXFWQH-JTQLQIEISA-N -1 3 330.222 3.148 20 10 EGCDHM CCN(CC)c1ccc(CNCc2ccccc2OCC(=O)[O-])cc1 ZINC001596288655 983708703 /nfs/dbraw/zinc/70/87/03/983708703.db2.gz XNYZCOZKYDNBOV-UHFFFAOYSA-N -1 3 342.439 3.286 20 10 EGCDHM COc1cc(C)c(C[NH2+][C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC001599391217 997040090 /nfs/dbraw/zinc/04/00/90/997040090.db2.gz LDIVBOHLXHKVKT-WMLDXEAASA-N -1 3 343.423 3.131 20 10 EGCDHM O=C(CN(Cc1ccccc1[O-])C[C@H]1CCCO1)Nc1ccccc1 ZINC000070976796 454190956 /nfs/dbraw/zinc/19/09/56/454190956.db2.gz VOTDCSZXYIAQIY-GOSISDBHSA-N -1 3 340.423 3.012 20 10 EGCDHM [O-]c1cccc(Cl)c1CNCc1cccnc1OCC(F)F ZINC000132563805 454348347 /nfs/dbraw/zinc/34/83/47/454348347.db2.gz KIUSICFOOMIJEX-UHFFFAOYSA-N -1 3 328.746 3.374 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000121204941 454405465 /nfs/dbraw/zinc/40/54/65/454405465.db2.gz AHWQSBHJNDVYIG-JTQLQIEISA-N -1 3 336.779 3.057 20 10 EGCDHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093559666 454721279 /nfs/dbraw/zinc/72/12/79/454721279.db2.gz ZDSGYJSRZXCRKZ-HUUCEWRRSA-N -1 3 345.464 3.067 20 10 EGCDHM C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccccc1[O-] ZINC000109769493 454835144 /nfs/dbraw/zinc/83/51/44/454835144.db2.gz VGKYNEAYFOEBBL-HILYYZTDSA-N -1 3 342.483 3.298 20 10 EGCDHM C[C@H](CNC(=O)[C@H](C)N(C)Cc1ccccc1[O-])c1ccccc1 ZINC000109769542 454835591 /nfs/dbraw/zinc/83/55/91/454835591.db2.gz QKZYWSIVJULJKG-CVEARBPZSA-N -1 3 326.440 3.132 20 10 EGCDHM C[C@H](NC(=O)CN(C)Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000109770533 454835911 /nfs/dbraw/zinc/83/59/11/454835911.db2.gz IVVCFTFSAMBUHG-ZDUSSCGKSA-N -1 3 332.831 3.355 20 10 EGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163781869 454864654 /nfs/dbraw/zinc/86/46/54/454864654.db2.gz QTHBLMICYPZLNJ-UHFFFAOYSA-N -1 3 345.418 3.329 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2c2ccc(C)o2)c1[O-] ZINC000175681868 455482034 /nfs/dbraw/zinc/48/20/34/455482034.db2.gz PXRRQROWJPDQDO-MRXNPFEDSA-N -1 3 333.359 3.209 20 10 EGCDHM Cc1ccc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)c([O-])c1O ZINC000179522009 455055504 /nfs/dbraw/zinc/05/55/04/455055504.db2.gz DXSDGUQCPXVTGY-MRXNPFEDSA-N -1 3 341.407 3.085 20 10 EGCDHM Cc1noc([C@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000191248477 455471339 /nfs/dbraw/zinc/47/13/39/455471339.db2.gz JEZDLORBZLMEPX-JTQLQIEISA-N -1 3 325.771 3.256 20 10 EGCDHM CCOCCCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000175844549 455504462 /nfs/dbraw/zinc/50/44/62/455504462.db2.gz DPNZWELCNPGEFP-UHFFFAOYSA-N -1 3 344.249 3.320 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c([O-])c1O ZINC000182569335 455543433 /nfs/dbraw/zinc/54/34/33/455543433.db2.gz WQAMHBFSEMKERC-GFCCVEGCSA-N -1 3 345.420 3.345 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)c([O-])c1O ZINC000182569868 455543667 /nfs/dbraw/zinc/54/36/67/455543667.db2.gz SCDLULHDURVOLW-JSGCOSHPSA-N -1 3 347.436 3.196 20 10 EGCDHM COc1c([O-])c(CN2CCc3sccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000278225572 455791096 /nfs/dbraw/zinc/79/10/96/455791096.db2.gz MDWVHYPVPHBRDR-SNVBAGLBSA-N -1 3 334.397 3.490 20 10 EGCDHM Cc1nnsc1CN[C@@H](C)c1cc(Br)ccc1[O-] ZINC000293632598 455793337 /nfs/dbraw/zinc/79/33/37/455793337.db2.gz KHSXVBUSILTIBA-ZETCQYMHSA-N -1 3 328.235 3.165 20 10 EGCDHM Cc1cc(CN[C@@H](C)c2ccc(F)cc2[O-])nc(N2CCCC2)n1 ZINC000293821378 455798169 /nfs/dbraw/zinc/79/81/69/455798169.db2.gz WBBCNVFDEKLGHB-ZDUSSCGKSA-N -1 3 330.407 3.081 20 10 EGCDHM COc1ccncc1CN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000294334627 455811941 /nfs/dbraw/zinc/81/19/41/455811941.db2.gz PEHYAGYZGQZZAN-JTQLQIEISA-N -1 3 337.217 3.409 20 10 EGCDHM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1cccc(O)c1[O-] ZINC000187117133 455872005 /nfs/dbraw/zinc/87/20/05/455872005.db2.gz BWMRPRYYZNPYSH-LBPRGKRZSA-N -1 3 346.358 3.080 20 10 EGCDHM COc1cc(Cl)cc(CN2CCCC[C@H]2c2nc(C)no2)c1[O-] ZINC000289382330 456123795 /nfs/dbraw/zinc/12/37/95/456123795.db2.gz CASMKOSXDRXNRA-ZDUSSCGKSA-N -1 3 337.807 3.473 20 10 EGCDHM CCCN(Cc1ncc(C2OCCO2)s1)Cc1ccccc1[O-] ZINC000289431007 456124549 /nfs/dbraw/zinc/12/45/49/456124549.db2.gz VRHUXTRBGYJOOI-UHFFFAOYSA-N -1 3 334.441 3.306 20 10 EGCDHM CCOc1ccccc1CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273400652 456228439 /nfs/dbraw/zinc/22/84/39/456228439.db2.gz MXIBYHVEOJLCIJ-ZDUSSCGKSA-N -1 3 329.396 3.428 20 10 EGCDHM COCc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000273609132 456241102 /nfs/dbraw/zinc/24/11/02/456241102.db2.gz VFJCBBAIZSTWRX-LLVKDONJSA-N -1 3 334.347 3.437 20 10 EGCDHM CC(=O)NCC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000219487795 547241609 /nfs/dbraw/zinc/24/16/09/547241609.db2.gz IMKMHZUDFBTXLW-UHFFFAOYSA-N -1 3 331.243 3.047 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H]2Nc3ccc(Cl)cc3C(=O)N2C)c1 ZINC000726796992 574571975 /nfs/dbraw/zinc/57/19/75/574571975.db2.gz NXOWXVSODRATOE-OAHLLOKOSA-N -1 3 346.770 3.029 20 10 EGCDHM Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731910694 575218647 /nfs/dbraw/zinc/21/86/47/575218647.db2.gz ANOKIOZVQCZXQP-UHFFFAOYSA-N -1 3 325.773 3.211 20 10 EGCDHM CC(C)[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N(C)C1CCCCC1 ZINC000732354818 575262094 /nfs/dbraw/zinc/26/20/94/575262094.db2.gz SECKMBZQLWNHEW-OAHLLOKOSA-N -1 3 339.457 3.426 20 10 EGCDHM COc1ccc2ccc([O-])c(C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)c2c1 ZINC000738079045 576285661 /nfs/dbraw/zinc/28/56/61/576285661.db2.gz MDHAZWFUNXRJRH-KRWDZBQOSA-N -1 3 341.407 3.241 20 10 EGCDHM Clc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000826351547 608295746 /nfs/dbraw/zinc/29/57/46/608295746.db2.gz QTOVZVTYNZLTAG-UHFFFAOYSA-N -1 3 338.802 3.209 20 10 EGCDHM CCCCCn1cc(CNCc2cc([N+](=O)[O-])ccc2[O-])c(C)n1 ZINC000767428060 1302671243 /nfs/dbraw/zinc/67/12/43/1302671243.db2.gz YVFANPPRLBGVGF-UHFFFAOYSA-N -1 3 332.404 3.285 20 10 EGCDHM Cc1cccc2c1N[C@@H](c1cc(O)cc(Br)c1[O-])NC2=O ZINC000077472220 1292467758 /nfs/dbraw/zinc/46/77/58/1292467758.db2.gz LZMAGDUAOPPFJR-CQSZACIVSA-N -1 3 349.184 3.023 20 10 EGCDHM Cc1cc(C(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)c(C)o1 ZINC000124028269 1293463583 /nfs/dbraw/zinc/46/35/83/1293463583.db2.gz RGHMKMBAJOYNQT-UHFFFAOYSA-N -1 3 348.830 3.213 20 10 EGCDHM Cc1ccc(C(=O)N2CCc3ccc(Br)cc32)c([O-])c1O ZINC000177685623 1294686992 /nfs/dbraw/zinc/68/69/92/1294686992.db2.gz SPWGCMVSXVLZFZ-UHFFFAOYSA-N -1 3 348.196 3.372 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c([O-])c1O ZINC000182940882 1295085491 /nfs/dbraw/zinc/08/54/91/1295085491.db2.gz DEWYPMKJQLAGRS-UHFFFAOYSA-N -1 3 333.294 3.472 20 10 EGCDHM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cccc(O)c1[O-] ZINC000186885264 1295355143 /nfs/dbraw/zinc/35/51/43/1295355143.db2.gz POBXURXWSGTJAB-UHFFFAOYSA-N -1 3 341.285 3.269 20 10 EGCDHM O=C(Nc1ccccc1OCC(F)(F)F)c1cccc(O)c1[O-] ZINC000188104772 1295436116 /nfs/dbraw/zinc/43/61/16/1295436116.db2.gz XCXQAWMAAKUROU-UHFFFAOYSA-N -1 3 327.258 3.291 20 10 EGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000725848773 1298374765 /nfs/dbraw/zinc/37/47/65/1298374765.db2.gz HRPKQTZNDSTSEU-HNNXBMFYSA-N -1 3 332.331 3.443 20 10 EGCDHM Cc1cccc2c1C(=O)N[C@@H](c1ccc(Br)cc1[O-])N2 ZINC000877848425 1299607475 /nfs/dbraw/zinc/60/74/75/1299607475.db2.gz PTHMMWCLAWCODE-AWEZNQCLSA-N -1 3 333.185 3.317 20 10 EGCDHM COc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756703051 1300550453 /nfs/dbraw/zinc/55/04/53/1300550453.db2.gz DWELTHBRTYTHSJ-NHYWBVRUSA-N -1 3 344.367 3.483 20 10 EGCDHM COc1cccc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)c1O ZINC000757101132 1300639562 /nfs/dbraw/zinc/63/95/62/1300639562.db2.gz NGOKRPBYTWLGEL-UHFFFAOYSA-N -1 3 343.276 3.087 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc3c(cc2C)OCO3)c1 ZINC000757636959 1300700271 /nfs/dbraw/zinc/70/02/71/1300700271.db2.gz HEBUJUXAMIMHOV-NSHDSACASA-N -1 3 329.352 3.389 20 10 EGCDHM CN(Cc1cnn(-c2ccccc2)n1)Cc1c([O-])cccc1Cl ZINC000768781992 1302977483 /nfs/dbraw/zinc/97/74/83/1302977483.db2.gz MDROKGCYGJZIOI-UHFFFAOYSA-N -1 3 328.803 3.258 20 10 EGCDHM CN(Cc1cccc(C(N)=O)c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768927676 1303015439 /nfs/dbraw/zinc/01/54/39/1303015439.db2.gz UWBGNMVNVQPCDL-UHFFFAOYSA-N -1 3 339.222 3.430 20 10 EGCDHM COc1ccccc1CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769316559 1303091109 /nfs/dbraw/zinc/09/11/09/1303091109.db2.gz HYHFSINDZVIMDD-UHFFFAOYSA-N -1 3 346.858 3.372 20 10 EGCDHM C[C@H](NCc1cc(F)ccc1N1CCOCC1)c1c([O-])cccc1F ZINC000886530432 1303489638 /nfs/dbraw/zinc/48/96/38/1303489638.db2.gz KIXCXHHSNHVBPC-ZDUSSCGKSA-N -1 3 348.393 3.358 20 10 EGCDHM CCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1F ZINC000774926758 1303879546 /nfs/dbraw/zinc/87/95/46/1303879546.db2.gz LIYJVGKDMODJDF-UHFFFAOYSA-N -1 3 336.319 3.459 20 10 EGCDHM COc1c([O-])c(CN2C[C@H](C)Oc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC000775072858 1303902338 /nfs/dbraw/zinc/90/23/38/1303902338.db2.gz GKDJSEFQNQDDDU-JTQLQIEISA-N -1 3 348.330 3.236 20 10 EGCDHM COc1c([O-])c(CNc2cccc3ccn(C)c32)ccc1[N+](=O)[O-] ZINC000775102902 1303908663 /nfs/dbraw/zinc/90/86/63/1303908663.db2.gz VKQFAOQYHLIOHF-UHFFFAOYSA-N -1 3 327.340 3.413 20 10 EGCDHM CN(C)c1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000786848404 1305641595 /nfs/dbraw/zinc/64/15/95/1305641595.db2.gz MKSAMRYTBXUVMZ-UHFFFAOYSA-N -1 3 348.393 3.376 20 10 EGCDHM CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(F)cc(F)c1[O-] ZINC000893945802 1306140214 /nfs/dbraw/zinc/14/02/14/1306140214.db2.gz HQVWCYLPJXPVTL-UHFFFAOYSA-N -1 3 346.377 3.195 20 10 EGCDHM CC(C)(C)OC(=O)NC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893947416 1306141474 /nfs/dbraw/zinc/14/14/74/1306141474.db2.gz IPZKSKYSELGDFG-UHFFFAOYSA-N -1 3 342.386 3.160 20 10 EGCDHM O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC000790613485 1306363174 /nfs/dbraw/zinc/36/31/74/1306363174.db2.gz BHICRRRCBHPFQI-YPMHNXCESA-N -1 3 337.297 3.403 20 10 EGCDHM CN(C)C(=O)Sc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790639977 1306366752 /nfs/dbraw/zinc/36/67/52/1306366752.db2.gz MAULUTMXNBFHIU-UHFFFAOYSA-N -1 3 332.381 3.124 20 10 EGCDHM O=C(CNCc1c([O-])ccc(Cl)c1F)Nc1cccc(F)c1 ZINC000790954961 1308894957 /nfs/dbraw/zinc/89/49/57/1308894957.db2.gz HUZZFZCJEGKSCM-UHFFFAOYSA-N -1 3 326.730 3.052 20 10 EGCDHM C[C@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895034379 1309165275 /nfs/dbraw/zinc/16/52/75/1309165275.db2.gz QIECMOHKSWPDIW-VHSXEESVSA-N -1 3 348.668 3.258 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(Cc3cscn3)CC2)cc1Cl ZINC000824609620 1320269899 /nfs/dbraw/zinc/26/98/99/1320269899.db2.gz BVSOBRXWLJIXKW-UHFFFAOYSA-N -1 3 337.876 3.128 20 10 EGCDHM CCOc1ncccc1CNCc1c([O-])cccc1Br ZINC000858093998 1328680453 /nfs/dbraw/zinc/68/04/53/1328680453.db2.gz CFABRUXYAVIZHN-UHFFFAOYSA-N -1 3 337.217 3.238 20 10 EGCDHM CC[C@H](NCc1c([O-])cccc1Br)C(=O)OC(C)(C)C ZINC000858183763 1328706209 /nfs/dbraw/zinc/70/62/09/1328706209.db2.gz FDOGKFWWYRNJTJ-LBPRGKRZSA-N -1 3 344.249 3.365 20 10 EGCDHM CC[C@H](N[C@H](C)c1ncn(C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238028 1317984240 /nfs/dbraw/zinc/98/42/40/1317984240.db2.gz HIAPELIVOZJBIE-SKDRFNHKSA-N -1 3 328.338 3.341 20 10 EGCDHM CCc1nocc1CN(C)Cc1cccc(Br)c1[O-] ZINC000816652725 1319201735 /nfs/dbraw/zinc/20/17/35/1319201735.db2.gz ROTNCOWOYHRKMG-UHFFFAOYSA-N -1 3 325.206 3.337 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816666118 1319205012 /nfs/dbraw/zinc/20/50/12/1319205012.db2.gz FCMJTTAHGQNSGI-HZPDHXFCSA-N -1 3 338.245 3.298 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000818933309 1319580396 /nfs/dbraw/zinc/58/03/96/1319580396.db2.gz NTGJFCQDWXRPJE-CYBMUJFWSA-N -1 3 333.771 3.045 20 10 EGCDHM CCn1ccc(CN[C@H](C)c2cc(Br)c(F)cc2[O-])n1 ZINC000840840550 1321160792 /nfs/dbraw/zinc/16/07/92/1321160792.db2.gz LHQORTOCYCBWCB-SECBINFHSA-N -1 3 342.212 3.361 20 10 EGCDHM C[C@H](N[C@@H](C)c1ccc(Br)cc1[O-])c1csnn1 ZINC000840886414 1321171388 /nfs/dbraw/zinc/17/13/88/1321171388.db2.gz VNUZMUXIYJFAPX-YUMQZZPRSA-N -1 3 328.235 3.418 20 10 EGCDHM Cc1noc([C@@H](C)N(C)Cc2cc(Br)ccc2[O-])n1 ZINC000848926454 1322047405 /nfs/dbraw/zinc/04/74/05/1322047405.db2.gz YBIYRDKGUQBQPB-MRVPVSSYSA-N -1 3 326.194 3.039 20 10 EGCDHM COC[C@H](C)N(C(=O)c1cccc(O)c1[O-])[C@H]1CCc2ccccc21 ZINC000863724651 1329577408 /nfs/dbraw/zinc/57/74/08/1329577408.db2.gz VKLHWEDAIKVPME-GUYCJALGSA-N -1 3 341.407 3.262 20 10 EGCDHM CC(C)OC(=O)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001193491781 1368044678 /nfs/dbraw/zinc/04/46/78/1368044678.db2.gz JEGOPIGUTLLYAB-UHFFFAOYSA-N -1 3 325.320 3.125 20 10 EGCDHM O=S(=O)(Cc1ccc(Cl)c(F)c1)Nc1ccc([O-])c(F)c1 ZINC001197671840 1368869492 /nfs/dbraw/zinc/86/94/92/1368869492.db2.gz DWAJKSOWQJVQTF-UHFFFAOYSA-N -1 3 333.743 3.266 20 10 EGCDHM O=C1c2cccc(OC[C@@H]3CCC=CO3)c2C(=O)c2cccc([O-])c21 ZINC001229187289 1375783606 /nfs/dbraw/zinc/78/36/06/1375783606.db2.gz XRVGZWLDWIDXQA-LBPRGKRZSA-N -1 3 336.343 3.239 20 10 EGCDHM CC1(C)CN(Cc2c([O-])cc(Br)cc2F)[C@](C)(CO)C1 ZINC001233028764 1376556295 /nfs/dbraw/zinc/55/62/95/1376556295.db2.gz UTVGLIQCZPMZDB-HNNXBMFYSA-N -1 3 346.240 3.277 20 10 EGCDHM COC(=O)CCN(Cc1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233334585 1376617970 /nfs/dbraw/zinc/61/79/70/1376617970.db2.gz MNACSBWQBLOZDT-UHFFFAOYSA-N -1 3 335.350 3.236 20 10 EGCDHM [O-]c1ccc(F)c(F)c1CN(Cc1cccnc1)C1CCOCC1 ZINC001233334407 1376618317 /nfs/dbraw/zinc/61/83/17/1376618317.db2.gz FLEFWJNOFFRZGF-UHFFFAOYSA-N -1 3 334.366 3.247 20 10 EGCDHM Cc1cccnc1O[C@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336432 1376620848 /nfs/dbraw/zinc/62/08/48/1376620848.db2.gz LKDHIVMALIUFEL-ZDUSSCGKSA-N -1 3 334.366 3.417 20 10 EGCDHM CC(C)(C)OC(=O)N1CC2(C1)CCCN2Cc1cccc(F)c1[O-] ZINC001138124114 1377680734 /nfs/dbraw/zinc/68/07/34/1377680734.db2.gz ZSMTVKNDCSHDEU-UHFFFAOYSA-N -1 3 336.407 3.117 20 10 EGCDHM CC(C)(C)OC(=O)N1CC2(CCN2Cc2c([O-])cccc2Cl)C1 ZINC001140337705 1378048270 /nfs/dbraw/zinc/04/82/70/1378048270.db2.gz AEDQUZKCQDFSTI-UHFFFAOYSA-N -1 3 338.835 3.241 20 10 EGCDHM Cc1cccnc1O[C@H]1CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140585587 1378090284 /nfs/dbraw/zinc/09/02/84/1378090284.db2.gz PBBZQXPFYHBRNJ-AWEZNQCLSA-N -1 3 334.366 3.417 20 10 EGCDHM CC(C)(C)OC(=O)[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142520943 1378452369 /nfs/dbraw/zinc/45/23/69/1378452369.db2.gz RTLBRTYGYGCIQY-NSHDSACASA-N -1 3 327.371 3.224 20 10 EGCDHM [O-]c1cc(F)c(F)cc1CN1CCN2CCc3ccccc3[C@H]2C1 ZINC001142527352 1378453582 /nfs/dbraw/zinc/45/35/82/1378453582.db2.gz SBRNNAIWBUYEJM-GOSISDBHSA-N -1 3 330.378 3.085 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001144293197 1378711146 /nfs/dbraw/zinc/71/11/46/1378711146.db2.gz LYULAKMWHDQRDK-MEBBXXQBSA-N -1 3 344.224 3.295 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CCC2(CCO2)CC1 ZINC001144306750 1378714372 /nfs/dbraw/zinc/71/43/72/1378714372.db2.gz OQMWGXXBXAWVLM-UHFFFAOYSA-N -1 3 330.197 3.049 20 10 EGCDHM N=C(Cc1cccc(C(F)(F)F)c1)NC(=O)c1cccc(O)c1[O-] ZINC001148224643 1379136223 /nfs/dbraw/zinc/13/62/23/1379136223.db2.gz RIUPTCGCJOYOLV-UHFFFAOYSA-N -1 3 338.285 3.066 20 10 EGCDHM Cc1cccc(CNC(F)(F)c2cc(Cl)nc(=S)[n-]2)c1O ZINC001160769241 1382190575 /nfs/dbraw/zinc/19/05/75/1382190575.db2.gz CDSSAPJUIWBJFR-UHFFFAOYSA-N -1 3 331.775 3.272 20 10 EGCDHM [O-]c1c(CNc2ncnc3c2COCC3)cc(Cl)c2cccnc12 ZINC001168527895 1383930432 /nfs/dbraw/zinc/93/04/32/1383930432.db2.gz OIFJKAFBCOVSOW-UHFFFAOYSA-N -1 3 342.786 3.069 20 10 EGCDHM Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[O-] ZINC000826267448 1428384595 /nfs/dbraw/zinc/38/45/95/1428384595.db2.gz GMCHWHBCAYWEHR-NSHDSACASA-N -1 3 343.818 3.385 20 10 EGCDHM Cc1cc(Cl)cc(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)c1[O-] ZINC000844938895 979402929 /nfs/dbraw/zinc/40/29/29/979402929.db2.gz LZJYOMOJHGMYCA-SFHVURJKSA-N -1 3 333.815 3.486 20 10 EGCDHM CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001593229971 994355802 /nfs/dbraw/zinc/35/58/02/994355802.db2.gz AETQSZZHQIGIQE-IUODEOHRSA-N -1 3 343.427 3.076 20 10 EGCDHM C[C@@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256325 994521303 /nfs/dbraw/zinc/52/13/03/994521303.db2.gz HPEZVWXZIFSGJX-HIFRSBDPSA-N -1 3 349.427 3.207 20 10 EGCDHM C[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593304871 994756014 /nfs/dbraw/zinc/75/60/14/994756014.db2.gz RWTVOSSAJWXWCA-ZDUSSCGKSA-N -1 3 337.379 3.127 20 10 EGCDHM COc1ccccc1[C@@H](NCc1cc(F)ccc1[O-])c1noc(C)n1 ZINC000180755186 455239971 /nfs/dbraw/zinc/23/99/71/455239971.db2.gz XNQABXFCDVQGFJ-QGZVFWFLSA-N -1 3 343.358 3.111 20 10 EGCDHM C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])C(=O)NCc1ccco1 ZINC000111398908 454863342 /nfs/dbraw/zinc/86/33/42/454863342.db2.gz WVUHKKNSRGTLIB-SECBINFHSA-N -1 3 343.210 3.087 20 10 EGCDHM COc1cccc(-c2noc([C@H](C)NCc3cc(F)ccc3[O-])n2)c1 ZINC000191562766 455496998 /nfs/dbraw/zinc/49/69/98/455496998.db2.gz OWKCNWXAKOOQFN-NSHDSACASA-N -1 3 343.358 3.441 20 10 EGCDHM Cc1cc(CN[C@H](C)c2ccc(F)cc2[O-])nc(N2CCCC2)n1 ZINC000293821371 455798597 /nfs/dbraw/zinc/79/85/97/455798597.db2.gz WBBCNVFDEKLGHB-CYBMUJFWSA-N -1 3 330.407 3.081 20 10 EGCDHM COc1c([O-])c(CN(C)Cc2cccc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000278321454 455816706 /nfs/dbraw/zinc/81/67/06/455816706.db2.gz YEMKCEQWUSCZTC-UHFFFAOYSA-N -1 3 345.399 3.007 20 10 EGCDHM CO[C@@H]1CCN(Cc2cc(Br)ccc2[O-])CC1(C)C ZINC000294939622 455833178 /nfs/dbraw/zinc/83/31/78/455833178.db2.gz GVYQIXIIZIHHBA-CQSZACIVSA-N -1 3 328.250 3.402 20 10 EGCDHM CC1CCN(Cc2csc(NC(=O)c3cccc(O)c3[O-])n2)CC1 ZINC000186838847 455843223 /nfs/dbraw/zinc/84/32/23/455843223.db2.gz COKFQSMILLLIJJ-UHFFFAOYSA-N -1 3 347.440 3.039 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000186905915 455848789 /nfs/dbraw/zinc/84/87/89/455848789.db2.gz NFZIBMXBMXJEBT-LBPRGKRZSA-N -1 3 338.363 3.259 20 10 EGCDHM Cc1csc([C@H](NC(=O)c2ccc(C)c(O)c2[O-])C(F)(F)F)n1 ZINC000295955957 455864357 /nfs/dbraw/zinc/86/43/57/455864357.db2.gz MMIJVNYIOARADE-NSHDSACASA-N -1 3 346.330 3.205 20 10 EGCDHM Cc1ccc(-c2nc(CCNC(=O)c3cccc(O)c3[O-])co2)cc1 ZINC000187056028 455866248 /nfs/dbraw/zinc/86/62/48/455866248.db2.gz FBRCKLKQDVBPAL-UHFFFAOYSA-N -1 3 338.363 3.034 20 10 EGCDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187699719 455940861 /nfs/dbraw/zinc/94/08/61/455940861.db2.gz SOZSKBXQLHAEKX-SECBINFHSA-N -1 3 338.310 3.438 20 10 EGCDHM COc1ccccc1[C@@H](CNC(=O)c1cccc(O)c1[O-])OC(C)C ZINC000280593688 456008661 /nfs/dbraw/zinc/00/86/61/456008661.db2.gz XQFXBXGKEBFBMP-QGZVFWFLSA-N -1 3 345.395 3.003 20 10 EGCDHM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3cccc(O)c3[O-])nc2c1 ZINC000188481361 456071208 /nfs/dbraw/zinc/07/12/08/456071208.db2.gz PUPQSMZELNUSOI-HNNXBMFYSA-N -1 3 337.379 3.260 20 10 EGCDHM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cccc(O)c3[O-])[nH]c2c1 ZINC000188481361 456071213 /nfs/dbraw/zinc/07/12/13/456071213.db2.gz PUPQSMZELNUSOI-HNNXBMFYSA-N -1 3 337.379 3.260 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN[C@H]1COc2ccccc2[C@H]1O ZINC000288671340 456103057 /nfs/dbraw/zinc/10/30/57/456103057.db2.gz WKWAKOREZLYSIO-XJKSGUPXSA-N -1 3 340.206 3.283 20 10 EGCDHM CCOC1CC2(C1)CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000289832442 456148029 /nfs/dbraw/zinc/14/80/29/456148029.db2.gz UJJVQPPVSYFMRI-UHFFFAOYSA-N -1 3 340.807 3.345 20 10 EGCDHM C[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC[S@@]1=O ZINC000277447494 456827804 /nfs/dbraw/zinc/82/78/04/456827804.db2.gz JRCMPJISYAKXAX-CMJOXMDJSA-N -1 3 329.465 3.402 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000363851281 457454805 /nfs/dbraw/zinc/45/48/05/457454805.db2.gz QLMVUULPDAJBAH-CYBMUJFWSA-N -1 3 325.836 3.063 20 10 EGCDHM CCO[C@@H]1C[C@@H](NCc2c([O-])ccc(Cl)c2F)[C@@]12CCCO2 ZINC000364583403 457648437 /nfs/dbraw/zinc/64/84/37/457648437.db2.gz SQHAZBWYCXEYDB-FMKPAKJESA-N -1 3 329.799 3.001 20 10 EGCDHM COc1c([O-])c(CN2C[C@@H](C)C[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755940 457687324 /nfs/dbraw/zinc/68/73/24/457687324.db2.gz CUAQKAKWORQERM-BLLLJJGKSA-N -1 3 343.383 3.287 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000365949045 457785959 /nfs/dbraw/zinc/78/59/59/457785959.db2.gz ZFIYIOLHTCMTBO-UHFFFAOYSA-N -1 3 347.361 3.471 20 10 EGCDHM COc1ccc(CN(C)C(=O)c2cc([O-])cs2)cc1OC(F)F ZINC000732268466 575251088 /nfs/dbraw/zinc/25/10/88/575251088.db2.gz ICKHISXHKMXHOG-UHFFFAOYSA-N -1 3 343.351 3.336 20 10 EGCDHM Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cc([O-])cs1 ZINC000732283499 575254514 /nfs/dbraw/zinc/25/45/14/575254514.db2.gz LIRYUKAFLKAZBN-UHFFFAOYSA-N -1 3 338.816 3.174 20 10 EGCDHM COC(=O)CCCOc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000732833988 575291199 /nfs/dbraw/zinc/29/11/99/575291199.db2.gz MILQLTWVEODFDQ-UHFFFAOYSA-N -1 3 335.381 3.038 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000735332048 575645462 /nfs/dbraw/zinc/64/54/62/575645462.db2.gz WFKLLHMGXBHRJJ-UHFFFAOYSA-N -1 3 333.253 3.411 20 10 EGCDHM CC(C)(C)c1cc(O)c([O-])c(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000736294736 575928487 /nfs/dbraw/zinc/92/84/87/575928487.db2.gz PTDOQGQRRZTKAZ-CQSZACIVSA-N -1 3 333.428 3.082 20 10 EGCDHM CCOc1cc(CCCNC(=O)c2cc([O-])cs2)ccc1OC ZINC000736687785 576005843 /nfs/dbraw/zinc/00/58/43/576005843.db2.gz FFAGRPGYWPVDQW-UHFFFAOYSA-N -1 3 335.425 3.224 20 10 EGCDHM COc1ccc2ccc([O-])c(C[NH+]3CCC4(C[C@@H]4C(=O)[O-])CC3)c2c1 ZINC000738079047 576285691 /nfs/dbraw/zinc/28/56/91/576285691.db2.gz MDHAZWFUNXRJRH-QGZVFWFLSA-N -1 3 341.407 3.241 20 10 EGCDHM O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1cc([O-])cs1 ZINC000743537518 576811452 /nfs/dbraw/zinc/81/14/52/576811452.db2.gz LYMGQUUCCHCXQG-INIZCTEOSA-N -1 3 330.453 3.411 20 10 EGCDHM CCN(Cc1cnc(C)nc1)Cc1cc(Br)ccc1[O-] ZINC000744425322 576827677 /nfs/dbraw/zinc/82/76/77/576827677.db2.gz DSWPSWCGGLRGGE-UHFFFAOYSA-N -1 3 336.233 3.275 20 10 EGCDHM CN(Cc1ccc(N2CCCCC2)cc1)[C@H](C(=O)[O-])c1cccnc1 ZINC000833695743 605041599 /nfs/dbraw/zinc/04/15/99/605041599.db2.gz VELHZWUIFMLHBM-IBGZPJMESA-N -1 3 339.439 3.330 20 10 EGCDHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CSc1nccs1 ZINC000822731935 606591294 /nfs/dbraw/zinc/59/12/94/606591294.db2.gz FKGVGYBZSKPMEQ-UHFFFAOYSA-N -1 3 341.368 3.217 20 10 EGCDHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CSc1nccs1 ZINC000822731935 606591296 /nfs/dbraw/zinc/59/12/96/606591296.db2.gz FKGVGYBZSKPMEQ-UHFFFAOYSA-N -1 3 341.368 3.217 20 10 EGCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000033705049 1291386761 /nfs/dbraw/zinc/38/67/61/1291386761.db2.gz DTFVZMFRBIQNFV-UHFFFAOYSA-N -1 3 333.287 3.092 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCN(CC(F)(F)C(F)F)CC1 ZINC000093416514 1292920097 /nfs/dbraw/zinc/92/00/97/1292920097.db2.gz BBXZAGYISOLCEC-UHFFFAOYSA-N -1 3 340.748 3.064 20 10 EGCDHM [O-]c1c(Br)cccc1CN1CCc2ccccc2[C@@H]1CO ZINC000093455499 1292923701 /nfs/dbraw/zinc/92/37/01/1292923701.db2.gz RWEAVARJBQICDU-INIZCTEOSA-N -1 3 348.240 3.246 20 10 EGCDHM [O-]c1c(Br)cccc1CN1CCc2ccccc2[C@H]1CO ZINC000093455498 1292923758 /nfs/dbraw/zinc/92/37/58/1292923758.db2.gz RWEAVARJBQICDU-MRXNPFEDSA-N -1 3 348.240 3.246 20 10 EGCDHM Cc1ccnc(-c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)n1 ZINC000179502698 1294799808 /nfs/dbraw/zinc/79/98/08/1294799808.db2.gz NZGGMAKYGHSTCQ-UHFFFAOYSA-N -1 3 335.363 3.424 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCc2cc(Br)ccc21 ZINC000185875969 1295291997 /nfs/dbraw/zinc/29/19/97/1295291997.db2.gz TUPMKUOMTVMCJP-UHFFFAOYSA-N -1 3 334.169 3.063 20 10 EGCDHM Cc1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)c([O-])c1O ZINC000751532613 1299563928 /nfs/dbraw/zinc/56/39/28/1299563928.db2.gz FMDGHWJRTXGETL-UHFFFAOYSA-N -1 3 347.440 3.101 20 10 EGCDHM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(O)cc3F)c2n1 ZINC000758168788 1300797292 /nfs/dbraw/zinc/79/72/92/1300797292.db2.gz GTKDLBUIUPLSNC-UHFFFAOYSA-N -1 3 332.356 3.189 20 10 EGCDHM Cc1ccc(CN2CCOCC2)cc1NCc1cc(F)cc(F)c1[O-] ZINC000883066806 1302228607 /nfs/dbraw/zinc/22/86/07/1302228607.db2.gz KBYPITRCXZJLRT-UHFFFAOYSA-N -1 3 348.393 3.423 20 10 EGCDHM CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(Cl)ccc1[O-] ZINC000769473338 1303121227 /nfs/dbraw/zinc/12/12/27/1303121227.db2.gz NGPCOULVFJBZQW-UHFFFAOYSA-N -1 3 339.844 3.081 20 10 EGCDHM CNC(=O)CCOc1ccc(N[C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886584248 1303512783 /nfs/dbraw/zinc/51/27/83/1303512783.db2.gz LIZYUENLQHOFJF-LBPRGKRZSA-N -1 3 332.375 3.219 20 10 EGCDHM C[C@H](N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1c([O-])cccc1F ZINC000886627026 1303531359 /nfs/dbraw/zinc/53/13/59/1303531359.db2.gz RCLZUAGVMGDKDU-NHYWBVRUSA-N -1 3 332.350 3.127 20 10 EGCDHM C[C@@H](N[C@@H](CCO)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000886801838 1303603721 /nfs/dbraw/zinc/60/37/21/1303603721.db2.gz TXPJTXQPZHYIQP-HQJQHLMTSA-N -1 3 342.155 3.119 20 10 EGCDHM COc1c([O-])c(CNc2ccc3c(c2)OCCCO3)ccc1[N+](=O)[O-] ZINC000774975028 1303885054 /nfs/dbraw/zinc/88/50/54/1303885054.db2.gz IAOBSPPWBFIPAD-UHFFFAOYSA-N -1 3 346.339 3.082 20 10 EGCDHM COc1c([O-])c(CN2C[C@H](C)Oc3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC000775083529 1303903892 /nfs/dbraw/zinc/90/38/92/1303903892.db2.gz YFFYLLFATSUURW-LBPRGKRZSA-N -1 3 344.367 3.405 20 10 EGCDHM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cccc(O)c1[O-] ZINC000776679712 1304182046 /nfs/dbraw/zinc/18/20/46/1304182046.db2.gz PSIKIGPGQDGJBD-ZDUSSCGKSA-N -1 3 333.771 3.395 20 10 EGCDHM CCOc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1OCC ZINC000780853381 1304745000 /nfs/dbraw/zinc/74/50/00/1304745000.db2.gz DKIQDZSDAPVBAM-UHFFFAOYSA-N -1 3 331.368 3.456 20 10 EGCDHM CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1Cl ZINC000780861456 1304746010 /nfs/dbraw/zinc/74/60/10/1304746010.db2.gz KWQSJRKNAKEJQF-UHFFFAOYSA-N -1 3 334.759 3.270 20 10 EGCDHM COc1ccc2c(c1)N(C(=O)c1ccc(C)c(O)c1[O-])CCCC2 ZINC000780967434 1304756378 /nfs/dbraw/zinc/75/63/78/1304756378.db2.gz UHJYQEOXRITEQP-UHFFFAOYSA-N -1 3 327.380 3.398 20 10 EGCDHM CCCCC[C@@H](NCc1cc(Br)ccc1[O-])C(=O)OC ZINC000789576982 1306187001 /nfs/dbraw/zinc/18/70/01/1306187001.db2.gz UVFASDMHCCGWOV-CYBMUJFWSA-N -1 3 344.249 3.366 20 10 EGCDHM CCCCOc1ccc(C(=O)NCc2cccc(OC)c2O)c([O-])c1 ZINC000789816386 1306219135 /nfs/dbraw/zinc/21/91/35/1306219135.db2.gz NSRRXGYHMYHCBE-UHFFFAOYSA-N -1 3 345.395 3.215 20 10 EGCDHM O=C(NCCCc1cccc(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000790570707 1306354620 /nfs/dbraw/zinc/35/46/20/1306354620.db2.gz FUMYGFWRJXHTPO-UHFFFAOYSA-N -1 3 339.313 3.479 20 10 EGCDHM COc1ccccc1C[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000790858282 1308875854 /nfs/dbraw/zinc/87/58/54/1308875854.db2.gz VHLYSPXSEFMLRT-OAHLLOKOSA-N -1 3 329.396 3.104 20 10 EGCDHM C[C@@H](O)[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894430279 1308877752 /nfs/dbraw/zinc/87/77/52/1308877752.db2.gz CWUYPYZTKYWXFT-RKDXNWHRSA-N -1 3 334.641 3.011 20 10 EGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(Oc2ccc(F)nc2)CC1 ZINC000894549770 1308948466 /nfs/dbraw/zinc/94/84/66/1308948466.db2.gz BKPULRPDVDMSPI-UHFFFAOYSA-N -1 3 338.329 3.248 20 10 EGCDHM CN(CC(F)F)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792170351 1309136313 /nfs/dbraw/zinc/13/63/13/1309136313.db2.gz SHRHZDZHGMRNQI-UHFFFAOYSA-N -1 3 336.785 3.346 20 10 EGCDHM CC[C@]1(O)CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895444848 1309339778 /nfs/dbraw/zinc/33/97/78/1309339778.db2.gz UTZBFSUWMFFJID-AWEZNQCLSA-N -1 3 332.213 3.031 20 10 EGCDHM Cc1nc(CC2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)no1 ZINC000896551692 1309913042 /nfs/dbraw/zinc/91/30/42/1309913042.db2.gz PKBSSLBEXLHVCU-UHFFFAOYSA-N -1 3 339.798 3.331 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCn2nc(C3CC3)cc2C1 ZINC000896938590 1310092335 /nfs/dbraw/zinc/09/23/35/1310092335.db2.gz QPKVBOOMFOQDJD-UHFFFAOYSA-N -1 3 348.244 3.244 20 10 EGCDHM Cc1ccc(C(=O)Nc2cc(-c3ccnn3C)ccc2C)c([O-])c1O ZINC000799037214 1310472275 /nfs/dbraw/zinc/47/22/75/1310472275.db2.gz BXGVOMWYHHLTQV-UHFFFAOYSA-N -1 3 337.379 3.367 20 10 EGCDHM [O-]c1ccc(Br)cc1CNCc1nccc(C(F)F)n1 ZINC000808435069 1317677640 /nfs/dbraw/zinc/67/76/40/1317677640.db2.gz HXENSAGEXALSNM-UHFFFAOYSA-N -1 3 344.159 3.172 20 10 EGCDHM CCN(Cc1ccccc1)c1ccc(CNC[C@H](F)C(=O)[O-])cc1 ZINC000904042612 1317775332 /nfs/dbraw/zinc/77/53/32/1317775332.db2.gz HIZZNQGZSNFHLQ-SFHVURJKSA-N -1 3 330.403 3.225 20 10 EGCDHM O=c1cc(C=Cc2ccc(N3CCC(O)CC3)cc2)nc(C2CC2)[n-]1 ZINC000905072993 1317919613 /nfs/dbraw/zinc/91/96/13/1317919613.db2.gz BRQXLHBGGZZQOF-BHQIHCQQSA-N -1 3 337.423 3.191 20 10 EGCDHM [O-]c1c(Br)cccc1CN1CCSC[C@H]1C1CC1 ZINC000824913583 1320296293 /nfs/dbraw/zinc/29/62/93/1320296293.db2.gz BFDMTQFWMXSMED-ZDUSSCGKSA-N -1 3 328.275 3.482 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(c3ccc(F)cn3)CC2)cc1Cl ZINC000825922625 1320371498 /nfs/dbraw/zinc/37/14/98/1320371498.db2.gz UHKLQNCMOBLUED-UHFFFAOYSA-N -1 3 335.810 3.210 20 10 EGCDHM COCc1nc(CNCc2ccc(Br)cc2[O-])cs1 ZINC000825948446 1320373886 /nfs/dbraw/zinc/37/38/86/1320373886.db2.gz CDCPLYKJPCYELH-UHFFFAOYSA-N -1 3 343.246 3.047 20 10 EGCDHM COc1cc(Cl)cc([C@H]2NC(C)(C)C(=O)N2c2ccccc2)c1[O-] ZINC000840825048 1321157462 /nfs/dbraw/zinc/15/74/62/1321157462.db2.gz RASXKYRDVKMXHO-INIZCTEOSA-N -1 3 346.814 3.468 20 10 EGCDHM C[C@@H](N[C@@H](C)c1cc(Br)ccc1[O-])c1csnn1 ZINC000840886040 1321171278 /nfs/dbraw/zinc/17/12/78/1321171278.db2.gz MGHZIWKDXFSFJV-JGVFFNPUSA-N -1 3 328.235 3.418 20 10 EGCDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])CC2(CCC2)O1 ZINC000843435908 1321518128 /nfs/dbraw/zinc/51/81/28/1321518128.db2.gz VWPANLGNVOAAST-NSHDSACASA-N -1 3 326.234 3.298 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C2CC2)O1 ZINC000862350641 1329476709 /nfs/dbraw/zinc/47/67/09/1329476709.db2.gz CYXICTJKJMZMCI-ZUZCIYMTSA-N -1 3 326.234 3.154 20 10 EGCDHM O=S(=O)(Cc1ccc(Cl)cc1F)Nc1ccc([O-])c(F)c1 ZINC001191898434 1367630134 /nfs/dbraw/zinc/63/01/34/1367630134.db2.gz UKWBUFRMTUBMPH-UHFFFAOYSA-N -1 3 333.743 3.266 20 10 EGCDHM COc1cc2c(cn1)CCN(Cc1cc(Br)ccc1[O-])C2 ZINC001203648287 1370199689 /nfs/dbraw/zinc/19/96/89/1370199689.db2.gz ICOQJVAJVNAGDE-UHFFFAOYSA-N -1 3 349.228 3.117 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])[C@H]2C[C@H]21 ZINC001203651156 1370201113 /nfs/dbraw/zinc/20/11/13/1370201113.db2.gz JKQUQHHMINXHDU-UONOGXRCSA-N -1 3 338.835 3.239 20 10 EGCDHM O=C1c2ccccc2[C@H]2CN(Cc3cc(Cl)ccc3[O-])CCN12 ZINC001203651697 1370201230 /nfs/dbraw/zinc/20/12/30/1370201230.db2.gz SPUVFBNOUFBPPK-MRXNPFEDSA-N -1 3 328.799 3.058 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)ccc1[O-] ZINC001203650816 1370201330 /nfs/dbraw/zinc/20/13/30/1370201330.db2.gz DKAWYIQRCABJSG-KBPBESRZSA-N -1 3 338.835 3.239 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1Cc2cnn(C3CCOCC3)c2C1 ZINC001203664469 1370208072 /nfs/dbraw/zinc/20/80/72/1370208072.db2.gz GHBFFDVSRGEINS-UHFFFAOYSA-N -1 3 333.819 3.109 20 10 EGCDHM COc1cnccc1Nc1cc(Br)cc(Cl)c1[O-] ZINC001211265640 1372516272 /nfs/dbraw/zinc/51/62/72/1372516272.db2.gz XJULGPRPAXOOMN-UHFFFAOYSA-N -1 3 329.581 3.377 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc(OC(F)F)c2)no1 ZINC001215325234 1373197686 /nfs/dbraw/zinc/19/76/86/1373197686.db2.gz HRMXUTVWOSBYTR-UHFFFAOYSA-N -1 3 336.250 3.122 20 10 EGCDHM COc1cc(Cl)ccc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325369 1373197749 /nfs/dbraw/zinc/19/77/49/1373197749.db2.gz ORXJMNVVHLLGOY-UHFFFAOYSA-N -1 3 334.715 3.182 20 10 EGCDHM COc1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1Cl ZINC001215325346 1373198012 /nfs/dbraw/zinc/19/80/12/1373198012.db2.gz NOELERWERYHPLE-UHFFFAOYSA-N -1 3 334.715 3.182 20 10 EGCDHM C[C@H](Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O)c1ncccn1 ZINC001229187107 1375783597 /nfs/dbraw/zinc/78/35/97/1375783597.db2.gz TXSMPXIETOXNRG-NSHDSACASA-N -1 3 346.342 3.098 20 10 EGCDHM Cc1cc([O-])c(CN2Cc3cnn(C4CCOCC4)c3C2)cc1Cl ZINC001231870374 1376331319 /nfs/dbraw/zinc/33/13/19/1376331319.db2.gz WTYRQCCLFJJPDE-UHFFFAOYSA-N -1 3 347.846 3.418 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233334610 1376619093 /nfs/dbraw/zinc/61/90/93/1376619093.db2.gz NOGYELAZVHVPFP-NSHDSACASA-N -1 3 342.386 3.017 20 10 EGCDHM CCOC(=O)C1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233416331 1376641273 /nfs/dbraw/zinc/64/12/73/1376641273.db2.gz DZVMVAADEXGFCN-UHFFFAOYSA-N -1 3 331.334 3.186 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001236662359 1376960344 /nfs/dbraw/zinc/96/03/44/1376960344.db2.gz CQSZPBLLULFEGJ-SWLSCSKDSA-N -1 3 340.261 3.464 20 10 EGCDHM CC(C)(C)OC(=O)N[C@]1(C)CCCN(Cc2c([O-])cccc2F)C1 ZINC001137831794 1377623949 /nfs/dbraw/zinc/62/39/49/1377623949.db2.gz NXHWYCYESITWON-GOSISDBHSA-N -1 3 338.423 3.411 20 10 EGCDHM CN(Cc1c([O-])cccc1F)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001137841347 1377629212 /nfs/dbraw/zinc/62/92/12/1377629212.db2.gz BEDPOHQTMIZGHM-ZDUSSCGKSA-N -1 3 338.423 3.363 20 10 EGCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H]1F ZINC001140341508 1378049512 /nfs/dbraw/zinc/04/95/12/1378049512.db2.gz RYZDKYUODWLRLS-QWHCGFSZSA-N -1 3 344.814 3.093 20 10 EGCDHM O=C(c1cccc(F)c1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466192 1378068509 /nfs/dbraw/zinc/06/85/09/1378068509.db2.gz ASFIBYCKBLBPGT-UHFFFAOYSA-N -1 3 348.805 3.143 20 10 EGCDHM CCn1ncc2c1[C@@H](COC)CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140467532 1378069040 /nfs/dbraw/zinc/06/90/40/1378069040.db2.gz SHTOAORDIGYHNO-CQSZACIVSA-N -1 3 335.835 3.008 20 10 EGCDHM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1ccc(Cl)cc1[O-] ZINC001140468255 1378069134 /nfs/dbraw/zinc/06/91/34/1378069134.db2.gz CEZQEEIWFPKEKD-CQSZACIVSA-N -1 3 344.842 3.392 20 10 EGCDHM Cc1cccnc1N1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142521068 1378452246 /nfs/dbraw/zinc/45/22/46/1378452246.db2.gz WIZSXDFOPQAETC-UHFFFAOYSA-N -1 3 333.382 3.086 20 10 EGCDHM COCC[C@H]1CO[C@]2(C1)CCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142517730 1378452341 /nfs/dbraw/zinc/45/23/41/1378452341.db2.gz YDRNQYQSUPMSTE-ACJLOTCBSA-N -1 3 341.398 3.078 20 10 EGCDHM O=C1OC2(CCN(Cc3cc(F)c(F)cc3[O-])CC2)c2ccccc21 ZINC001142524927 1378453454 /nfs/dbraw/zinc/45/34/54/1378453454.db2.gz PYGLDUZRAGZGBO-UHFFFAOYSA-N -1 3 345.345 3.332 20 10 EGCDHM Cc1cccnc1O[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530332 1378454471 /nfs/dbraw/zinc/45/44/71/1378454471.db2.gz DTWNFDDKJDZOAM-AWEZNQCLSA-N -1 3 334.366 3.417 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@H]2OCCC[C@H]2C1 ZINC001144299013 1378713372 /nfs/dbraw/zinc/71/33/72/1378713372.db2.gz ORPUPNOBWXHOOH-ZUZCIYMTSA-N -1 3 344.224 3.295 20 10 EGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])n(Cc2ccccc2F)n1 ZINC001148211903 1379134433 /nfs/dbraw/zinc/13/44/33/1379134433.db2.gz BPXQLSHUIUOQFJ-UHFFFAOYSA-N -1 3 341.342 3.042 20 10 EGCDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])ccc1F ZINC001148218500 1379134906 /nfs/dbraw/zinc/13/49/06/1379134906.db2.gz BYFVRMXGNZZHDR-UHFFFAOYSA-N -1 3 347.342 3.445 20 10 EGCDHM Nc1ccc(-c2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc2)cc1 ZINC001148588588 1379218017 /nfs/dbraw/zinc/21/80/17/1379218017.db2.gz WCZIEBPQBMYKIK-UHFFFAOYSA-N -1 3 336.347 3.305 20 10 EGCDHM Cc1cccc(NC(=O)c2cc(O)c([O-])c(O)c2)c1Br ZINC001148588347 1379218366 /nfs/dbraw/zinc/21/83/66/1379218366.db2.gz SZDXYTMZGRTPAT-UHFFFAOYSA-N -1 3 338.157 3.127 20 10 EGCDHM CC1(C)C[C@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CCO1 ZINC001182024961 1387095217 /nfs/dbraw/zinc/09/52/17/1387095217.db2.gz DKGKVMZFNAQANA-LLVKDONJSA-N -1 3 348.830 3.415 20 10 EGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC001331552241 1389797065 /nfs/dbraw/zinc/79/70/65/1389797065.db2.gz FGMCHPCWTVBZDC-MRXNPFEDSA-N -1 3 341.398 3.221 20 10 EGCDHM COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)c1[O-] ZINC000317650147 950910929 /nfs/dbraw/zinc/91/09/29/950910929.db2.gz RSZYAELFRSSGID-LLVKDONJSA-N -1 3 327.808 3.131 20 10 EGCDHM COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c1[O-] ZINC000317650147 950910950 /nfs/dbraw/zinc/91/09/50/950910950.db2.gz RSZYAELFRSSGID-LLVKDONJSA-N -1 3 327.808 3.131 20 10 EGCDHM O=[N+]([O-])c1ccc([O-])c(CNC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000174390405 455384968 /nfs/dbraw/zinc/38/49/68/455384968.db2.gz URSKQWVCAFCWKQ-UHFFFAOYSA-N -1 3 346.358 3.235 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1[O-] ZINC000121204788 454406064 /nfs/dbraw/zinc/40/60/64/454406064.db2.gz AHWQSBHJNDVYIG-SNVBAGLBSA-N -1 3 336.779 3.057 20 10 EGCDHM Cc1ccc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c([O-])c1O ZINC000177672457 454889698 /nfs/dbraw/zinc/88/96/98/454889698.db2.gz AXVCSDOPXGNZOO-UHFFFAOYSA-N -1 3 340.379 3.315 20 10 EGCDHM COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000177666251 454890070 /nfs/dbraw/zinc/89/00/70/454890070.db2.gz JDLHZLGYTQBPDG-INIZCTEOSA-N -1 3 327.380 3.392 20 10 EGCDHM COc1ccc(CN[C@@H](C)c2ccc(F)cc2[O-])c(OC)c1OC ZINC000185067078 455495274 /nfs/dbraw/zinc/49/52/74/455495274.db2.gz FLEUERPCUAIOTQ-NSHDSACASA-N -1 3 335.375 3.408 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c([O-])c1O ZINC000182584594 455546586 /nfs/dbraw/zinc/54/65/86/455546586.db2.gz ALKBJSKLQBXYNW-HNNXBMFYSA-N -1 3 339.391 3.284 20 10 EGCDHM [O-]c1c(Cl)cccc1CNCc1ccnc(OC2CCOCC2)c1 ZINC000271818919 455773477 /nfs/dbraw/zinc/77/34/77/455773477.db2.gz BZCUFMLMMJXJMK-UHFFFAOYSA-N -1 3 348.830 3.288 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000187105731 455870732 /nfs/dbraw/zinc/87/07/32/455870732.db2.gz CKWPUGZOCMAILA-UHFFFAOYSA-N -1 3 343.223 3.055 20 10 EGCDHM Cc1ccc(C(=O)Nc2ncc(C3CCOCC3)s2)c([O-])c1O ZINC000296761199 456030977 /nfs/dbraw/zinc/03/09/77/456030977.db2.gz CRMADVJGRVZXDX-UHFFFAOYSA-N -1 3 334.397 3.009 20 10 EGCDHM C[C@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1ccccc1[O-] ZINC000272856728 456091551 /nfs/dbraw/zinc/09/15/51/456091551.db2.gz MDKJJBBRKLKVIF-JTQLQIEISA-N -1 3 336.317 3.305 20 10 EGCDHM CN(Cc1nccn1CC(F)(F)F)Cc1c([O-])cccc1Cl ZINC000271150225 456142316 /nfs/dbraw/zinc/14/23/16/456142316.db2.gz KNIAWQLEDWUWRP-UHFFFAOYSA-N -1 3 333.741 3.436 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OC)c(OC)c2)c1 ZINC000273354368 456225634 /nfs/dbraw/zinc/22/56/34/456225634.db2.gz CGYPQVUFVJSUNP-NSHDSACASA-N -1 3 331.368 3.369 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2CCOc3ccc(F)cc32)c1 ZINC000273474272 456233520 /nfs/dbraw/zinc/23/35/20/456233520.db2.gz KJYXKMKCQHVSPO-BDJLRTHQSA-N -1 3 345.370 3.492 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2nnc(C)s2)c1[O-] ZINC000273614391 456240692 /nfs/dbraw/zinc/24/06/92/456240692.db2.gz OXONADLYWXRNHW-SSDOTTSWSA-N -1 3 325.821 3.259 20 10 EGCDHM O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cccc(O)c1[O-] ZINC000275166828 456270980 /nfs/dbraw/zinc/27/09/80/456270980.db2.gz VRAKLWKIKRLYRR-RDJZCZTQSA-N -1 3 343.379 3.032 20 10 EGCDHM Cc1cc(Br)cc([C@H](C)N[C@H](C)c2ncn(C)n2)c1[O-] ZINC000275789443 456315022 /nfs/dbraw/zinc/31/50/22/456315022.db2.gz WYEZMMIUVACQRS-VHSXEESVSA-N -1 3 339.237 3.003 20 10 EGCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000356180307 457510523 /nfs/dbraw/zinc/51/05/23/457510523.db2.gz ZRNSEUMOIULIMF-UHFFFAOYSA-N -1 3 345.406 3.202 20 10 EGCDHM COc1ccccc1-c1noc([C@@H](C)NCc2ccccc2[O-])n1 ZINC000364300650 457554404 /nfs/dbraw/zinc/55/44/04/457554404.db2.gz LSYSHGVTWUAVRN-GFCCVEGCSA-N -1 3 325.368 3.302 20 10 EGCDHM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000374789247 457707819 /nfs/dbraw/zinc/70/78/19/457707819.db2.gz ULYPKBQFBZNDDF-LBPRGKRZSA-N -1 3 348.834 3.107 20 10 EGCDHM [O-]c1ccc(Br)cc1CNc1cnc2c(c1)COCC2 ZINC000375042962 457768648 /nfs/dbraw/zinc/76/86/48/457768648.db2.gz UUSKFBPKSODUFZ-UHFFFAOYSA-N -1 3 335.201 3.235 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368215863 458019621 /nfs/dbraw/zinc/01/96/21/458019621.db2.gz OSNLVPXABZYLMY-SNVBAGLBSA-N -1 3 330.190 3.482 20 10 EGCDHM [O-]c1ccc(F)cc1CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000529667929 459833033 /nfs/dbraw/zinc/83/30/33/459833033.db2.gz BOGULJVBLCFZPR-UHFFFAOYSA-N -1 3 325.387 3.335 20 10 EGCDHM O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cc([O-])cs1 ZINC000731869969 575213666 /nfs/dbraw/zinc/21/36/66/575213666.db2.gz FLKITFWIVUCUHR-UHFFFAOYSA-N -1 3 335.400 3.071 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000731866392 575216256 /nfs/dbraw/zinc/21/62/56/575216256.db2.gz HKQSEZOTZFHTHP-UHFFFAOYSA-N -1 3 327.409 3.350 20 10 EGCDHM Cn1ccnc1[C@@H](NC(=O)c1cc([O-])cs1)c1ccc(Cl)cc1 ZINC000732267394 575250764 /nfs/dbraw/zinc/25/07/64/575250764.db2.gz XTRLVUKMNVLZLN-AWEZNQCLSA-N -1 3 347.827 3.360 20 10 EGCDHM CC[C@H](CNC(=O)c1cc([O-])cs1)N1CCc2ccccc2C1 ZINC000732268401 575250943 /nfs/dbraw/zinc/25/09/43/575250943.db2.gz FPWCCYGSXYAGPW-OAHLLOKOSA-N -1 3 330.453 3.020 20 10 EGCDHM O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cc([O-])cs1 ZINC000732273576 575252195 /nfs/dbraw/zinc/25/21/95/575252195.db2.gz DTNOWEGANMPLHA-UHFFFAOYSA-N -1 3 336.376 3.416 20 10 EGCDHM COCCOc1ccc(NC(=O)c2cc([O-])cs2)cc1Cl ZINC000732276837 575252906 /nfs/dbraw/zinc/25/29/06/575252906.db2.gz SXQADMZSKXKKHT-UHFFFAOYSA-N -1 3 327.789 3.385 20 10 EGCDHM CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353845 575261709 /nfs/dbraw/zinc/26/17/09/575261709.db2.gz BFVWJNLNRLODKL-VIFPVBQESA-N -1 3 337.422 3.360 20 10 EGCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)N(C)C1CCCCC1 ZINC000732354817 575262071 /nfs/dbraw/zinc/26/20/71/575262071.db2.gz SECKMBZQLWNHEW-HNNXBMFYSA-N -1 3 339.457 3.426 20 10 EGCDHM O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1cc([O-])cs1 ZINC000734551247 575511451 /nfs/dbraw/zinc/51/14/51/575511451.db2.gz OIRNTYKDNRXBMB-UHFFFAOYSA-N -1 3 335.772 3.087 20 10 EGCDHM CN(C)c1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000736780240 576027304 /nfs/dbraw/zinc/02/73/04/576027304.db2.gz OZSSCFDDSYEOSV-UHFFFAOYSA-N -1 3 345.410 3.093 20 10 EGCDHM CN(C)c1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000736780240 576027307 /nfs/dbraw/zinc/02/73/07/576027307.db2.gz OZSSCFDDSYEOSV-UHFFFAOYSA-N -1 3 345.410 3.093 20 10 EGCDHM Cc1cccc2c(=O)c(C(=O)N(C)Cc3ccc(N(C)C)cc3)c[n-]c12 ZINC000741741208 576715789 /nfs/dbraw/zinc/71/57/89/576715789.db2.gz PQLKGGDGFVCKNJ-UHFFFAOYSA-N -1 3 349.434 3.175 20 10 EGCDHM COCCN(Cc1ccco1)Cc1cccc(Br)c1[O-] ZINC000092562268 1292873976 /nfs/dbraw/zinc/87/39/76/1292873976.db2.gz FDOOYCDIEIYAOB-UHFFFAOYSA-N -1 3 340.217 3.396 20 10 EGCDHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179462174 1294795884 /nfs/dbraw/zinc/79/58/84/1294795884.db2.gz ONAUFLPJVUPZEP-UHFFFAOYSA-N -1 3 334.759 3.270 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c([O-])c1O ZINC000182178638 1295024948 /nfs/dbraw/zinc/02/49/48/1295024948.db2.gz QFUHDVCMTQNRGM-UHFFFAOYSA-N -1 3 342.395 3.187 20 10 EGCDHM COCCn1ccc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc21 ZINC000182979210 1295089165 /nfs/dbraw/zinc/08/91/65/1295089165.db2.gz YCLANRLMRFNBDP-UHFFFAOYSA-N -1 3 340.379 3.260 20 10 EGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C)c(C)c1O ZINC000187060436 1295366003 /nfs/dbraw/zinc/36/60/03/1295366003.db2.gz GQVPUTSEYAEQCO-UHFFFAOYSA-N -1 3 330.409 3.298 20 10 EGCDHM O=C(NCC1(CCOCc2ccccc2)CC1)c1cccc(O)c1[O-] ZINC000193166913 1295839746 /nfs/dbraw/zinc/83/97/46/1295839746.db2.gz CEMDUQAMMLJJOO-UHFFFAOYSA-N -1 3 341.407 3.215 20 10 EGCDHM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1cccc(O)c1[O-] ZINC000193655904 1295896237 /nfs/dbraw/zinc/89/62/37/1295896237.db2.gz IITMUXKNUWVYIG-UHFFFAOYSA-N -1 3 335.319 3.258 20 10 EGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000725848774 1298374616 /nfs/dbraw/zinc/37/46/16/1298374616.db2.gz HRPKQTZNDSTSEU-OAHLLOKOSA-N -1 3 332.331 3.443 20 10 EGCDHM COc1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])c(OC)c1 ZINC000750818935 1299458263 /nfs/dbraw/zinc/45/82/63/1299458263.db2.gz CUTRSNBBSYRWDN-UHFFFAOYSA-N -1 3 347.386 3.383 20 10 EGCDHM CC(C)Oc1ncccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756418363 1300487221 /nfs/dbraw/zinc/48/72/21/1300487221.db2.gz AUJUZKACHIFMQN-GFCCVEGCSA-N -1 3 331.372 3.333 20 10 EGCDHM COc1nc(C)cc(C)c1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756531816 1300516309 /nfs/dbraw/zinc/51/63/09/1300516309.db2.gz AZJDKYJROGLWKD-GFCCVEGCSA-N -1 3 331.372 3.172 20 10 EGCDHM CCc1c(NC(=O)c2ccc(C)c(O)c2[O-])cnn1CCC(C)C ZINC000757627278 1300696877 /nfs/dbraw/zinc/69/68/77/1300696877.db2.gz YMBHZSHTQGOPHI-UHFFFAOYSA-N -1 3 331.416 3.464 20 10 EGCDHM C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(Br)ccc1[O-] ZINC000769503851 1303129604 /nfs/dbraw/zinc/12/96/04/1303129604.db2.gz OYHHWYLQAKNESA-JTQLQIEISA-N -1 3 344.249 3.317 20 10 EGCDHM C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1c([O-])cccc1F ZINC000886547636 1303495697 /nfs/dbraw/zinc/49/56/97/1303495697.db2.gz PBIRBFJOPLHAHB-BXUZGUMPSA-N -1 3 332.350 3.127 20 10 EGCDHM C[C@H](N[C@@H](CCO)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000886801837 1303603306 /nfs/dbraw/zinc/60/33/06/1303603306.db2.gz TXPJTXQPZHYIQP-CPCISQLKSA-N -1 3 342.155 3.119 20 10 EGCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cccc(F)c1[O-] ZINC000775968423 1304071107 /nfs/dbraw/zinc/07/11/07/1304071107.db2.gz IGGZMOVXYQVDDC-OLZOCXBDSA-N -1 3 338.423 3.361 20 10 EGCDHM CC[C@H](CNC(=O)c1cccc(O)c1[O-])Oc1ccccc1Cl ZINC000776667796 1304182140 /nfs/dbraw/zinc/18/21/40/1304182140.db2.gz CABLFGNYRNZHFO-LLVKDONJSA-N -1 3 335.787 3.339 20 10 EGCDHM O=C(NCc1cc(Cl)ccc1OC(F)F)c1cccc(O)c1[O-] ZINC000776667492 1304182455 /nfs/dbraw/zinc/18/24/55/1304182455.db2.gz ACUDYMOBGOUFRU-UHFFFAOYSA-N -1 3 343.713 3.283 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)c([O-])c1O ZINC000780997430 1304758773 /nfs/dbraw/zinc/75/87/73/1304758773.db2.gz DJNUIPIXMBSMPI-UHFFFAOYSA-N -1 3 337.335 3.241 20 10 EGCDHM O=C(NCc1ccc(OC2CCCCC2)nc1)c1cccc(O)c1[O-] ZINC000790617486 1306362582 /nfs/dbraw/zinc/36/25/82/1306362582.db2.gz DHUVEOZYCVLLRC-UHFFFAOYSA-N -1 3 342.395 3.134 20 10 EGCDHM C[C@@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894424273 1308872369 /nfs/dbraw/zinc/87/23/69/1308872369.db2.gz ZQLCLNMRFQBCFO-ZJUUUORDSA-N -1 3 348.668 3.401 20 10 EGCDHM C[C@H](O)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894430278 1308876920 /nfs/dbraw/zinc/87/69/20/1308876920.db2.gz CWUYPYZTKYWXFT-IUCAKERBSA-N -1 3 334.641 3.011 20 10 EGCDHM Cc1ccc(N2CCN(C(=O)c3cccc(O)c3[O-])[C@H](C)C2)cc1C ZINC000790857301 1308874780 /nfs/dbraw/zinc/87/47/80/1308874780.db2.gz NAZODCXOOITARR-OAHLLOKOSA-N -1 3 340.423 3.066 20 10 EGCDHM CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000790923242 1308887197 /nfs/dbraw/zinc/88/71/97/1308887197.db2.gz UENPVSKYRVNCKK-QFYYESIMSA-N -1 3 335.787 3.257 20 10 EGCDHM O=C(Nc1nc(Cc2ccccc2)cs1)c1cccc(O)c1[O-] ZINC000790925681 1308887782 /nfs/dbraw/zinc/88/77/82/1308887782.db2.gz BPJDRXJBNMUTOX-UHFFFAOYSA-N -1 3 326.377 3.397 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](COc2ccccc2)C1 ZINC000792187880 1309140091 /nfs/dbraw/zinc/14/00/91/1309140091.db2.gz MTSKWHQEDAUDRM-HNNXBMFYSA-N -1 3 333.815 3.325 20 10 EGCDHM CC[C@H](NCc1cn(-c2ccccc2)nn1)c1ccc(F)cc1[O-] ZINC000796840586 1310098127 /nfs/dbraw/zinc/09/81/27/1310098127.db2.gz ZNNXSFQCACJXQK-KRWDZBQOSA-N -1 3 326.375 3.353 20 10 EGCDHM Cc1cc([O-])c(CN2CCC[C@H]2C(=O)NCc2ccco2)cc1Cl ZINC000824555258 1320264740 /nfs/dbraw/zinc/26/47/40/1320264740.db2.gz CZWKIFTUABAJFD-INIZCTEOSA-N -1 3 348.830 3.228 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCSC[C@H]2C2CC2)c1[O-] ZINC000824913563 1320296077 /nfs/dbraw/zinc/29/60/77/1320296077.db2.gz BCNXHTZFKWVYCN-ZDUSSCGKSA-N -1 3 328.821 3.281 20 10 EGCDHM COc1cc(Cl)cc([C@@H]2NC(C)(C)C(=O)N2c2ccccc2)c1[O-] ZINC000840825050 1321157197 /nfs/dbraw/zinc/15/71/97/1321157197.db2.gz RASXKYRDVKMXHO-MRXNPFEDSA-N -1 3 346.814 3.468 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2COCc3ccccc32)c1[O-] ZINC000841891233 1321326927 /nfs/dbraw/zinc/32/69/27/1321326927.db2.gz MKPWQCISJQSGSS-CQSZACIVSA-N -1 3 334.759 3.315 20 10 EGCDHM CCCCN(Cc1ccccc1O)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848046041 1321926872 /nfs/dbraw/zinc/92/68/72/1321926872.db2.gz NURPIJUCQBKCAO-UHFFFAOYSA-N -1 3 341.411 3.208 20 10 EGCDHM COC(=O)CN(Cc1c([O-])cccc1Br)C1CCCC1 ZINC000862249496 1329470907 /nfs/dbraw/zinc/47/09/07/1329470907.db2.gz RFQDNUMIRJLXEF-UHFFFAOYSA-N -1 3 342.233 3.072 20 10 EGCDHM COc1ccc(CN(C)Cc2c([O-])cccc2Br)cn1 ZINC000862324272 1329475522 /nfs/dbraw/zinc/47/55/22/1329475522.db2.gz IBSZGLWSILXWNH-UHFFFAOYSA-N -1 3 337.217 3.190 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCO[C@@H](c2ccco2)C1 ZINC000862250982 1329471389 /nfs/dbraw/zinc/47/13/89/1329471389.db2.gz SNBCKOZFECVVDC-OAHLLOKOSA-N -1 3 338.201 3.321 20 10 EGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2nnc(C(F)(F)F)n21 ZINC001203664350 1370207396 /nfs/dbraw/zinc/20/73/96/1370207396.db2.gz AKZRCSTWLNVOEO-MRVPVSSYSA-N -1 3 346.740 3.233 20 10 EGCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cc2nccnc2cc1F ZINC001117510021 1371049583 /nfs/dbraw/zinc/04/95/83/1371049583.db2.gz YRHKJPUGBOGWMY-UHFFFAOYSA-N -1 3 343.705 3.211 20 10 EGCDHM COc1ccc(-c2noc(-c3cccc(O)c3[O-])n2)c(Cl)c1OC ZINC001215145855 1373177935 /nfs/dbraw/zinc/17/79/35/1373177935.db2.gz NFHLCOCZQVTYNX-UHFFFAOYSA-N -1 3 348.742 3.485 20 10 EGCDHM COc1cc([O-])c(CN2CCCC[C@@H]2c2noc(C)n2)cc1Cl ZINC001232269495 1376427101 /nfs/dbraw/zinc/42/71/01/1376427101.db2.gz CCJIAXVYARRJPL-CYBMUJFWSA-N -1 3 337.807 3.473 20 10 EGCDHM COc1ccccc1O[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233077305 1376563047 /nfs/dbraw/zinc/56/30/47/1376563047.db2.gz IBCRLESOJMALEK-ZDUSSCGKSA-N -1 3 335.350 3.332 20 10 EGCDHM COc1cc([O-])c(CN2CCc3cnccc3C2)c(Br)c1 ZINC001237058483 1376974542 /nfs/dbraw/zinc/97/45/42/1376974542.db2.gz AARGPSMJSGZBOH-UHFFFAOYSA-N -1 3 349.228 3.117 20 10 EGCDHM C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1c([O-])cccc1F ZINC001137838894 1377626880 /nfs/dbraw/zinc/62/68/80/1377626880.db2.gz MDZOINGRBODWLE-STQMWFEESA-N -1 3 338.423 3.409 20 10 EGCDHM CCN(CCN(C)C(=O)OC(C)(C)C)Cc1c([O-])cccc1F ZINC001137839971 1377628575 /nfs/dbraw/zinc/62/85/75/1377628575.db2.gz OFBCPWOZLCPUBS-UHFFFAOYSA-N -1 3 326.412 3.220 20 10 EGCDHM O=C1c2ccccc2CN1[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC001138130811 1377682231 /nfs/dbraw/zinc/68/22/31/1377682231.db2.gz IIWIFJWODMXYCQ-MRXNPFEDSA-N -1 3 340.398 3.152 20 10 EGCDHM COC(=O)[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])[C@H]1c1ccccc1 ZINC001139681469 1377932858 /nfs/dbraw/zinc/93/28/58/1377932858.db2.gz RLVRAOHMCZTTGY-DYVFJYSZSA-N -1 3 347.361 3.407 20 10 EGCDHM O=C1OC2(CCN(Cc3c(F)ccc(F)c3[O-])CC2)c2ccccc21 ZINC001139682726 1377933772 /nfs/dbraw/zinc/93/37/72/1377933772.db2.gz BIPQFFKAVLPWSB-UHFFFAOYSA-N -1 3 345.345 3.332 20 10 EGCDHM [O-]c1c(F)ccc(F)c1CN1CCN2CCc3ccccc3[C@@H]2C1 ZINC001139686093 1377934437 /nfs/dbraw/zinc/93/44/37/1377934437.db2.gz NCZDLSSAHVCLRZ-SFHVURJKSA-N -1 3 330.378 3.085 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCOC[C@H]1c1cccnc1 ZINC001140103255 1378008756 /nfs/dbraw/zinc/00/87/56/1378008756.db2.gz GGWCFVVKJWLYRB-HNNXBMFYSA-N -1 3 349.228 3.123 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCN(c2cc(Cl)ccn2)CC1 ZINC001140341511 1378049397 /nfs/dbraw/zinc/04/93/97/1378049397.db2.gz SDEBLTSEJKEOTQ-UHFFFAOYSA-N -1 3 338.238 3.416 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(Cl)cc1[O-] ZINC001140463000 1378067494 /nfs/dbraw/zinc/06/74/94/1378067494.db2.gz RMUPKUHRNNSOKD-OKILXGFUSA-N -1 3 338.835 3.239 20 10 EGCDHM C[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])[C@@H]1CO ZINC001141367459 1378311448 /nfs/dbraw/zinc/31/14/48/1378311448.db2.gz AYGVAJCBHGOXMP-TVQRCGJNSA-N -1 3 348.668 3.401 20 10 EGCDHM C[C@H]1CN(Cc2ccccc2)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142524765 1378453269 /nfs/dbraw/zinc/45/32/69/1378453269.db2.gz JODFKZRAWUCLDY-AWEZNQCLSA-N -1 3 332.394 3.377 20 10 EGCDHM CCC1(O)CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144306870 1378714030 /nfs/dbraw/zinc/71/40/30/1378714030.db2.gz UYYYKCNPSPTGDS-UHFFFAOYSA-N -1 3 332.213 3.031 20 10 EGCDHM O=C(Nc1ncc(-c2ccccc2)s1)c1cc(O)c([O-])c(O)c1 ZINC001148582128 1379216403 /nfs/dbraw/zinc/21/64/03/1379216403.db2.gz XWLWOWTZXDBJIX-UHFFFAOYSA-N -1 3 328.349 3.179 20 10 EGCDHM O=C(CNc1ccc(F)c(CN2CCCC2)c1)c1ccc([O-])c(O)c1 ZINC001170320808 1384290727 /nfs/dbraw/zinc/29/07/27/1384290727.db2.gz OWIUMDWOBCMGLF-UHFFFAOYSA-N -1 3 344.386 3.128 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1C[C@H]1C(F)(F)F ZINC001182328974 1387149286 /nfs/dbraw/zinc/14/92/86/1387149286.db2.gz NOMRETOQDRPXIF-VHSXEESVSA-N -1 3 344.720 3.408 20 10 EGCDHM COc1cc(Cl)cc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c1[O-] ZINC000322716463 970921257 /nfs/dbraw/zinc/92/12/57/970921257.db2.gz UQLPNVMRMXSLPE-UHFFFAOYSA-N -1 3 335.787 3.384 20 10 EGCDHM COc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c1[O-] ZINC000322716463 970921267 /nfs/dbraw/zinc/92/12/67/970921267.db2.gz UQLPNVMRMXSLPE-UHFFFAOYSA-N -1 3 335.787 3.384 20 10 EGCDHM C[C@H](C(=O)[O-])[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC001602821791 971630236 /nfs/dbraw/zinc/63/02/36/971630236.db2.gz RDMPKWMBGSOEPP-CQSZACIVSA-N -1 3 341.407 3.409 20 10 EGCDHM C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC001602821791 971630239 /nfs/dbraw/zinc/63/02/39/971630239.db2.gz RDMPKWMBGSOEPP-CQSZACIVSA-N -1 3 341.407 3.409 20 10 EGCDHM C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592459017 978175878 /nfs/dbraw/zinc/17/58/78/978175878.db2.gz IMRWHJVKCSOADG-FHSNZYRGSA-N -1 3 329.396 3.253 20 10 EGCDHM CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](C)c3cc(C(=O)[O-])ccc3[O-])C2)n1 ZINC001597748696 989135347 /nfs/dbraw/zinc/13/53/47/989135347.db2.gz PUZHYZDBIMWKCG-DMDPSCGWSA-N -1 3 345.399 3.023 20 10 EGCDHM C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593232713 994387035 /nfs/dbraw/zinc/38/70/35/994387035.db2.gz PBLAZSOFFBGWQI-CQSZACIVSA-N -1 3 340.423 3.410 20 10 EGCDHM C[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246576 994454700 /nfs/dbraw/zinc/45/47/00/994454700.db2.gz AOCNZDUTILDLFW-SCLBCKFNSA-N -1 3 341.407 3.255 20 10 EGCDHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cccc2nsnc21 ZINC000019107853 453654370 /nfs/dbraw/zinc/65/43/70/453654370.db2.gz HGZVIDOCRUNPIO-UHFFFAOYSA-N -1 3 343.792 3.285 20 10 EGCDHM CC(C)(C)C(=O)N1CCN(Cc2c([O-])ccc3ccccc32)CC1 ZINC000075582599 453907653 /nfs/dbraw/zinc/90/76/53/453907653.db2.gz NYCHDPSJFBKMKU-UHFFFAOYSA-N -1 3 326.440 3.236 20 10 EGCDHM COc1ccc(CNC(=O)CN[C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000120023783 454248858 /nfs/dbraw/zinc/24/88/58/454248858.db2.gz ZNWRCXGODNYKDA-LBPRGKRZSA-N -1 3 348.830 3.021 20 10 EGCDHM CN(Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1ccccc1[O-] ZINC000135210058 454647326 /nfs/dbraw/zinc/64/73/26/454647326.db2.gz NSGCEMDERDYAPF-UHFFFAOYSA-N -1 3 331.322 3.352 20 10 EGCDHM CC[C@@H](C)OCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000124787028 454769989 /nfs/dbraw/zinc/76/99/89/454769989.db2.gz OWMFQJUKUGJXLU-LLVKDONJSA-N -1 3 344.249 3.318 20 10 EGCDHM CN(Cc1ccccc1[O-])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000111234986 454858819 /nfs/dbraw/zinc/85/88/19/454858819.db2.gz DLPRJIKUSVITEF-INIZCTEOSA-N -1 3 330.815 3.283 20 10 EGCDHM COc1ccc(CNCc2c([O-])cccc2Cl)c(OC)c1OC ZINC000113324268 454923407 /nfs/dbraw/zinc/92/34/07/454923407.db2.gz RZTBXJYLTHLIFA-UHFFFAOYSA-N -1 3 337.803 3.361 20 10 EGCDHM [O-]c1ccccc1CN1CCc2c(ncn2CCc2ccccc2)C1 ZINC000184742952 455440710 /nfs/dbraw/zinc/44/07/10/455440710.db2.gz KMLOSNWQODLYNA-UHFFFAOYSA-N -1 3 333.435 3.390 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)c([O-])c1O ZINC000182531700 455535056 /nfs/dbraw/zinc/53/50/56/455535056.db2.gz CDJZDXYYMVXEAL-BBRMVZONSA-N -1 3 327.380 3.008 20 10 EGCDHM C[C@H](NCC(=O)NCCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000186307329 455739610 /nfs/dbraw/zinc/73/96/10/455739610.db2.gz LUPXINBOWAZVLM-ZDUSSCGKSA-N -1 3 332.831 3.055 20 10 EGCDHM COc1ccncc1CN[C@H](C)c1cc(Br)ccc1[O-] ZINC000294398291 455814663 /nfs/dbraw/zinc/81/46/63/455814663.db2.gz SIRNMYTXIUOISR-SNVBAGLBSA-N -1 3 337.217 3.409 20 10 EGCDHM COc1c([O-])c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000296164775 455870126 /nfs/dbraw/zinc/87/01/26/455870126.db2.gz WTDPRVUEFFEPBU-JTQLQIEISA-N -1 3 347.327 3.068 20 10 EGCDHM COc1c(O)cccc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000272332595 455916760 /nfs/dbraw/zinc/91/67/60/455916760.db2.gz WVAHEFBYGNGEQO-QGZVFWFLSA-N -1 3 343.423 3.288 20 10 EGCDHM COc1cc(C)nc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000270355513 455937269 /nfs/dbraw/zinc/93/72/69/455937269.db2.gz WXEGTMPRRCYTPZ-SFHVURJKSA-N -1 3 342.439 3.285 20 10 EGCDHM C[C@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000187802134 455954585 /nfs/dbraw/zinc/95/45/85/455954585.db2.gz XPVURIBCIFNYQX-ZETCQYMHSA-N -1 3 335.276 3.274 20 10 EGCDHM C[C@@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1ccccc1[O-] ZINC000272856730 456092084 /nfs/dbraw/zinc/09/20/84/456092084.db2.gz MDKJJBBRKLKVIF-SNVBAGLBSA-N -1 3 336.317 3.305 20 10 EGCDHM COC[C@@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccc(C)o1 ZINC000273363282 456224947 /nfs/dbraw/zinc/22/49/47/456224947.db2.gz AUKHZVONXQARLX-SWLSCSKDSA-N -1 3 333.384 3.119 20 10 EGCDHM CC(C)Oc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000273390253 456226461 /nfs/dbraw/zinc/22/64/61/456226461.db2.gz KKKQUDWDJFFLLH-LBPRGKRZSA-N -1 3 331.372 3.333 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000273382868 456226949 /nfs/dbraw/zinc/22/69/49/456226949.db2.gz ISOBMXWOLDFAKU-NWDGAFQWSA-N -1 3 344.367 3.499 20 10 EGCDHM CCc1ccc([C@@H](COC)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])o1 ZINC000273614566 456241369 /nfs/dbraw/zinc/24/13/69/456241369.db2.gz WYGNJPYXOPOBLL-MLGOLLRUSA-N -1 3 347.411 3.373 20 10 EGCDHM Cc1cnn([C@@H]2CCN(Cc3cc(Br)ccc3[O-])C2)c1 ZINC000290868976 456452528 /nfs/dbraw/zinc/45/25/28/456452528.db2.gz KCOCSXXKABSHKE-CQSZACIVSA-N -1 3 336.233 3.107 20 10 EGCDHM CCCCN(Cc1cn(C)nc1C(=O)OCC)Cc1ccccc1[O-] ZINC000283097376 456711398 /nfs/dbraw/zinc/71/13/98/456711398.db2.gz SPTRXMMUHFZWMY-UHFFFAOYSA-N -1 3 345.443 3.105 20 10 EGCDHM Cc1cc[nH]c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000373898428 457389373 /nfs/dbraw/zinc/38/93/73/457389373.db2.gz FSSDQOUIORCYJA-HNNXBMFYSA-N -1 3 347.846 3.077 20 10 EGCDHM COc1ccc([C@H](NCc2cc(F)cc(C(C)=O)c2[O-])C2CC2)cn1 ZINC000528849612 459815094 /nfs/dbraw/zinc/81/50/94/459815094.db2.gz RQKJEXDVAKDNIV-GOSISDBHSA-N -1 3 344.386 3.378 20 10 EGCDHM COc1ccc([C@H](CNC(=O)c2cc([O-])cs2)N2CCCC2)cc1 ZINC000731863667 575213033 /nfs/dbraw/zinc/21/30/33/575213033.db2.gz BAUXGUMWYHAGCN-INIZCTEOSA-N -1 3 346.452 3.029 20 10 EGCDHM CC(C)(CNC(=O)c1cc([O-])cs1)N1CCc2ccccc2C1 ZINC000731871485 575214271 /nfs/dbraw/zinc/21/42/71/575214271.db2.gz NDQPSAZDRSHUBH-UHFFFAOYSA-N -1 3 330.453 3.020 20 10 EGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ccc(F)cc1Cl ZINC000732354287 575261628 /nfs/dbraw/zinc/26/16/28/575261628.db2.gz RENKCQBDDBTCLW-SSDOTTSWSA-N -1 3 343.763 3.430 20 10 EGCDHM CC(C)[C@@H](NC(=O)COC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732353745 575261679 /nfs/dbraw/zinc/26/16/79/575261679.db2.gz UGKKIXVDESOMCZ-MRXNPFEDSA-N -1 3 333.409 3.124 20 10 EGCDHM CC(C)[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCCC[C@H]1C ZINC000732354633 575262038 /nfs/dbraw/zinc/26/20/38/575262038.db2.gz OZXXHVRSZVJCHF-BXUZGUMPSA-N -1 3 325.430 3.036 20 10 EGCDHM CCn1ccnc1CN[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000738431344 576325257 /nfs/dbraw/zinc/32/52/57/576325257.db2.gz OYJTVGLNQYJORB-MRXNPFEDSA-N -1 3 348.878 3.016 20 10 EGCDHM Cc1cccc2c1N[C@H](c1cc(O)cc(Br)c1[O-])NC2=O ZINC000077472218 1292467482 /nfs/dbraw/zinc/46/74/82/1292467482.db2.gz LZMAGDUAOPPFJR-AWEZNQCLSA-N -1 3 349.184 3.023 20 10 EGCDHM CCc1ccc([C@H]2COCCN2Cc2cc(F)cc(C(C)=O)c2[O-])o1 ZINC000079437931 1292560303 /nfs/dbraw/zinc/56/03/03/1292560303.db2.gz SQZMFMGDFCUMQO-QGZVFWFLSA-N -1 3 347.386 3.463 20 10 EGCDHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000177664896 1294684478 /nfs/dbraw/zinc/68/44/78/1294684478.db2.gz AXJHKWCQQGTXEK-UHFFFAOYSA-N -1 3 337.379 3.461 20 10 EGCDHM COc1ccccc1N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000322014601 1297186935 /nfs/dbraw/zinc/18/69/35/1297186935.db2.gz IMOIZRVBLJCLHI-UHFFFAOYSA-N -1 3 332.831 3.376 20 10 EGCDHM CN1C(=O)c2ccccc2N[C@@H]1c1c([O-])cccc1Br ZINC000877842125 1299606638 /nfs/dbraw/zinc/60/66/38/1299606638.db2.gz FDXPOQBLPYVUBR-AWEZNQCLSA-N -1 3 333.185 3.351 20 10 EGCDHM Cc1ccc(CNCc2cc(F)cc(F)c2[O-])c(O[C@@H]2CCOC2)c1 ZINC000883040301 1302216833 /nfs/dbraw/zinc/21/68/33/1302216833.db2.gz WZCAAOIFSGWZAI-MRXNPFEDSA-N -1 3 349.377 3.436 20 10 EGCDHM [O-]c1c(Br)cccc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000769311038 1303090861 /nfs/dbraw/zinc/09/08/61/1303090861.db2.gz LOAVPPQWBJEQDO-CYBMUJFWSA-N -1 3 336.233 3.188 20 10 EGCDHM CCO[C@H](C)c1noc(CN(C)Cc2c([O-])cccc2Cl)n1 ZINC000769502365 1303129626 /nfs/dbraw/zinc/12/96/26/1303129626.db2.gz LYHAXRDQNFNAAO-SNVBAGLBSA-N -1 3 325.796 3.158 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)[C@H](CO)c2ccccc2C)c1[O-] ZINC000886433290 1303466243 /nfs/dbraw/zinc/46/62/43/1303466243.db2.gz FWFUWUSDBUTOTM-GOSISDBHSA-N -1 3 331.387 3.208 20 10 EGCDHM COc1c([O-])c(CN2CCC[C@H]2c2ccccn2)ccc1[N+](=O)[O-] ZINC000774834742 1303865119 /nfs/dbraw/zinc/86/51/19/1303865119.db2.gz XVDSOYDXMLXPKL-AWEZNQCLSA-N -1 3 329.356 3.041 20 10 EGCDHM COc1c([O-])c(CN2CCOc3ccccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774847737 1303866743 /nfs/dbraw/zinc/86/67/43/1303866743.db2.gz XUZKMXYUTCRWFS-LBPRGKRZSA-N -1 3 344.367 3.265 20 10 EGCDHM COC(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774929170 1303879190 /nfs/dbraw/zinc/87/91/90/1303879190.db2.gz WKAHRTBLXSJFMV-UHFFFAOYSA-N -1 3 347.327 3.099 20 10 EGCDHM CCOc1ccccc1N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775096585 1303907767 /nfs/dbraw/zinc/90/77/67/1303907767.db2.gz LWAVLDBOCLUYNS-UHFFFAOYSA-N -1 3 332.356 3.344 20 10 EGCDHM CC[C@H](C)n1ncc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C ZINC000775115932 1303912251 /nfs/dbraw/zinc/91/22/51/1303912251.db2.gz PRJXRSXLVVWEBK-JTQLQIEISA-N -1 3 334.376 3.397 20 10 EGCDHM C[C@H]1CN(Cc2cccc(F)c2[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC000779013741 1304518482 /nfs/dbraw/zinc/51/84/82/1304518482.db2.gz IJSIJJKOVZYMDW-STQMWFEESA-N -1 3 338.423 3.361 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)c([O-])c1O ZINC000780927649 1304752191 /nfs/dbraw/zinc/75/21/91/1304752191.db2.gz BDHXWTADAGZHNH-UHFFFAOYSA-N -1 3 343.770 3.498 20 10 EGCDHM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787252682 1305719872 /nfs/dbraw/zinc/71/98/72/1305719872.db2.gz GTEZQQMCKYNYSR-LBPRGKRZSA-N -1 3 347.386 3.013 20 10 EGCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1Cl ZINC000788494831 1305955544 /nfs/dbraw/zinc/95/55/44/1305955544.db2.gz YVSPIQBUXVIBCS-UHFFFAOYSA-N -1 3 341.816 3.472 20 10 EGCDHM C[C@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894424271 1308872231 /nfs/dbraw/zinc/87/22/31/1308872231.db2.gz ZQLCLNMRFQBCFO-UWVGGRQHSA-N -1 3 348.668 3.401 20 10 EGCDHM CN(C)C(=O)c1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790948595 1308893592 /nfs/dbraw/zinc/89/35/92/1308893592.db2.gz BVENLQHBKPOCTK-UHFFFAOYSA-N -1 3 336.794 3.176 20 10 EGCDHM O=C1C[C@H](NCc2c([O-])ccc(Cl)c2F)CN1c1ccccc1 ZINC000790958156 1308896795 /nfs/dbraw/zinc/89/67/95/1308896795.db2.gz JKZDVBWJKMTZDB-NSHDSACASA-N -1 3 334.778 3.080 20 10 EGCDHM COc1ccccc1[C@@H](CO)NCc1c([O-])ccc(Cl)c1F ZINC000790966328 1308898597 /nfs/dbraw/zinc/89/85/97/1308898597.db2.gz LQSQJTQSOJNSGP-CYBMUJFWSA-N -1 3 325.767 3.017 20 10 EGCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000894882493 1309113452 /nfs/dbraw/zinc/11/34/52/1309113452.db2.gz ADYTXEGHZQYEDD-OAHLLOKOSA-N -1 3 327.758 3.489 20 10 EGCDHM C[C@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895034378 1309165365 /nfs/dbraw/zinc/16/53/65/1309165365.db2.gz QIECMOHKSWPDIW-UWVGGRQHSA-N -1 3 348.668 3.258 20 10 EGCDHM Cc1noc([C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000794141247 1309473253 /nfs/dbraw/zinc/47/32/53/1309473253.db2.gz RRYNRYBETGJVAW-SECBINFHSA-N -1 3 328.199 3.380 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H](C3CCC3)C2)c1[O-] ZINC000795290249 1309717011 /nfs/dbraw/zinc/71/70/11/1309717011.db2.gz RJNZQHDCQRBMLR-OAHLLOKOSA-N -1 3 337.847 3.497 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2cnc(C(C)C)nc2)c1[O-] ZINC000799334065 1310526483 /nfs/dbraw/zinc/52/64/83/1310526483.db2.gz OEFDIHTUQCKMBD-UHFFFAOYSA-N -1 3 331.391 3.279 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCn2ncc(Br)c2C1 ZINC000827446834 1320453240 /nfs/dbraw/zinc/45/32/40/1320453240.db2.gz UMFGQNGLFDXCSP-UHFFFAOYSA-N -1 3 342.624 3.020 20 10 EGCDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc3c(c2)CCCO3)cc1 ZINC000900026442 1317220898 /nfs/dbraw/zinc/22/08/98/1317220898.db2.gz QFJPPDFPCQWQJZ-GOSISDBHSA-N -1 3 341.407 3.326 20 10 EGCDHM Cc1ccc(C(=O)Nc2cnn(CC(C)C)c2C2CC2)c([O-])c1O ZINC000813740186 1318625707 /nfs/dbraw/zinc/62/57/07/1318625707.db2.gz SBMFJJZQUMNLHV-UHFFFAOYSA-N -1 3 329.400 3.388 20 10 EGCDHM O=C1CN(Cc2ccc3ccccc3c2[O-])CN1Cc1ccccc1 ZINC000816521797 1319174894 /nfs/dbraw/zinc/17/48/94/1319174894.db2.gz YYPMVBLXKBFWKQ-UHFFFAOYSA-N -1 3 332.403 3.347 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000816567315 1319184540 /nfs/dbraw/zinc/18/45/40/1319184540.db2.gz XHNLHYYTWXOVQY-LBPRGKRZSA-N -1 3 343.826 3.202 20 10 EGCDHM CCN(CC)c1ccc(CNC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000916503436 1319661825 /nfs/dbraw/zinc/66/18/25/1319661825.db2.gz UGBJZFVBTUBKKY-UHFFFAOYSA-N -1 3 328.412 3.177 20 10 EGCDHM CCN(CC)c1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000822595398 1320101659 /nfs/dbraw/zinc/10/16/59/1320101659.db2.gz DFBGBGCFFIIUAX-UHFFFAOYSA-N -1 3 330.403 3.236 20 10 EGCDHM Cc1cc([O-])c(CN(C)CC(=O)NCc2cccs2)cc1Cl ZINC000824808945 1320286944 /nfs/dbraw/zinc/28/69/44/1320286944.db2.gz ODMRZRUHPLARFD-UHFFFAOYSA-N -1 3 338.860 3.164 20 10 EGCDHM CC(C)(C)c1nc(CNCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC000839170998 1320884404 /nfs/dbraw/zinc/88/44/04/1320884404.db2.gz SQBKXQRSUKWTBV-UHFFFAOYSA-N -1 3 329.231 3.404 20 10 EGCDHM C[C@@H](NCc1n[nH]cc1Br)c1ccc(Cl)cc1[O-] ZINC000841757004 1321307723 /nfs/dbraw/zinc/30/77/23/1321307723.db2.gz BQBYJXIZCOGJJO-SSDOTTSWSA-N -1 3 330.613 3.382 20 10 EGCDHM COC1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])cc(Br)cc1F ZINC001233029652 1376556626 /nfs/dbraw/zinc/55/66/26/1376556626.db2.gz GPKUGOBKZDRQRZ-FOSCPWQOSA-N -1 3 344.224 3.436 20 10 EGCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCCCCC2)c1 ZINC001233306454 1376607897 /nfs/dbraw/zinc/60/78/97/1376607897.db2.gz QZZOLHDUKDYLDX-UHFFFAOYSA-N -1 3 342.233 3.317 20 10 EGCDHM CO[C@]1(C(F)(F)F)CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001331566466 1389804590 /nfs/dbraw/zinc/80/45/90/1389804590.db2.gz ALQQMOUFDHIQFH-CYBMUJFWSA-N -1 3 325.277 3.214 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCn2cc(C(F)(F)F)nc2C1 ZINC001203657681 1370205017 /nfs/dbraw/zinc/20/50/17/1370205017.db2.gz MDUAXSSLCVREJX-UHFFFAOYSA-N -1 3 331.725 3.277 20 10 EGCDHM CCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c2ccccc21 ZINC001116811131 1370979139 /nfs/dbraw/zinc/97/91/39/1370979139.db2.gz BTJHSPXTCKFLIA-UHFFFAOYSA-N -1 3 343.383 3.156 20 10 EGCDHM COc1cc(Cl)c(-c2noc(-c3cccc(O)c3[O-])n2)cc1OC ZINC001215145981 1373177947 /nfs/dbraw/zinc/17/79/47/1373177947.db2.gz VJYHKESKZMVRCZ-UHFFFAOYSA-N -1 3 348.742 3.485 20 10 EGCDHM Cc1cc([O-])c(CN2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)cc1Cl ZINC001231867571 1376329622 /nfs/dbraw/zinc/32/96/22/1376329622.db2.gz MQNKONBNWWUFDR-STQMWFEESA-N -1 3 341.732 3.191 20 10 EGCDHM CCOC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2ncn(C)c21 ZINC001231868944 1376330954 /nfs/dbraw/zinc/33/09/54/1376330954.db2.gz ZSNPWURGPFZBQO-AWEZNQCLSA-N -1 3 349.862 3.223 20 10 EGCDHM COc1ccc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)nc1 ZINC001231871619 1376333202 /nfs/dbraw/zinc/33/32/02/1376333202.db2.gz OMCKFMFPSNVTFC-UHFFFAOYSA-N -1 3 347.846 3.080 20 10 EGCDHM COC(=O)c1cccc2c1CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232263175 1376426428 /nfs/dbraw/zinc/42/64/28/1376426428.db2.gz JEEXJBCTFBVSQE-UHFFFAOYSA-N -1 3 347.798 3.096 20 10 EGCDHM COc1cc([O-])c(CN2CCC[C@H]2C(=O)OC(C)(C)C)cc1Cl ZINC001232270257 1376426932 /nfs/dbraw/zinc/42/69/32/1376426932.db2.gz ZPUSTFZMJKIIOR-ZDUSSCGKSA-N -1 3 341.835 3.360 20 10 EGCDHM COc1cc([O-])c(CN2CCO[C@@H](c3ccncc3)C2)cc1Cl ZINC001232269188 1376428049 /nfs/dbraw/zinc/42/80/49/1376428049.db2.gz SNBBIQWCHFXSCL-QGZVFWFLSA-N -1 3 334.803 3.023 20 10 EGCDHM CC(C)OCCN(CCOC(C)C)Cc1ccc(F)c(F)c1[O-] ZINC001233076968 1376563120 /nfs/dbraw/zinc/56/31/20/1376563120.db2.gz AIZWUKPWYVESLQ-UHFFFAOYSA-N -1 3 331.403 3.322 20 10 EGCDHM [O-]c1ccc(F)c(F)c1CN1CCN(CCc2ccccc2)CC1 ZINC001233334510 1376618606 /nfs/dbraw/zinc/61/86/06/1376618606.db2.gz KHNKPSGZBFQWSY-UHFFFAOYSA-N -1 3 332.394 3.031 20 10 EGCDHM [O-]c1ccc(F)c(F)c1CN1CCC(O)(c2ccccc2F)CC1 ZINC001233334730 1376618633 /nfs/dbraw/zinc/61/86/33/1376618633.db2.gz RCKNEMFBACCAIT-UHFFFAOYSA-N -1 3 337.341 3.293 20 10 EGCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CC(F)(F)CC[C@@H]1CO ZINC001233452176 1376649113 /nfs/dbraw/zinc/64/91/13/1376649113.db2.gz MYMNMVXGIGUSMW-LLVKDONJSA-N -1 3 325.277 3.003 20 10 EGCDHM C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1Cc1cccc(F)c1[O-] ZINC001138131341 1377683419 /nfs/dbraw/zinc/68/34/19/1377683419.db2.gz XFUMCNMKNUSQDT-IUODEOHRSA-N -1 3 338.423 3.409 20 10 EGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCc2c(O)cccc2C1 ZINC001139126432 1377834011 /nfs/dbraw/zinc/83/40/11/1377834011.db2.gz GXOYTBDMDFDCIF-UHFFFAOYSA-N -1 3 337.375 3.071 20 10 EGCDHM CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1cc(F)ccc1[O-] ZINC001140055061 1377996752 /nfs/dbraw/zinc/99/67/52/1377996752.db2.gz GHXZWQJSTVRCAJ-UHFFFAOYSA-N -1 3 347.386 3.105 20 10 EGCDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN1Cc1ccc(Cl)cc1[O-] ZINC001140464131 1378067048 /nfs/dbraw/zinc/06/70/48/1378067048.db2.gz CUBYIIZPDKZVJA-CQSZACIVSA-N -1 3 326.824 3.444 20 10 EGCDHM CC(C)(C)OC(=O)C[C@@H]1CCCN1Cc1c([O-])cc(F)cc1F ZINC001140584043 1378090517 /nfs/dbraw/zinc/09/05/17/1378090517.db2.gz DQGBRBVAKUVWHZ-LBPRGKRZSA-N -1 3 327.371 3.367 20 10 EGCDHM CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)c([O-])c(F)c1 ZINC001140990211 1378201611 /nfs/dbraw/zinc/20/16/11/1378201611.db2.gz PPUJSXHXPGGKNF-UHFFFAOYSA-N -1 3 348.393 3.139 20 10 EGCDHM C[C@H]1CC[C@@H](CO)N1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367599 1378312212 /nfs/dbraw/zinc/31/22/12/1378312212.db2.gz HNPCTQGEGSPEBM-KWQFWETISA-N -1 3 334.641 3.153 20 10 EGCDHM [O-]c1cc(F)c(F)cc1CN1CCC(O)(c2ccc(F)cc2)CC1 ZINC001142520049 1378452495 /nfs/dbraw/zinc/45/24/95/1378452495.db2.gz ANGIBYZWKFQPBU-UHFFFAOYSA-N -1 3 337.341 3.293 20 10 EGCDHM Cc1cccnc1O[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530333 1378454531 /nfs/dbraw/zinc/45/45/31/1378454531.db2.gz DTWNFDDKJDZOAM-CQSZACIVSA-N -1 3 334.366 3.417 20 10 EGCDHM O=C(Cc1cccc(O)c1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142854000 1378496891 /nfs/dbraw/zinc/49/68/91/1378496891.db2.gz HPKXUYXWFPSTPT-UHFFFAOYSA-N -1 3 342.782 3.158 20 10 EGCDHM COC1C[C@H]2CC[C@@H](C1)N2Cc1cc(Br)c(F)cc1[O-] ZINC001144308421 1378714896 /nfs/dbraw/zinc/71/48/96/1378714896.db2.gz YJUBNMHRLMIYHS-FOSCPWQOSA-N -1 3 344.224 3.436 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc[nH]c1=S ZINC001147679139 1379059184 /nfs/dbraw/zinc/05/91/84/1379059184.db2.gz BCPBPHKQRARWHY-UHFFFAOYSA-N -1 3 345.811 3.208 20 10 EGCDHM O=C(Nc1ccc(OC[C@@H]2CCCO2)c(F)c1)c1cccc(O)c1[O-] ZINC001148218496 1379134777 /nfs/dbraw/zinc/13/47/77/1379134777.db2.gz BWNUCHZUNRQMMW-LBPRGKRZSA-N -1 3 347.342 3.047 20 10 EGCDHM O=C(NC/C(=C/F)CCc1ccc(F)cc1)c1cccc(O)c1[O-] ZINC001148223944 1379135278 /nfs/dbraw/zinc/13/52/78/1379135278.db2.gz ANYPDQRETHATBC-JLHYYAGUSA-N -1 3 333.334 3.453 20 10 EGCDHM O=C(NC1c2ccccc2Oc2ccccc21)c1cc(O)c([O-])c(O)c1 ZINC001148590178 1379218142 /nfs/dbraw/zinc/21/81/42/1379218142.db2.gz DLAVDCCZYQROOK-UHFFFAOYSA-N -1 3 349.342 3.429 20 10 EGCDHM CNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586705 1379218180 /nfs/dbraw/zinc/21/81/80/1379218180.db2.gz UYFOGZMDDWWVOG-UHFFFAOYSA-N -1 3 342.273 3.116 20 10 EGCDHM [O-]c1c(CNc2c[nH]cc3ncnc2-3)cc(Cl)c2cccnc12 ZINC001168524230 1383929718 /nfs/dbraw/zinc/92/97/18/1383929718.db2.gz XZHALHZPZNPJPU-UHFFFAOYSA-N -1 3 325.759 3.477 20 10 EGCDHM Cc1nc(C(N)=O)ccc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522757 1383929776 /nfs/dbraw/zinc/92/97/76/1383929776.db2.gz IYVYJECMKSUAFW-UHFFFAOYSA-N -1 3 342.786 3.008 20 10 EGCDHM [O-]c1c(CNc2cncc3nnoc32)cc(Cl)c2cccnc12 ZINC001168525549 1383930760 /nfs/dbraw/zinc/93/07/60/1383930760.db2.gz FVUIIBSVGTXZCY-UHFFFAOYSA-N -1 3 327.731 3.137 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000843039636 955619839 /nfs/dbraw/zinc/61/98/39/955619839.db2.gz DEKSYBLIVFITAW-TVQRCGJNSA-N -1 3 342.233 3.006 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000843039636 955619850 /nfs/dbraw/zinc/61/98/50/955619850.db2.gz DEKSYBLIVFITAW-TVQRCGJNSA-N -1 3 342.233 3.006 20 10 EGCDHM O=C([O-])[C@@H](Cc1cc2ccccc2o1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601657432 1126223082 /nfs/dbraw/zinc/22/30/82/1126223082.db2.gz LXGXTBITDZNNQA-OAHLLOKOSA-N -1 3 329.327 3.063 20 10 EGCDHM Cc1nn(C)c(Cl)c1CNCc1cccc(Br)c1[O-] ZINC000278325643 455817642 /nfs/dbraw/zinc/81/76/42/455817642.db2.gz GOHXAHOJBYWCCC-UHFFFAOYSA-N -1 3 344.640 3.140 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])c1nc(C)ns1 ZINC000301988767 456265264 /nfs/dbraw/zinc/26/52/64/456265264.db2.gz WJVNPCVUUKQYRD-UHFFFAOYSA-N -1 3 328.235 3.341 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cc(C)on1 ZINC000075416534 453891622 /nfs/dbraw/zinc/89/16/22/453891622.db2.gz DXTSMDPKPNZTIO-UHFFFAOYSA-N -1 3 339.189 3.113 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000091080403 454378404 /nfs/dbraw/zinc/37/84/04/454378404.db2.gz PAQDKSFJNHUKPI-INIZCTEOSA-N -1 3 331.391 3.411 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000191285596 455474968 /nfs/dbraw/zinc/47/49/68/455474968.db2.gz QGYILOWXMKPMHL-ZDUSSCGKSA-N -1 3 343.826 3.345 20 10 EGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(OC)c1[O-] ZINC000154200052 454874228 /nfs/dbraw/zinc/87/42/28/454874228.db2.gz VHVDFUIKUHGSRO-UHFFFAOYSA-N -1 3 328.412 3.129 20 10 EGCDHM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccccc1[O-] ZINC000179576866 455059840 /nfs/dbraw/zinc/05/98/40/455059840.db2.gz IYTCDMZUMXHZRC-KRWDZBQOSA-N -1 3 340.423 3.312 20 10 EGCDHM Cc1ccc(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)c([O-])c1O ZINC000245607774 455340309 /nfs/dbraw/zinc/34/03/09/455340309.db2.gz NAEBZGKJILUJSK-LPMFXHHGSA-N -1 3 341.407 3.397 20 10 EGCDHM COC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000193276855 455750830 /nfs/dbraw/zinc/75/08/30/455750830.db2.gz XUBCNWMCBHFNOH-HNNXBMFYSA-N -1 3 336.775 3.431 20 10 EGCDHM C[C@H](NCc1nnc2n1CCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000278251621 455799665 /nfs/dbraw/zinc/79/96/65/455799665.db2.gz MPJRVPWYQKAHQK-QMMMGPOBSA-N -1 3 327.215 3.088 20 10 EGCDHM CCN(Cc1cccnc1N)Cc1cc(Br)ccc1[O-] ZINC000294841654 455830194 /nfs/dbraw/zinc/83/01/94/455830194.db2.gz BMQUDOFXMWMMCQ-UHFFFAOYSA-N -1 3 336.233 3.154 20 10 EGCDHM C[C@H](NCc1ccc2c(n1)CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000278376215 455834410 /nfs/dbraw/zinc/83/44/10/455834410.db2.gz DTLLMMNYLFIIIE-LBPRGKRZSA-N -1 3 327.384 3.425 20 10 EGCDHM COc1c([O-])c(CN2CC[C@@H](C(F)(F)F)C2(C)C)ccc1[N+](=O)[O-] ZINC000278397834 455835233 /nfs/dbraw/zinc/83/52/33/455835233.db2.gz NQOUKVFESVVSGU-LLVKDONJSA-N -1 3 348.321 3.472 20 10 EGCDHM COc1ccc(C)cc1[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278575068 455840497 /nfs/dbraw/zinc/84/04/97/455840497.db2.gz DJFZTLGNDITTOX-GFCCVEGCSA-N -1 3 346.383 3.477 20 10 EGCDHM CCCCN(Cc1ccccc1[O-])[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000295374639 455848094 /nfs/dbraw/zinc/84/80/94/455848094.db2.gz POPKZBOJTIYYIH-NSHDSACASA-N -1 3 335.839 3.176 20 10 EGCDHM COc1c([O-])c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000278862910 455850740 /nfs/dbraw/zinc/85/07/40/455850740.db2.gz MAXRHKLPVYAOLN-JTQLQIEISA-N -1 3 347.327 3.068 20 10 EGCDHM Cc1ccnc(-c2n[nH]c([C@H](C)N[C@@H](C)c3ccc(F)cc3[O-])n2)c1 ZINC000279163089 455859266 /nfs/dbraw/zinc/85/92/66/455859266.db2.gz BQCUNJGRUJCLDQ-RYUDHWBXSA-N -1 3 341.390 3.432 20 10 EGCDHM C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])C(=O)NCc1ccccc1 ZINC000187671665 455937465 /nfs/dbraw/zinc/93/74/65/455937465.db2.gz SIROLXRHXLKLPK-NWDGAFQWSA-N -1 3 334.366 3.026 20 10 EGCDHM C[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187762774 455949671 /nfs/dbraw/zinc/94/96/71/455949671.db2.gz ICJDTHDKYZKVEE-IAQYHMDHSA-N -1 3 332.350 3.127 20 10 EGCDHM Cc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1[O-] ZINC000272497049 455970789 /nfs/dbraw/zinc/97/07/89/455970789.db2.gz KZRJKRCYDMURBW-QGZVFWFLSA-N -1 3 341.407 3.228 20 10 EGCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000280436319 455971265 /nfs/dbraw/zinc/97/12/65/455971265.db2.gz JZWJXGMMSAOBOF-YOEHRIQHSA-N -1 3 345.370 3.229 20 10 EGCDHM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000188324528 456043930 /nfs/dbraw/zinc/04/39/30/456043930.db2.gz SRJOBNQJSVETLX-UHFFFAOYSA-N -1 3 342.395 3.044 20 10 EGCDHM CN(CCn1cc(Br)cn1)Cc1cccc(Cl)c1[O-] ZINC000290057083 456228240 /nfs/dbraw/zinc/22/82/40/456228240.db2.gz FAEWSZXVXLBGGY-UHFFFAOYSA-N -1 3 344.640 3.137 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2CCc3c2cccc3O)c1 ZINC000273363312 456225068 /nfs/dbraw/zinc/22/50/68/456225068.db2.gz AVODXYDNENQYSR-BDJLRTHQSA-N -1 3 327.380 3.223 20 10 EGCDHM COC[C@@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccc(C)o1 ZINC000273363281 456226109 /nfs/dbraw/zinc/22/61/09/456226109.db2.gz AUKHZVONXQARLX-IUODEOHRSA-N -1 3 333.384 3.119 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(OC)c(OC)c2)c1 ZINC000273422052 456228101 /nfs/dbraw/zinc/22/81/01/456228101.db2.gz SJTDEBLSRHNEST-GFCCVEGCSA-N -1 3 345.395 3.047 20 10 EGCDHM C[C@H](NCc1ccc(N2CCCC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273426608 456229655 /nfs/dbraw/zinc/22/96/55/456229655.db2.gz UHWUVNNVXXFJJY-ZDUSSCGKSA-N -1 3 342.399 3.146 20 10 EGCDHM O=C([C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1)N1CCCC1 ZINC000290659691 456397941 /nfs/dbraw/zinc/39/79/41/456397941.db2.gz ZNXWDKOJYAMYSW-NSHDSACASA-N -1 3 343.254 3.143 20 10 EGCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000298394148 456444554 /nfs/dbraw/zinc/44/45/54/456444554.db2.gz UPIZCXFBQHTHPQ-UHFFFAOYSA-N -1 3 328.412 3.215 20 10 EGCDHM [O-]c1ccc(-c2ccccc2)cc1CN1CCOC[C@]12CCOC2 ZINC000282469566 456523478 /nfs/dbraw/zinc/52/34/78/456523478.db2.gz WDZMSFAONREFKZ-HXUWFJFHSA-N -1 3 325.408 3.051 20 10 EGCDHM Cc1cc(Br)cc([C@H](C)N[C@H](C)c2ncnn2C)c1[O-] ZINC000276628517 456535892 /nfs/dbraw/zinc/53/58/92/456535892.db2.gz NIKIRZMJPOUJSU-VHSXEESVSA-N -1 3 339.237 3.003 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cn(C)nc2C)c1[O-] ZINC000370404582 457640126 /nfs/dbraw/zinc/64/01/26/457640126.db2.gz GAVFTDSGDYIZRO-KRWDZBQOSA-N -1 3 331.391 3.113 20 10 EGCDHM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2cccc(O)c2[O-])c1 ZINC000369139362 458099168 /nfs/dbraw/zinc/09/91/68/458099168.db2.gz JDNNBARMMVUZJV-WBMJQRKESA-N -1 3 327.380 3.330 20 10 EGCDHM CS(=O)(=O)c1cc(CN(Cc2ccccc2[O-])C2CCCC2)co1 ZINC000528384833 459804535 /nfs/dbraw/zinc/80/45/35/459804535.db2.gz XPQPVQSBPMXKNQ-UHFFFAOYSA-N -1 3 349.452 3.334 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H]2Nc3cc(Cl)ccc3C(=O)N2C)c1 ZINC000726796830 574572036 /nfs/dbraw/zinc/57/20/36/574572036.db2.gz IWPNHNAKRBOCPK-HNNXBMFYSA-N -1 3 346.770 3.029 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000731867260 575216249 /nfs/dbraw/zinc/21/62/49/575216249.db2.gz PMZTWVFKRYARRX-ZDUSSCGKSA-N -1 3 331.393 3.202 20 10 EGCDHM O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cc([O-])cs1 ZINC000732275043 575252270 /nfs/dbraw/zinc/25/22/70/575252270.db2.gz XIDWPLVEPIVJAW-UHFFFAOYSA-N -1 3 330.409 3.378 20 10 EGCDHM O=C(NCc1ccc(Br)c(F)c1)c1cc([O-])cs1 ZINC000732279752 575254113 /nfs/dbraw/zinc/25/41/13/575254113.db2.gz YHIHBHFFVFCSOM-UHFFFAOYSA-N -1 3 330.178 3.285 20 10 EGCDHM CC(C)[C@H](NC(=O)c1cc([O-])cs1)c1nc(-c2cccnc2)no1 ZINC000732282831 575254557 /nfs/dbraw/zinc/25/45/57/575254557.db2.gz VOYVDQWDUDXWJF-ZDUSSCGKSA-N -1 3 344.396 3.026 20 10 EGCDHM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732834180 575291229 /nfs/dbraw/zinc/29/12/29/575291229.db2.gz OEIBIIKECLKFJJ-UHFFFAOYSA-N -1 3 339.438 3.029 20 10 EGCDHM O=C(NCCNCc1c([O-])cccc1Cl)c1ccccc1Cl ZINC000733329140 575328459 /nfs/dbraw/zinc/32/84/59/575328459.db2.gz NVLNFIAUZFBXCJ-UHFFFAOYSA-N -1 3 339.222 3.219 20 10 EGCDHM CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1cc([O-])cs1 ZINC000733497585 575352011 /nfs/dbraw/zinc/35/20/11/575352011.db2.gz ZGYCNGGBRIUGDP-SNVBAGLBSA-N -1 3 327.402 3.010 20 10 EGCDHM CC1CCC(N(C(=O)COC(=O)c2cc([O-])cs2)C2CC2)CC1 ZINC000733497015 575352096 /nfs/dbraw/zinc/35/20/96/575352096.db2.gz POBGSZFVUWBYPZ-UHFFFAOYSA-N -1 3 337.441 3.180 20 10 EGCDHM CC1CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000736279000 575927289 /nfs/dbraw/zinc/92/72/89/575927289.db2.gz IUUXGOFYFNBZJX-UHFFFAOYSA-N -1 3 349.442 3.110 20 10 EGCDHM CC1CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000736279000 575927294 /nfs/dbraw/zinc/92/72/94/575927294.db2.gz IUUXGOFYFNBZJX-UHFFFAOYSA-N -1 3 349.442 3.110 20 10 EGCDHM O=C(COC(=O)c1cc([O-])cs1)c1cccc(OC(F)F)c1 ZINC000738649422 576346420 /nfs/dbraw/zinc/34/64/20/576346420.db2.gz IUBCWKXHKQWZII-UHFFFAOYSA-N -1 3 328.292 3.095 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCc2ccccc2[C@@H]1CO ZINC000093455169 1292923563 /nfs/dbraw/zinc/92/35/63/1292923563.db2.gz IMZKVEKZTTYIDL-INIZCTEOSA-N -1 3 348.240 3.246 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCN(c3cccs3)CC2)c1[O-] ZINC000121494740 1293374354 /nfs/dbraw/zinc/37/43/54/1293374354.db2.gz RYXIDOPNQWUOQG-UHFFFAOYSA-N -1 3 334.416 3.118 20 10 EGCDHM C[C@@H](c1cccnc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000126344274 1293532311 /nfs/dbraw/zinc/53/23/11/1293532311.db2.gz AULJAIKNXDBPGH-AWEZNQCLSA-N -1 3 331.847 3.319 20 10 EGCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])ccc1Br ZINC000126512865 1293536262 /nfs/dbraw/zinc/53/62/62/1293536262.db2.gz GUOFWIOMNOEVBG-UHFFFAOYSA-N -1 3 338.157 3.121 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3cccc(F)c3)C2)c1[O-] ZINC000175631448 1294565753 /nfs/dbraw/zinc/56/57/53/1294565753.db2.gz CLXHCMXGIBCVGY-SFHVURJKSA-N -1 3 347.361 3.447 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c([O-])c1O ZINC000177666512 1294685280 /nfs/dbraw/zinc/68/52/80/1294685280.db2.gz FQQXDVUGRBTHBZ-UHFFFAOYSA-N -1 3 326.352 3.007 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)c([O-])c1O ZINC000182516228 1295055075 /nfs/dbraw/zinc/05/50/75/1295055075.db2.gz VKRHMHCJFJEWGY-UHFFFAOYSA-N -1 3 327.258 3.399 20 10 EGCDHM Cn1ccnc1Sc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000188122343 1295437505 /nfs/dbraw/zinc/43/75/05/1295437505.db2.gz STZHQBWYQNKARM-UHFFFAOYSA-N -1 3 341.392 3.235 20 10 EGCDHM COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])c1[O-] ZINC000319168456 1297153265 /nfs/dbraw/zinc/15/32/65/1297153265.db2.gz MRZIECJERTZIPB-ZDUSSCGKSA-N -1 3 327.808 3.274 20 10 EGCDHM COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c1[O-] ZINC000319168456 1297153267 /nfs/dbraw/zinc/15/32/67/1297153267.db2.gz MRZIECJERTZIPB-ZDUSSCGKSA-N -1 3 327.808 3.274 20 10 EGCDHM CCOc1ccc2nc(NC(=O)c3cccc(O)c3[O-])sc2c1 ZINC000391507448 1297642828 /nfs/dbraw/zinc/64/28/28/1297642828.db2.gz JTDPFNOOXBINKN-UHFFFAOYSA-N -1 3 330.365 3.359 20 10 EGCDHM CCc1nc(C)c(CNCc2cc(Br)cc(F)c2[O-])o1 ZINC000715779568 1298285504 /nfs/dbraw/zinc/28/55/04/1298285504.db2.gz QVXAUIRBVHRJOH-UHFFFAOYSA-N -1 3 343.196 3.442 20 10 EGCDHM Cc1cccc2c1C(=O)N[C@@H](c1c([O-])cccc1Br)N2 ZINC000877848279 1299607402 /nfs/dbraw/zinc/60/74/02/1299607402.db2.gz NYOUUTGMQZVOLY-AWEZNQCLSA-N -1 3 333.185 3.317 20 10 EGCDHM COc1ccc(OC)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756371374 1300478027 /nfs/dbraw/zinc/47/80/27/1300478027.db2.gz ZGDNNQGKSURCQT-LLVKDONJSA-N -1 3 332.356 3.168 20 10 EGCDHM COC(=O)CN(CCCOC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000756859984 1300580366 /nfs/dbraw/zinc/58/03/66/1300580366.db2.gz HMBPJKGHWNXLLJ-UHFFFAOYSA-N -1 3 343.851 3.226 20 10 EGCDHM Cc1ccc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)c([O-])c1O ZINC000781000904 1304758894 /nfs/dbraw/zinc/75/88/94/1304758894.db2.gz KPSWNXVXGZALKY-FNORWQNLSA-N -1 3 343.364 3.273 20 10 EGCDHM C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894018973 1306177282 /nfs/dbraw/zinc/17/72/82/1306177282.db2.gz DDCSBFNIXMSRPL-SNVBAGLBSA-N -1 3 330.375 3.015 20 10 EGCDHM CCN(CC)c1ccc(CN(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000790483201 1306336194 /nfs/dbraw/zinc/33/61/94/1306336194.db2.gz DEFZHLZBUIXIOA-UHFFFAOYSA-N -1 3 328.412 3.216 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000790531979 1306346410 /nfs/dbraw/zinc/34/64/10/1306346410.db2.gz KFRYKERATLIYKD-CYBMUJFWSA-N -1 3 347.798 3.435 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@@H]1CCO ZINC000894500711 1308925801 /nfs/dbraw/zinc/92/58/01/1308925801.db2.gz PMAFJJRGMOUKOZ-LLVKDONJSA-N -1 3 334.641 3.155 20 10 EGCDHM CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000790923241 1308886956 /nfs/dbraw/zinc/88/69/56/1308886956.db2.gz UENPVSKYRVNCKK-MGPLVRAMSA-N -1 3 335.787 3.257 20 10 EGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])cnc1N1CCCC[C@@H]1C ZINC000790920795 1308887490 /nfs/dbraw/zinc/88/74/90/1308887490.db2.gz DLYAZAFHDCEETH-ZDUSSCGKSA-N -1 3 341.411 3.432 20 10 EGCDHM O=C(NCC(F)(F)c1ccc(Cl)cc1)c1cccc(O)c1[O-] ZINC000804680672 1317273095 /nfs/dbraw/zinc/27/30/95/1317273095.db2.gz SHSFNUDCRVHIJC-UHFFFAOYSA-N -1 3 327.714 3.273 20 10 EGCDHM CCN(C(=O)CN[C@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000903196620 1317670994 /nfs/dbraw/zinc/67/09/94/1317670994.db2.gz BVVXZJCDOAGZLT-GFCCVEGCSA-N -1 3 334.366 3.374 20 10 EGCDHM CCOC(=O)CC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816487907 1319164455 /nfs/dbraw/zinc/16/44/55/1319164455.db2.gz BTUXOERBEUNGCM-UHFFFAOYSA-N -1 3 329.799 3.350 20 10 EGCDHM COc1ccc(N2CCCN(C(=O)c3c(C)cccc3[O-])CC2)cc1 ZINC000858665743 1328822968 /nfs/dbraw/zinc/82/29/68/1328822968.db2.gz MPBWDALQAJGERD-UHFFFAOYSA-N -1 3 340.423 3.062 20 10 EGCDHM CCn1nc(C)c(CN[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000818347452 1319534160 /nfs/dbraw/zinc/53/41/60/1319534160.db2.gz ZYMCPVFIANXZDL-QMMMGPOBSA-N -1 3 329.231 3.470 20 10 EGCDHM CN(C)c1ccc(CN(C(=O)Cc2ccc([O-])c(F)c2)C2CC2)cc1 ZINC000822415699 1320080522 /nfs/dbraw/zinc/08/05/22/1320080522.db2.gz FGEJPDAQBJQKDG-UHFFFAOYSA-N -1 3 342.414 3.331 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCc2ncsc2C1 ZINC000825634527 1320351719 /nfs/dbraw/zinc/35/17/19/1320351719.db2.gz OADKBWCNAGXEMY-UHFFFAOYSA-N -1 3 325.231 3.170 20 10 EGCDHM Cc1cc([O-])c(CN2CCCC[C@H]2C(=O)NCC(F)F)cc1Cl ZINC000826083952 1320382634 /nfs/dbraw/zinc/38/26/34/1320382634.db2.gz QWDYJEPQVVJHDV-ZDUSSCGKSA-N -1 3 346.805 3.090 20 10 EGCDHM CC[C@H](NCc1ccccc1S(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000840865681 1321165192 /nfs/dbraw/zinc/16/51/92/1321165192.db2.gz HNKFKWCFAHZBAA-HNNXBMFYSA-N -1 3 337.416 3.176 20 10 EGCDHM CCc1csc(CC2CCN(C(=O)c3cccc(O)c3[O-])CC2)n1 ZINC000848300095 1321949176 /nfs/dbraw/zinc/94/91/76/1321949176.db2.gz WHAMRFOTZCSNFT-UHFFFAOYSA-N -1 3 346.452 3.212 20 10 EGCDHM COC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(OC)c1 ZINC000850515448 1322259906 /nfs/dbraw/zinc/25/99/06/1322259906.db2.gz XZCJZPUNIRLDJF-PXAZEXFGSA-N -1 3 346.383 3.347 20 10 EGCDHM [O-]c1cccc(Br)c1CN(CCO)Cc1ccccc1 ZINC000862211285 1329465948 /nfs/dbraw/zinc/46/59/48/1329465948.db2.gz GKIDUEDAPIBWHU-UHFFFAOYSA-N -1 3 336.229 3.149 20 10 EGCDHM CC[C@@H](NCc1c(Br)cnn1C)c1ccc(F)cc1[O-] ZINC000866431879 1330111185 /nfs/dbraw/zinc/11/11/85/1330111185.db2.gz FKCRWLDPABGBHM-GFCCVEGCSA-N -1 3 342.212 3.268 20 10 EGCDHM CCc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])no1 ZINC001190009313 1367150402 /nfs/dbraw/zinc/15/04/02/1367150402.db2.gz YDZDRHUVLHOZIH-UHFFFAOYSA-N -1 3 331.759 3.074 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CC2)OCc2ccccc23)c1 ZINC001231565321 1376264830 /nfs/dbraw/zinc/26/48/30/1376264830.db2.gz RYCGXWHFMVWVNQ-UHFFFAOYSA-N -1 3 339.391 3.112 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC(c3cccc(O)c3)CC2)c1 ZINC001231566400 1376267599 /nfs/dbraw/zinc/26/75/99/1376267599.db2.gz IKAHNRCAZSEEMS-UHFFFAOYSA-N -1 3 327.380 3.176 20 10 EGCDHM COc1cccc(OC2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC001231913172 1376349437 /nfs/dbraw/zinc/34/94/37/1376349437.db2.gz GPYDGXBYGLWZBZ-UHFFFAOYSA-N -1 3 348.830 3.493 20 10 EGCDHM CC(C)(C)OC(=O)C[C@@H]1CCCN1Cc1c([O-])ccc(F)c1F ZINC001233336078 1376619359 /nfs/dbraw/zinc/61/93/59/1376619359.db2.gz XTVHRYYJQWSIFK-NSHDSACASA-N -1 3 327.371 3.367 20 10 EGCDHM CCO[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])[C@@H]2CCCO[C@H]12 ZINC001233416652 1376641631 /nfs/dbraw/zinc/64/16/31/1376641631.db2.gz QOLHKZVMTKSYHP-FMKPAKJESA-N -1 3 345.361 3.179 20 10 EGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCc2sccc2C1 ZINC001139124871 1377833900 /nfs/dbraw/zinc/83/39/00/1377833900.db2.gz GOZORUKVSRJTCF-UHFFFAOYSA-N -1 3 327.405 3.427 20 10 EGCDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H]1F ZINC001140338034 1378048739 /nfs/dbraw/zinc/04/87/39/1378048739.db2.gz RYZDKYUODWLRLS-STQMWFEESA-N -1 3 344.814 3.093 20 10 EGCDHM CC(C)(C)OC(=O)NCC1(C)CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140464249 1378066831 /nfs/dbraw/zinc/06/68/31/1378066831.db2.gz IHWWAVQGYJTRRW-UHFFFAOYSA-N -1 3 340.851 3.392 20 10 EGCDHM CCOC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2nn(CC)cc21 ZINC001140466605 1378069026 /nfs/dbraw/zinc/06/90/26/1378069026.db2.gz IERLLCTYUHIWEO-AWEZNQCLSA-N -1 3 349.862 3.398 20 10 EGCDHM Cc1cc(F)ccc1N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142526889 1378453460 /nfs/dbraw/zinc/45/34/60/1378453460.db2.gz ABSIHFFBIOOSRM-UHFFFAOYSA-N -1 3 336.357 3.440 20 10 EGCDHM O=C(Nc1cc(F)c(OCC2CC2)c(F)c1)c1cccc(O)c1[O-] ZINC001148218898 1379134763 /nfs/dbraw/zinc/13/47/63/1379134763.db2.gz MYDFATFMCDUXEZ-UHFFFAOYSA-N -1 3 335.306 3.417 20 10 EGCDHM Cc1ccccc1CC(C)(C)CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590179 1379218767 /nfs/dbraw/zinc/21/87/67/1379218767.db2.gz DLMPVJMIESYLAN-UHFFFAOYSA-N -1 3 329.396 3.111 20 10 EGCDHM COC(=O)c1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001157723999 1381015100 /nfs/dbraw/zinc/01/51/00/1381015100.db2.gz IMMRXZJTKDRIQE-UHFFFAOYSA-N -1 3 343.770 3.388 20 10 EGCDHM Cc1nc(NCc2cc(Cl)c3cccnc3c2[O-])nc2nc[nH]c21 ZINC001168528643 1383930745 /nfs/dbraw/zinc/93/07/45/1383930745.db2.gz XQEMNECJCWQKKA-UHFFFAOYSA-N -1 3 340.774 3.132 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCn2c(nnc2C2CCCC2)C1 ZINC001320506562 1386632083 /nfs/dbraw/zinc/63/20/83/1386632083.db2.gz JBQRAERFZCALBY-UHFFFAOYSA-N -1 3 332.835 3.311 20 10 EGCDHM Cc1cc(Cl)cc(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c1[O-] ZINC000826267340 1430095699 /nfs/dbraw/zinc/09/56/99/1430095699.db2.gz AQDYTAIWSKVEQA-UHFFFAOYSA-N -1 3 343.818 3.166 20 10 EGCDHM Cc1cc(Cl)cc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c1[O-] ZINC000826267340 1430095705 /nfs/dbraw/zinc/09/57/05/1430095705.db2.gz AQDYTAIWSKVEQA-UHFFFAOYSA-N -1 3 343.818 3.166 20 10 EGCDHM C[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC000859816143 955914165 /nfs/dbraw/zinc/91/41/65/955914165.db2.gz XXOSWBAAONDWDZ-SMDDNHRTSA-N -1 3 344.377 3.314 20 10 EGCDHM C[C@@H]([NH2+][C@@H](C)COc1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001592783512 979423913 /nfs/dbraw/zinc/42/39/13/979423913.db2.gz YGOLYQQYSINSNW-NWDGAFQWSA-N -1 3 333.359 3.348 20 10 EGCDHM C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592783514 979423993 /nfs/dbraw/zinc/42/39/93/979423993.db2.gz YGOLYQQYSINSNW-VXGBXAGGSA-N -1 3 333.359 3.348 20 10 EGCDHM CCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2cc(C)cc(C)c2)c([O-])c1 ZINC001597101470 986718471 /nfs/dbraw/zinc/71/84/71/986718471.db2.gz VKPBIBWDWVSYPI-SFHVURJKSA-N -1 3 329.396 3.323 20 10 EGCDHM COc1ccc(N2CCCN(Cc3cc(C(=O)[O-])oc3C)CC2)cc1 ZINC001599585133 993602690 /nfs/dbraw/zinc/60/26/90/993602690.db2.gz LLTFZBAABPSNAB-UHFFFAOYSA-N -1 3 344.411 3.007 20 10 EGCDHM C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593262873 994558430 /nfs/dbraw/zinc/55/84/30/994558430.db2.gz YYPKAPFAPANMPW-BFUOFWGJSA-N -1 3 329.396 3.039 20 10 EGCDHM C[C@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594380136 999435442 /nfs/dbraw/zinc/43/54/42/999435442.db2.gz HGWHONPWOJYSQA-KBPBESRZSA-N -1 3 334.460 3.252 20 10 EGCDHM O=[N+]([O-])c1ccccc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976217 454190645 /nfs/dbraw/zinc/19/06/45/454190645.db2.gz CCMNPSLCSOKHSI-QGZVFWFLSA-N -1 3 342.395 3.482 20 10 EGCDHM Cc1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c([O-])c1O ZINC000182125950 455441191 /nfs/dbraw/zinc/44/11/91/455441191.db2.gz VJHOJUFZCDMOGL-UHFFFAOYSA-N -1 3 342.395 3.187 20 10 EGCDHM CCOC[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093419078 454715133 /nfs/dbraw/zinc/71/51/33/454715133.db2.gz XLPVXTIYHGTRTL-NSHDSACASA-N -1 3 328.796 3.202 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)c([O-])c1O ZINC000177686804 454892432 /nfs/dbraw/zinc/89/24/32/454892432.db2.gz HTIGNWGPKVKTFD-QGZVFWFLSA-N -1 3 340.423 3.450 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179927222 455099926 /nfs/dbraw/zinc/09/99/26/455099926.db2.gz GFAZDSOUADFTTO-GFCCVEGCSA-N -1 3 340.851 3.392 20 10 EGCDHM Cc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)c([O-])c1O ZINC000182309325 455486228 /nfs/dbraw/zinc/48/62/28/455486228.db2.gz WTLGUDWDENAWID-UHFFFAOYSA-N -1 3 330.359 3.398 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)c([O-])c1O ZINC000182531718 455534711 /nfs/dbraw/zinc/53/47/11/455534711.db2.gz CDJZDXYYMVXEAL-CJNGLKHVSA-N -1 3 327.380 3.008 20 10 EGCDHM CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186030469 455680099 /nfs/dbraw/zinc/68/00/99/455680099.db2.gz ZYSPWJOYDMNNBK-DTWKUNHWSA-N -1 3 340.272 3.173 20 10 EGCDHM CC(=O)N(Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1)C(C)C ZINC000193075062 455740075 /nfs/dbraw/zinc/74/00/75/455740075.db2.gz SIXLBKQDXQGGTB-UHFFFAOYSA-N -1 3 342.395 3.107 20 10 EGCDHM Cc1ccc(OC2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000193075008 455740733 /nfs/dbraw/zinc/74/07/33/455740733.db2.gz DAKKCEAEKAGXBD-UHFFFAOYSA-N -1 3 327.380 3.090 20 10 EGCDHM CCCOc1ccc(CN2CC(C)(C)[C@H]2c2nccn2C)c([O-])c1 ZINC000294723733 455824944 /nfs/dbraw/zinc/82/49/44/455824944.db2.gz FQSNNGYVZUFHLM-QGZVFWFLSA-N -1 3 329.444 3.498 20 10 EGCDHM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](CO)c1ccccc1 ZINC000295132797 455839592 /nfs/dbraw/zinc/83/95/92/455839592.db2.gz YIQLWOUWIMLOOF-OAHLLOKOSA-N -1 3 336.775 3.119 20 10 EGCDHM COc1ccccc1C(C)(C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278929772 455854162 /nfs/dbraw/zinc/85/41/62/455854162.db2.gz VYWJXCHYPJHJDD-UHFFFAOYSA-N -1 3 346.383 3.343 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)CC1CCOCC1 ZINC000187091039 455869941 /nfs/dbraw/zinc/86/99/41/455869941.db2.gz LZWHBBSIXXQWQI-UHFFFAOYSA-N -1 3 341.407 3.167 20 10 EGCDHM COc1ncc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000296359507 455917308 /nfs/dbraw/zinc/91/73/08/455917308.db2.gz IROWUXMWEJSYCZ-VIFPVBQESA-N -1 3 337.763 3.208 20 10 EGCDHM CC(C)c1nnc(CN[C@@H](C)c2ccc(Br)cc2[O-])[nH]1 ZINC000296386278 455924184 /nfs/dbraw/zinc/92/41/84/455924184.db2.gz JVLGLWNCEARLHW-VIFPVBQESA-N -1 3 339.237 3.247 20 10 EGCDHM C[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187762810 455950005 /nfs/dbraw/zinc/95/00/05/455950005.db2.gz ICJDTHDKYZKVEE-ABAIWWIYSA-N -1 3 332.350 3.127 20 10 EGCDHM O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000296757626 456030138 /nfs/dbraw/zinc/03/01/38/456030138.db2.gz FAXNRLGYAXCIPT-GOSISDBHSA-N -1 3 341.407 3.272 20 10 EGCDHM O=C([O-])c1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000296757626 456030139 /nfs/dbraw/zinc/03/01/39/456030139.db2.gz FAXNRLGYAXCIPT-GOSISDBHSA-N -1 3 341.407 3.272 20 10 EGCDHM CN(C)c1ncc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000271031921 456105189 /nfs/dbraw/zinc/10/51/89/456105189.db2.gz YWYLQNAEMUONRC-HNNXBMFYSA-N -1 3 347.484 3.096 20 10 EGCDHM COCc1nc(CNCc2cc(Br)ccc2[O-])cs1 ZINC000289972775 456200168 /nfs/dbraw/zinc/20/01/68/456200168.db2.gz ZLWPJYMQNOVQSR-UHFFFAOYSA-N -1 3 343.246 3.047 20 10 EGCDHM COC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccc(C)o1 ZINC000273363284 456226135 /nfs/dbraw/zinc/22/61/35/456226135.db2.gz AUKHZVONXQARLX-WFASDCNBSA-N -1 3 333.384 3.119 20 10 EGCDHM CCC[C@]1(CO)CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000290070183 456231811 /nfs/dbraw/zinc/23/18/11/456231811.db2.gz FTCHIVJKEQLYSP-HNNXBMFYSA-N -1 3 328.250 3.139 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(F)cc(OC)c2)c1 ZINC000273467747 456233359 /nfs/dbraw/zinc/23/33/59/456233359.db2.gz JCLIFDDGBMDUBP-LLVKDONJSA-N -1 3 333.359 3.177 20 10 EGCDHM COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000273610358 456241351 /nfs/dbraw/zinc/24/13/51/456241351.db2.gz VPFCHOFYNZZTKC-SNVBAGLBSA-N -1 3 347.327 3.068 20 10 EGCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])c(OC[C@H]2CCCO2)c1 ZINC000274918184 456267132 /nfs/dbraw/zinc/26/71/32/456267132.db2.gz ALRFGJAPYZJFAO-CYBMUJFWSA-N -1 3 343.379 3.216 20 10 EGCDHM [O-]c1c(Cl)cccc1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000290262547 456276040 /nfs/dbraw/zinc/27/60/40/456276040.db2.gz WXEXJVMIWFDBDB-CYBMUJFWSA-N -1 3 348.830 3.146 20 10 EGCDHM COCCOCc1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000291020884 456499800 /nfs/dbraw/zinc/49/98/00/456499800.db2.gz GWCMJYPSBLNJGG-UHFFFAOYSA-N -1 3 335.831 3.498 20 10 EGCDHM C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276933962 456624741 /nfs/dbraw/zinc/62/47/41/456624741.db2.gz OSSXUTMVWUPEPW-BLLLJJGKSA-N -1 3 346.377 3.122 20 10 EGCDHM CN1Cc2ccccc2[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000378274354 457385699 /nfs/dbraw/zinc/38/56/99/457385699.db2.gz TWDPFOJZBWWPJA-OAHLLOKOSA-N -1 3 347.802 3.230 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000365250600 457733152 /nfs/dbraw/zinc/73/31/52/457733152.db2.gz ADMUWYRZALRADD-LBPRGKRZSA-N -1 3 343.826 3.202 20 10 EGCDHM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2cccc(O)c2[O-])c1 ZINC000369139361 458098552 /nfs/dbraw/zinc/09/85/52/458098552.db2.gz JDNNBARMMVUZJV-MLGOLLRUSA-N -1 3 327.380 3.330 20 10 EGCDHM COc1ccc([C@H]2CCCN2C(=O)c2cc([O-])cs2)cc1OC ZINC000732265592 575250485 /nfs/dbraw/zinc/25/04/85/575250485.db2.gz BURIPTLHKYNBTD-CYBMUJFWSA-N -1 3 333.409 3.448 20 10 EGCDHM CC(C)[C@@H](CNC(=O)COC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732352619 575261354 /nfs/dbraw/zinc/26/13/54/575261354.db2.gz AIYVLLYEIMPYMO-OAHLLOKOSA-N -1 3 347.436 3.167 20 10 EGCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1cc(Cl)ccc1F ZINC000732353979 575261619 /nfs/dbraw/zinc/26/16/19/575261619.db2.gz MNDZOEWKABRBOX-ZETCQYMHSA-N -1 3 343.763 3.430 20 10 EGCDHM Cc1ccc([C@@H](NC(=O)COC(=O)c2cc([O-])cs2)C2CC2)cc1 ZINC000732353907 575261639 /nfs/dbraw/zinc/26/16/39/575261639.db2.gz CZYUBKIWFQLJNE-QGZVFWFLSA-N -1 3 345.420 3.186 20 10 EGCDHM CC(C)[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N(C)c1ccccc1 ZINC000732353487 575261727 /nfs/dbraw/zinc/26/17/27/575261727.db2.gz RBEJMASOSBODDX-OAHLLOKOSA-N -1 3 333.409 3.298 20 10 EGCDHM COc1cc(F)c([C@@H](C)NC(=O)c2cc([O-])cs2)cc1OC ZINC000734016565 575427396 /nfs/dbraw/zinc/42/73/96/575427396.db2.gz SVPVELJJBVOPFU-MRVPVSSYSA-N -1 3 325.361 3.101 20 10 EGCDHM C[S@@](=O)Cc1cc(NC(=O)c2cc([O-])cs2)ccc1Cl ZINC000734555566 575512376 /nfs/dbraw/zinc/51/23/76/575512376.db2.gz XZSOPRYUOXASPX-HXUWFJFHSA-N -1 3 329.830 3.238 20 10 EGCDHM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1cc([O-])cs1 ZINC000740149722 576555151 /nfs/dbraw/zinc/55/51/51/576555151.db2.gz QTFSXNRVAMGUBX-GFCCVEGCSA-N -1 3 336.388 3.436 20 10 EGCDHM [O-]c1ccc(C[NH2+]Cc2cccc(Br)c2[O-])cc1F ZINC000120462198 1293321486 /nfs/dbraw/zinc/32/14/86/1293321486.db2.gz RZYXRZBPMJZTNH-UHFFFAOYSA-N -1 3 326.165 3.289 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)CCOCc2ccccc2)c1[O-] ZINC000154637440 1294064666 /nfs/dbraw/zinc/06/46/66/1294064666.db2.gz ZCOGCBAMSSLTRD-UHFFFAOYSA-N -1 3 331.387 3.383 20 10 EGCDHM Cc1ccc(C(=O)NOCc2ccc(C(F)(F)F)cc2)c([O-])c1O ZINC000182858735 1295080731 /nfs/dbraw/zinc/08/07/31/1295080731.db2.gz WPRGOODRGRDJBQ-UHFFFAOYSA-N -1 3 341.285 3.287 20 10 EGCDHM Cc1cc(C)n(-c2ccc(NC(=O)c3cccc(O)c3[O-])cc2F)n1 ZINC000186977547 1295360651 /nfs/dbraw/zinc/36/06/51/1295360651.db2.gz QCBPZFGCJTVKRU-UHFFFAOYSA-N -1 3 341.342 3.292 20 10 EGCDHM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000187154570 1295370506 /nfs/dbraw/zinc/37/05/06/1295370506.db2.gz YVYYARHFKSPXSW-KXBFYZLASA-N -1 3 341.407 3.304 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccco1)Cc1ccccc1O ZINC000193075775 1295832748 /nfs/dbraw/zinc/83/27/48/1295832748.db2.gz KFNWABXJCPSQRI-UHFFFAOYSA-N -1 3 339.347 3.239 20 10 EGCDHM O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cccc(O)c1[O-] ZINC000193157970 1295837795 /nfs/dbraw/zinc/83/77/95/1295837795.db2.gz PHSCIEDWAJISDY-CYBMUJFWSA-N -1 3 347.239 3.409 20 10 EGCDHM CC(C)(C)[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000709000153 1298247720 /nfs/dbraw/zinc/24/77/20/1298247720.db2.gz KQTWPWBPAWHVSJ-AWEZNQCLSA-N -1 3 328.250 3.402 20 10 EGCDHM COC[C@@]1(C)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715701613 1298284262 /nfs/dbraw/zinc/28/42/62/1298284262.db2.gz DTZMADQCYORREV-AWEZNQCLSA-N -1 3 332.213 3.152 20 10 EGCDHM CCN(CC)c1ccc(CN(C)C(=O)c2ccc(N)cc2[O-])cc1 ZINC000752760508 1299788249 /nfs/dbraw/zinc/78/82/49/1299788249.db2.gz UMMSJHUIWGNDLQ-UHFFFAOYSA-N -1 3 327.428 3.093 20 10 EGCDHM [O-]c1c(F)cc(F)cc1CNc1ccc(CN2CCOCC2)cc1 ZINC000883052361 1302223454 /nfs/dbraw/zinc/22/34/54/1302223454.db2.gz KNIMOZZIBOGTBD-UHFFFAOYSA-N -1 3 334.366 3.115 20 10 EGCDHM C[S@](=O)C[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000765638610 1302294440 /nfs/dbraw/zinc/29/44/40/1302294440.db2.gz MVCBLZCRFMHHDM-QRQCRPRQSA-N -1 3 341.835 3.394 20 10 EGCDHM CC(C)COC(=O)N1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769225511 1303075669 /nfs/dbraw/zinc/07/56/69/1303075669.db2.gz JFLXPNMDZRNVSF-UHFFFAOYSA-N -1 3 340.851 3.346 20 10 EGCDHM CCOc1ccc(OCC)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000770467024 1303273322 /nfs/dbraw/zinc/27/33/22/1303273322.db2.gz YDXDYAWXCSAQIP-UHFFFAOYSA-N -1 3 331.368 3.456 20 10 EGCDHM Cc1ccnc(-c2nnc([C@H](C)[NH2+][C@@H](C)c3c([O-])cccc3F)[n-]2)c1 ZINC000886603646 1303519510 /nfs/dbraw/zinc/51/95/10/1303519510.db2.gz SRBUAMOJTWMSOB-RYUDHWBXSA-N -1 3 341.390 3.432 20 10 EGCDHM C[C@H](NCc1ccncc1OC[C@@H]1CCOC1)c1c([O-])cccc1F ZINC000886611227 1303523173 /nfs/dbraw/zinc/52/31/73/1303523173.db2.gz WUJNXUVIMIJTPV-UONOGXRCSA-N -1 3 346.402 3.192 20 10 EGCDHM Cc1ccc(C(=O)N2CCN(C3CC3)c3c(C)cccc32)c([O-])c1O ZINC000774505777 1303817955 /nfs/dbraw/zinc/81/79/55/1303817955.db2.gz RAMSULFPFQYCDK-UHFFFAOYSA-N -1 3 338.407 3.344 20 10 EGCDHM COc1c([O-])c(CNc2cc(NC(C)=O)ccc2C)ccc1[N+](=O)[O-] ZINC000774914290 1303878462 /nfs/dbraw/zinc/87/84/62/1303878462.db2.gz NNTZCEQVYXWZHB-UHFFFAOYSA-N -1 3 345.355 3.188 20 10 EGCDHM COc1c([O-])c(CNCc2ccc(Cl)cc2F)ccc1[N+](=O)[O-] ZINC000775085490 1303904929 /nfs/dbraw/zinc/90/49/29/1303904929.db2.gz QIPFMPBFTIAHHX-UHFFFAOYSA-N -1 3 340.738 3.391 20 10 EGCDHM CCC[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCN1CCOC ZINC000775737611 1304025119 /nfs/dbraw/zinc/02/51/19/1304025119.db2.gz VWQFMFLTZHTPOH-HNNXBMFYSA-N -1 3 344.858 3.117 20 10 EGCDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC000779013739 1304518879 /nfs/dbraw/zinc/51/88/79/1304518879.db2.gz IJSIJJKOVZYMDW-BETUJISGSA-N -1 3 338.423 3.361 20 10 EGCDHM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1Cl ZINC000780905389 1304750427 /nfs/dbraw/zinc/75/04/27/1304750427.db2.gz OMKGOONRGOJTFK-UHFFFAOYSA-N -1 3 349.770 3.489 20 10 EGCDHM Cc1ccc(C(=O)Nc2cc(C3CCCCC3)nn2C)c([O-])c1O ZINC000780984667 1304758148 /nfs/dbraw/zinc/75/81/48/1304758148.db2.gz SEXXMPNGSYOWGC-UHFFFAOYSA-N -1 3 329.400 3.440 20 10 EGCDHM O=C(NCc1nc2cc(Cl)ccc2s1)c1cccc(O)c1[O-] ZINC000790572637 1306354434 /nfs/dbraw/zinc/35/44/34/1306354434.db2.gz SWZCOSREFLFBKV-UHFFFAOYSA-N -1 3 334.784 3.291 20 10 EGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])nn1-c1cc(C)cc(C)c1 ZINC000790919090 1308888124 /nfs/dbraw/zinc/88/81/24/1308888124.db2.gz HQXUDZSITAMCLY-UHFFFAOYSA-N -1 3 337.379 3.461 20 10 EGCDHM Cc1ccc(N2CC[C@H](NCc3c([O-])ccc(Cl)c3F)C2=O)cc1 ZINC000790973341 1308899940 /nfs/dbraw/zinc/89/99/40/1308899940.db2.gz MNSBLRXXDFDFEW-HNNXBMFYSA-N -1 3 348.805 3.388 20 10 EGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000894689811 1309023631 /nfs/dbraw/zinc/02/36/31/1309023631.db2.gz JOSAOHYGKTWUJB-KBPBESRZSA-N -1 3 344.224 3.437 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1[O-] ZINC000795062428 1309660627 /nfs/dbraw/zinc/66/06/27/1309660627.db2.gz QRURPJOVVGBQGO-ZDUSSCGKSA-N -1 3 349.324 3.276 20 10 EGCDHM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1cccc(O)c1[O-] ZINC000799084846 1310481602 /nfs/dbraw/zinc/48/16/02/1310481602.db2.gz GSSNESZIGQCHTB-UHFFFAOYSA-N -1 3 343.770 3.498 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000839188043 1320889324 /nfs/dbraw/zinc/88/93/24/1320889324.db2.gz WCGIZFRCBPNAJM-RISCZKNCSA-N -1 3 326.234 3.074 20 10 EGCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N)cc1[O-] ZINC000817995857 1319488307 /nfs/dbraw/zinc/48/83/07/1319488307.db2.gz DFLCYXOMGMDAFN-UHFFFAOYSA-N -1 3 327.428 3.091 20 10 EGCDHM Cc1cc([O-])c(CN2CCNC(=O)[C@H]2c2ccccc2)cc1Cl ZINC000824645369 1320273360 /nfs/dbraw/zinc/27/33/60/1320273360.db2.gz GPUSCOXSIYDFRI-QGZVFWFLSA-N -1 3 330.815 3.027 20 10 EGCDHM COCCN(Cc1ccc(Br)cc1[O-])CC(F)(F)F ZINC000824640078 1320273387 /nfs/dbraw/zinc/27/33/87/1320273387.db2.gz ZIWAWCOREJAOGL-UHFFFAOYSA-N -1 3 342.155 3.165 20 10 EGCDHM Cc1cc([O-])c(CN[C@H](CO)c2c(F)cccc2F)cc1Cl ZINC000825279835 1320323499 /nfs/dbraw/zinc/32/34/99/1320323499.db2.gz YAWKHYHPRRBVCC-CQSZACIVSA-N -1 3 327.758 3.455 20 10 EGCDHM CCOC(=O)[C@H](C)N(Cc1ccc(Br)cc1[O-])C1CC1 ZINC000825667363 1320353849 /nfs/dbraw/zinc/35/38/49/1320353849.db2.gz XMPMDQVWAWZTFZ-JTQLQIEISA-N -1 3 342.233 3.071 20 10 EGCDHM CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000839916397 1320994928 /nfs/dbraw/zinc/99/49/28/1320994928.db2.gz WGPYRAGVZNOVIZ-ZDUSSCGKSA-N -1 3 349.427 3.072 20 10 EGCDHM C[C@@H](N[C@@H](C)c1cc(Br)c(F)cc1[O-])c1ccn(C)n1 ZINC000840818758 1321156129 /nfs/dbraw/zinc/15/61/29/1321156129.db2.gz ZLNLROUTSDQAST-DTWKUNHWSA-N -1 3 342.212 3.439 20 10 EGCDHM COc1c([O-])c(CN2CC(Cc3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000857067653 1325566534 /nfs/dbraw/zinc/56/65/34/1325566534.db2.gz CMVXOGRKKLTJRC-UHFFFAOYSA-N -1 3 334.397 3.045 20 10 EGCDHM CN(Cc1nccn1C(F)F)Cc1c([O-])cccc1Br ZINC000862221651 1329467245 /nfs/dbraw/zinc/46/72/45/1329467245.db2.gz BJWUIVYXDGSXFG-UHFFFAOYSA-N -1 3 346.175 3.378 20 10 EGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(=O)[n-]c1Cl ZINC001190909123 1367380953 /nfs/dbraw/zinc/38/09/53/1367380953.db2.gz FWQKTMRSPJBLHJ-UHFFFAOYSA-N -1 3 333.819 3.169 20 10 EGCDHM COC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203586956 1370179627 /nfs/dbraw/zinc/17/96/27/1370179627.db2.gz XNLQPBYMYWJHLG-JTQLQIEISA-N -1 3 332.227 3.474 20 10 EGCDHM Cn1ncc2cc(-c3noc(-c4ccc([O-])c(O)c4Cl)n3)ccc21 ZINC001216952113 1373370027 /nfs/dbraw/zinc/37/00/27/1373370027.db2.gz UIJWOVQYJGLDCR-UHFFFAOYSA-N -1 3 342.742 3.355 20 10 EGCDHM Cc1ccncc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001188241410 1388273078 /nfs/dbraw/zinc/27/30/78/1388273078.db2.gz HEHOEBIFXABJNY-UHFFFAOYSA-N -1 3 327.771 3.227 20 10 EGCDHM C[C@H](Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)c1cncnc1 ZINC001226380053 1375248730 /nfs/dbraw/zinc/24/87/30/1375248730.db2.gz MWKTXIUEXOBFMM-NSHDSACASA-N -1 3 346.342 3.098 20 10 EGCDHM C[C@@H]1C[C@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)CCO1 ZINC001226382432 1375249730 /nfs/dbraw/zinc/24/97/30/1375249730.db2.gz BTSDFWBDKHLCEW-VXGBXAGGSA-N -1 3 338.359 3.114 20 10 EGCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(Oc2cccnc2)cc1 ZINC001188847456 1388390747 /nfs/dbraw/zinc/39/07/47/1388390747.db2.gz UDYNYBLXIVUBRD-UHFFFAOYSA-N -1 3 342.376 3.380 20 10 EGCDHM Cc1ccccc1OC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231447066 1376243748 /nfs/dbraw/zinc/24/37/48/1376243748.db2.gz OASALVSVQOHKJL-UHFFFAOYSA-N -1 3 341.407 3.442 20 10 EGCDHM Cc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(C)[nH]1 ZINC001189003276 1388433638 /nfs/dbraw/zinc/43/36/38/1388433638.db2.gz GERFWOSGMXWROT-UHFFFAOYSA-N -1 3 329.787 3.469 20 10 EGCDHM Cc1cc([O-])c(CN2C[C@H](CO)CC[C@@H]2C(F)(F)F)cc1Cl ZINC001231869312 1376330503 /nfs/dbraw/zinc/33/05/03/1376330503.db2.gz QCKGFNQNYXTRSC-QMTHXVAHSA-N -1 3 337.769 3.489 20 10 EGCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H](C)C2)c1 ZINC001233305959 1376607202 /nfs/dbraw/zinc/60/72/02/1376607202.db2.gz ZYBOZJLABSPFRB-SNVBAGLBSA-N -1 3 342.233 3.173 20 10 EGCDHM Cc1cccc(N2CCCN(Cc3c([O-])ccc(F)c3F)CC2)n1 ZINC001233335193 1376618252 /nfs/dbraw/zinc/61/82/52/1376618252.db2.gz LBSXNMATFULHTK-UHFFFAOYSA-N -1 3 333.382 3.086 20 10 EGCDHM Cc1ccnc(O[C@@H]2CCCN(Cc3c([O-])ccc(F)c3F)C2)c1 ZINC001233336633 1376620672 /nfs/dbraw/zinc/62/06/72/1376620672.db2.gz UAHURKDGKDPDLE-CYBMUJFWSA-N -1 3 334.366 3.417 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])cccc2F)CCCN1C(=O)OC(C)(C)C ZINC001137840221 1377627810 /nfs/dbraw/zinc/62/78/10/1377627810.db2.gz TXWYPSHLWNVJPI-ZDUSSCGKSA-N -1 3 338.423 3.363 20 10 EGCDHM COc1ccccc1O[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139683284 1377933878 /nfs/dbraw/zinc/93/38/78/1377933878.db2.gz KFDZNJKNMJYVKS-LBPRGKRZSA-N -1 3 335.350 3.332 20 10 EGCDHM CC(C)N(CCNC(=O)OC(C)(C)C)Cc1c(F)ccc(F)c1[O-] ZINC001139686163 1377934183 /nfs/dbraw/zinc/93/41/83/1377934183.db2.gz PRNZHULEPAGHGO-UHFFFAOYSA-N -1 3 344.402 3.406 20 10 EGCDHM [O-]c1ccc(F)cc1CN1CCc2nc(Br)sc2C1 ZINC001140055379 1377996840 /nfs/dbraw/zinc/99/68/40/1377996840.db2.gz UDYGOXRAXOQVFL-UHFFFAOYSA-N -1 3 343.221 3.309 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CC(Oc2ccccc2)C1 ZINC001140101690 1378007850 /nfs/dbraw/zinc/00/78/50/1378007850.db2.gz XWNYZURTHUHWFN-UHFFFAOYSA-N -1 3 334.213 3.418 20 10 EGCDHM O=C(C1CCCCC1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140464396 1378068450 /nfs/dbraw/zinc/06/84/50/1378068450.db2.gz OAOFOLIIUQAULF-UHFFFAOYSA-N -1 3 336.863 3.270 20 10 EGCDHM Cc1cccc(C(=O)N2CCN(Cc3ccc(Cl)cc3[O-])CC2)c1 ZINC001140467221 1378069083 /nfs/dbraw/zinc/06/90/83/1378069083.db2.gz QDFDYYIDUARCRQ-UHFFFAOYSA-N -1 3 344.842 3.312 20 10 EGCDHM COCC[C@@H]1CO[C@@]2(C1)CCCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140581162 1378089515 /nfs/dbraw/zinc/08/95/15/1378089515.db2.gz RDSSAHOUJNWEOH-SCLBCKFNSA-N -1 3 341.398 3.078 20 10 EGCDHM Cn1ccc2c1ncnc2NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157723927 1381014903 /nfs/dbraw/zinc/01/49/03/1381014903.db2.gz FHDIDARWATUMLG-UHFFFAOYSA-N -1 3 339.786 3.488 20 10 EGCDHM [O-]c1c(CNc2ncnc3cc[nH]c32)cc(Cl)c2cccnc12 ZINC001157724890 1381016209 /nfs/dbraw/zinc/01/62/09/1381016209.db2.gz XRJPKGQXONDKHX-UHFFFAOYSA-N -1 3 325.759 3.477 20 10 EGCDHM [O-]c1c(CNc2ccn3ncnc3c2)cc(Cl)c2cccnc12 ZINC001168523791 1383929928 /nfs/dbraw/zinc/92/99/28/1383929928.db2.gz SKCDXHBCBJZCTH-UHFFFAOYSA-N -1 3 325.759 3.249 20 10 EGCDHM O=c1ncc(NCc2cc3ccccc3cc2[O-])cn1CC(F)(F)F ZINC001171406910 1384514322 /nfs/dbraw/zinc/51/43/22/1384514322.db2.gz GJSDNRAKBPDLAC-UHFFFAOYSA-N -1 3 349.312 3.277 20 10 EGCDHM [O-]c1ccc2ccncc2c1CN1CCn2c(nnc2C2CCCC2)C1 ZINC001322050528 1387039667 /nfs/dbraw/zinc/03/96/67/1387039667.db2.gz GUTWRKOFGFLGAQ-UHFFFAOYSA-N -1 3 349.438 3.205 20 10 EGCDHM Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1[O-] ZINC000826267736 1427342481 /nfs/dbraw/zinc/34/24/81/1427342481.db2.gz TUHYOEJZCYRVIZ-NSHDSACASA-N -1 3 343.818 3.385 20 10 EGCDHM O=C([O-])[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001595196895 952302979 /nfs/dbraw/zinc/30/29/79/952302979.db2.gz BONQNBOUUGPMQM-KRWDZBQOSA-N -1 3 341.407 3.268 20 10 EGCDHM O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001595196895 952302984 /nfs/dbraw/zinc/30/29/84/952302984.db2.gz BONQNBOUUGPMQM-KRWDZBQOSA-N -1 3 341.407 3.268 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000817881481 969184774 /nfs/dbraw/zinc/18/47/74/969184774.db2.gz UTQYVKPEKOEVAK-MNOVXSKESA-N -1 3 342.233 3.148 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000817881481 969184777 /nfs/dbraw/zinc/18/47/77/969184777.db2.gz UTQYVKPEKOEVAK-MNOVXSKESA-N -1 3 342.233 3.148 20 10 EGCDHM CCCC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)[O-] ZINC000840996887 979298298 /nfs/dbraw/zinc/29/82/98/979298298.db2.gz SGWMHLFFKILURF-GFCCVEGCSA-N -1 3 330.222 3.196 20 10 EGCDHM CCN(CC)c1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1F ZINC000901499631 980317482 /nfs/dbraw/zinc/31/74/82/980317482.db2.gz NOHDUFSAEAHMES-OAHLLOKOSA-N -1 3 334.435 3.359 20 10 EGCDHM C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593303212 994731336 /nfs/dbraw/zinc/73/13/36/994731336.db2.gz FHKKDDFOHALMNN-GFCCVEGCSA-N -1 3 327.380 3.014 20 10 EGCDHM C[C@H](NCc1cccc2c1OCCCO2)c1cc(C(=O)[O-])ccc1O ZINC001593305589 994764211 /nfs/dbraw/zinc/76/42/11/994764211.db2.gz XKNFKIHJFRLCLI-LBPRGKRZSA-N -1 3 343.379 3.103 20 10 EGCDHM O=C(c1cccc(NCc2c([O-])cccc2Cl)c1)N1CCOCC1 ZINC000160166201 455434068 /nfs/dbraw/zinc/43/40/68/455434068.db2.gz VKFLGNLKHKJULY-UHFFFAOYSA-N -1 3 346.814 3.130 20 10 EGCDHM COc1ccc(CN[C@H](C)c2ccc(F)cc2[O-])c(OC)c1OC ZINC000185067099 455495253 /nfs/dbraw/zinc/49/52/53/455495253.db2.gz FLEUERPCUAIOTQ-LLVKDONJSA-N -1 3 335.375 3.408 20 10 EGCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)c([O-])c1O ZINC000158545536 455311683 /nfs/dbraw/zinc/31/16/83/455311683.db2.gz WPWNGXZAHOBFMS-ZBFHGGJFSA-N -1 3 327.380 3.056 20 10 EGCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1nc(C(F)(F)F)cs1 ZINC000185779564 455620693 /nfs/dbraw/zinc/62/06/93/455620693.db2.gz APYDEEALWQPEFG-QMMMGPOBSA-N -1 3 346.330 3.454 20 10 EGCDHM C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000186262234 455728250 /nfs/dbraw/zinc/72/82/50/455728250.db2.gz ZXFPVVWYJCDQLI-LBPRGKRZSA-N -1 3 345.830 3.155 20 10 EGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC1(C2CC2)CC1 ZINC000278109440 455760605 /nfs/dbraw/zinc/76/06/05/455760605.db2.gz MAZNWZJSIPKBNW-UHFFFAOYSA-N -1 3 334.803 3.000 20 10 EGCDHM COc1ccc(C)cc1[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278575072 455840176 /nfs/dbraw/zinc/84/01/76/455840176.db2.gz DJFZTLGNDITTOX-LBPRGKRZSA-N -1 3 346.383 3.477 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1[O-] ZINC000285739816 455906734 /nfs/dbraw/zinc/90/67/34/455906734.db2.gz YARDQSFYRKUJCG-HNNXBMFYSA-N -1 3 349.324 3.013 20 10 EGCDHM C[C@@H](N[C@@H](CN(C)C)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000286868423 456055902 /nfs/dbraw/zinc/05/59/02/456055902.db2.gz BOIWQAADAWZAFI-PXAZEXFGSA-N -1 3 347.390 3.393 20 10 EGCDHM CC[C@@H](NCCS(=O)(=O)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287527719 456071076 /nfs/dbraw/zinc/07/10/76/456071076.db2.gz DMIUASXFDSPRDC-GFCCVEGCSA-N -1 3 340.272 3.174 20 10 EGCDHM [O-]c1ccccc1CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000289143622 456116425 /nfs/dbraw/zinc/11/64/25/456116425.db2.gz ALASXKHLDWQTRO-GOEBONIOSA-N -1 3 329.400 3.354 20 10 EGCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1O ZINC000273425089 456230654 /nfs/dbraw/zinc/23/06/54/456230654.db2.gz TYEUCJSEGKVGBW-GOEBONIOSA-N -1 3 345.370 3.195 20 10 EGCDHM CC[C@@H](N[C@H](C)c1ncn(C)n1)c1cc(Br)ccc1[O-] ZINC000275764645 456307084 /nfs/dbraw/zinc/30/70/84/456307084.db2.gz UAVDMVKAQQKWJJ-BXKDBHETSA-N -1 3 339.237 3.085 20 10 EGCDHM C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000290919838 456467144 /nfs/dbraw/zinc/46/71/44/456467144.db2.gz NTDKSBQBRBMRHU-GJZGRUSLSA-N -1 3 345.464 3.067 20 10 EGCDHM [O-]c1ccc(-c2ccccc2)cc1CN1CCOC[C@@]12CCOC2 ZINC000282469563 456523559 /nfs/dbraw/zinc/52/35/59/456523559.db2.gz WDZMSFAONREFKZ-FQEVSTJZSA-N -1 3 325.408 3.051 20 10 EGCDHM CCO[C@@H]1C[C@@H](NCc2c([O-])ccc(Cl)c2F)[C@]12CCCO2 ZINC000364583404 457648052 /nfs/dbraw/zinc/64/80/52/457648052.db2.gz SQHAZBWYCXEYDB-IIAWOOMASA-N -1 3 329.799 3.001 20 10 EGCDHM COc1cccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1O ZINC000367353817 457949169 /nfs/dbraw/zinc/94/91/69/457949169.db2.gz NQCYCMMZOSBDFB-UHFFFAOYSA-N -1 3 341.407 3.201 20 10 EGCDHM Cc1cc(C)[n-]c(=NNC(=S)Nc2ccc(OC(C)C)cc2)n1 ZINC000726434363 574553050 /nfs/dbraw/zinc/55/30/50/574553050.db2.gz MAFDNASHSRPOIT-UHFFFAOYSA-N -1 3 331.445 3.194 20 10 EGCDHM CC1CCC(N(C(=O)CN(C)Cc2ccccc2[O-])C2CC2)CC1 ZINC000731842858 575211393 /nfs/dbraw/zinc/21/13/93/575211393.db2.gz LDVXXWLOUQWUDJ-UHFFFAOYSA-N -1 3 330.472 3.394 20 10 EGCDHM C[C@H]1CCCN(Cc2csc(NC(=O)c3cc([O-])cs3)n2)C1 ZINC000731866063 575213463 /nfs/dbraw/zinc/21/34/63/575213463.db2.gz FEHZLMINHQOZFT-JTQLQIEISA-N -1 3 337.470 3.394 20 10 EGCDHM Cc1ccc(NC(=O)COC(=O)c2cc([O-])cs2)cc1Cl ZINC000731910833 575218667 /nfs/dbraw/zinc/21/86/67/575218667.db2.gz DSOUDORKCMOTKP-UHFFFAOYSA-N -1 3 325.773 3.211 20 10 EGCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000731912173 575218721 /nfs/dbraw/zinc/21/87/21/575218721.db2.gz PUDKLAUMXFLYPL-UWVGGRQHSA-N -1 3 337.372 3.016 20 10 EGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1cccc(Cl)c1 ZINC000731912177 575218787 /nfs/dbraw/zinc/21/87/87/575218787.db2.gz PWXLHMWRURWPKL-MRVPVSSYSA-N -1 3 325.773 3.291 20 10 EGCDHM CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)cc1 ZINC000731912597 575219010 /nfs/dbraw/zinc/21/90/10/575219010.db2.gz ULUFDZZUXVOWIV-JTQLQIEISA-N -1 3 335.381 3.036 20 10 EGCDHM [O-]c1ccccc1CN(Cc1nnc2n1CCCC2)C1CCCC1 ZINC000732204245 575244183 /nfs/dbraw/zinc/24/41/83/575244183.db2.gz GPQKXQBQXWTWEJ-UHFFFAOYSA-N -1 3 326.444 3.265 20 10 EGCDHM CC[C@@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ccc(OC)cc1 ZINC000732353209 575261463 /nfs/dbraw/zinc/26/14/63/575261463.db2.gz OAYUDLIHDNDTSH-CYBMUJFWSA-N -1 3 335.381 3.036 20 10 EGCDHM O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cc([O-])cs1 ZINC000735700933 575701468 /nfs/dbraw/zinc/70/14/68/575701468.db2.gz PGVQABUGUMLPAH-LLVKDONJSA-N -1 3 332.208 3.224 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCOCC12CCCC2 ZINC000691674475 1298135211 /nfs/dbraw/zinc/13/52/11/1298135211.db2.gz FRUFHCLXPOQACD-UHFFFAOYSA-N -1 3 326.234 3.300 20 10 EGCDHM Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000068512685 1292206890 /nfs/dbraw/zinc/20/68/90/1292206890.db2.gz KZPDRBVRDLXXOH-OAHLLOKOSA-N -1 3 340.423 3.028 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000185871269 1295292310 /nfs/dbraw/zinc/29/23/10/1295292310.db2.gz YTRGARUJCCWPDR-UHFFFAOYSA-N -1 3 339.347 3.239 20 10 EGCDHM O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000193169139 1295839071 /nfs/dbraw/zinc/83/90/71/1295839071.db2.gz TUYNJOVAFUTRMD-LBPRGKRZSA-N -1 3 325.286 3.174 20 10 EGCDHM CC(C)(C)OC(=O)NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876583358 1298847448 /nfs/dbraw/zinc/84/74/48/1298847448.db2.gz IPKKNTVATLPRMM-UHFFFAOYSA-N -1 3 342.386 3.160 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccccc3C)CC2)c1[O-] ZINC000750818898 1299458364 /nfs/dbraw/zinc/45/83/64/1299458364.db2.gz ATWOHDCIGMFUKI-UHFFFAOYSA-N -1 3 342.414 3.365 20 10 EGCDHM CCn1c2ccc(F)cc2nc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000752808048 1299798607 /nfs/dbraw/zinc/79/86/07/1299798607.db2.gz NJLJKCVGWRRGQA-UHFFFAOYSA-N -1 3 329.331 3.167 20 10 EGCDHM C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1c([O-])cccc1F ZINC000886566376 1303504940 /nfs/dbraw/zinc/50/49/40/1303504940.db2.gz PICPCKYCMCHGIR-LBPRGKRZSA-N -1 3 332.375 3.171 20 10 EGCDHM COc1c([O-])c(CN2C[C@@H](C)Oc3ccc(C)cc32)ccc1[N+](=O)[O-] ZINC000775068412 1303899650 /nfs/dbraw/zinc/89/96/50/1303899650.db2.gz OHQMQRSNZZTUCB-GFCCVEGCSA-N -1 3 344.367 3.405 20 10 EGCDHM CCCC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775666975 1304010659 /nfs/dbraw/zinc/01/06/59/1304010659.db2.gz BLEKPUGXQVKAIF-LBPRGKRZSA-N -1 3 342.842 3.313 20 10 EGCDHM CCOc1ccc(Cl)cc1CCNC(=O)c1cccc(O)c1[O-] ZINC000776357678 1304139417 /nfs/dbraw/zinc/13/94/17/1304139417.db2.gz RMSXLDXTISHIIC-UHFFFAOYSA-N -1 3 335.787 3.122 20 10 EGCDHM Cc1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)c([O-])c1O ZINC000780905463 1304750878 /nfs/dbraw/zinc/75/08/78/1304750878.db2.gz PYBUOXBUMDLYCS-UHFFFAOYSA-N -1 3 341.392 3.101 20 10 EGCDHM Cc1ccc(C(=O)Nc2cnc(Br)cc2C)c([O-])c1O ZINC000780957263 1304755507 /nfs/dbraw/zinc/75/55/07/1304755507.db2.gz RIMUKPQKNRBOJH-UHFFFAOYSA-N -1 3 337.173 3.124 20 10 EGCDHM Cc1noc(C2(C)CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)n1 ZINC000781529897 1304839232 /nfs/dbraw/zinc/83/92/32/1304839232.db2.gz SCLQXFAJJDIBIO-UHFFFAOYSA-N -1 3 339.798 3.430 20 10 EGCDHM Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cccc(O)c1[O-] ZINC000787348324 1305736216 /nfs/dbraw/zinc/73/62/16/1305736216.db2.gz UTTPFLUWZNMROB-UHFFFAOYSA-N -1 3 325.286 3.355 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697495 1317866914 /nfs/dbraw/zinc/86/69/14/1317866914.db2.gz HWWITKSXIRVOEE-WPRPVWTQSA-N -1 3 341.732 3.177 20 10 EGCDHM CN(C)C(=O)Sc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790700484 1308854218 /nfs/dbraw/zinc/85/42/18/1308854218.db2.gz AWQXROYMEHXSOJ-UHFFFAOYSA-N -1 3 332.381 3.124 20 10 EGCDHM Cc1ccnc(Oc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)n1 ZINC000790873075 1308878117 /nfs/dbraw/zinc/87/81/17/1308878117.db2.gz GIRVDSSNMLNTIT-UHFFFAOYSA-N -1 3 337.335 3.241 20 10 EGCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000807807847 1317588816 /nfs/dbraw/zinc/58/88/16/1317588816.db2.gz JJQRFZFLLUIINV-DLBZAZTESA-N -1 3 341.407 3.416 20 10 EGCDHM CCNC(=O)OC[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000809691212 1317863972 /nfs/dbraw/zinc/86/39/72/1317863972.db2.gz JNJAQDKKLDXMIK-ZDUSSCGKSA-N -1 3 326.824 3.146 20 10 EGCDHM COc1c([O-])c(CN2CCCN(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000809786010 1317900776 /nfs/dbraw/zinc/90/07/76/1317900776.db2.gz LRTDRYTXRCPFIU-UHFFFAOYSA-N -1 3 343.383 3.156 20 10 EGCDHM O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cccc(O)c1[O-] ZINC000811549168 1318201580 /nfs/dbraw/zinc/20/15/80/1318201580.db2.gz BPOVPOSMRUYBHU-RBUKOAKNSA-N -1 3 349.386 3.303 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(c3ncccc3F)CC2)cc1Cl ZINC000824869476 1320293188 /nfs/dbraw/zinc/29/31/88/1320293188.db2.gz BFQZQBIIQVHBAT-UHFFFAOYSA-N -1 3 335.810 3.210 20 10 EGCDHM C/C=C\C[C@H](NCc1ccc(Br)cc1[O-])C(=O)OCC ZINC000825692280 1320356147 /nfs/dbraw/zinc/35/61/47/1320356147.db2.gz HHACPXMGMUNUKA-DXTPNHAXSA-N -1 3 342.233 3.142 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(c3cccc(F)n3)CC2)cc1Cl ZINC000826062462 1320381773 /nfs/dbraw/zinc/38/17/73/1320381773.db2.gz SGZSNJPLWYFOEK-UHFFFAOYSA-N -1 3 335.810 3.210 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000837097783 1320571865 /nfs/dbraw/zinc/57/18/65/1320571865.db2.gz BAKDSEHUVUHEEC-UHFFFAOYSA-N -1 3 347.361 3.471 20 10 EGCDHM C[C@@H](N[C@H](C)c1cc(Br)cc(F)c1[O-])c1ccn(C)n1 ZINC000840816457 1321155405 /nfs/dbraw/zinc/15/54/05/1321155405.db2.gz NLQSHWDYSRMLCC-RKDXNWHRSA-N -1 3 342.212 3.439 20 10 EGCDHM Cc1cc(Br)cc(C[NH2+][C@@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000840997220 1321196421 /nfs/dbraw/zinc/19/64/21/1321196421.db2.gz OCCGQWGSRZNTBT-LBPRGKRZSA-N -1 3 330.222 3.052 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000859816215 1329084883 /nfs/dbraw/zinc/08/48/83/1329084883.db2.gz YPOYLYLONKHOFF-GWCFXTLKSA-N -1 3 342.233 3.006 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1[O-] ZINC000859816215 1329084887 /nfs/dbraw/zinc/08/48/87/1329084887.db2.gz YPOYLYLONKHOFF-GWCFXTLKSA-N -1 3 342.233 3.006 20 10 EGCDHM [O-]c1cccnc1CNC(=S)Nc1cccc(Br)c1 ZINC001197015128 1368732021 /nfs/dbraw/zinc/73/20/21/1368732021.db2.gz CJRDWVOPIFGDFV-UHFFFAOYSA-N -1 3 338.230 3.036 20 10 EGCDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2cnn(CC)c21 ZINC001203656795 1370204199 /nfs/dbraw/zinc/20/41/99/1370204199.db2.gz XYMOAHYJMVMRGN-HNNXBMFYSA-N -1 3 349.862 3.398 20 10 EGCDHM Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)[N-]OC2CCC2)cc1 ZINC001118874562 1371244257 /nfs/dbraw/zinc/24/42/57/1371244257.db2.gz FPASUJLXXGLXET-UHFFFAOYSA-N -1 3 326.396 3.049 20 10 EGCDHM CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC001212633080 1372741239 /nfs/dbraw/zinc/74/12/39/1372741239.db2.gz FPFODDZXQJIVGC-UHFFFAOYSA-N -1 3 346.330 3.091 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(F)c(F)c(F)c2F)no1 ZINC001215325371 1373197853 /nfs/dbraw/zinc/19/78/53/1373197853.db2.gz OYAXSDLDTDSDQX-UHFFFAOYSA-N -1 3 342.204 3.077 20 10 EGCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@@H]1CCCCO1 ZINC001227937080 1375493326 /nfs/dbraw/zinc/49/33/26/1375493326.db2.gz AKIGLCHRIFOEDJ-AWEZNQCLSA-N -1 3 328.364 3.277 20 10 EGCDHM Cc1cccc(OC2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)c1 ZINC001231455488 1376245061 /nfs/dbraw/zinc/24/50/61/1376245061.db2.gz PSJOCWDDILLEIA-UHFFFAOYSA-N -1 3 341.407 3.442 20 10 EGCDHM CCn1cc2c(n1)CN(Cc1cc(Cl)c(C)cc1[O-])C[C@H]2COC ZINC001231868329 1376330907 /nfs/dbraw/zinc/33/09/07/1376330907.db2.gz TXMWZKYGEPKQQG-AWEZNQCLSA-N -1 3 349.862 3.316 20 10 EGCDHM Cc1cnc(O[C@@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)nc1 ZINC001231913478 1376348103 /nfs/dbraw/zinc/34/81/03/1376348103.db2.gz KHNKIWGQPBZLBN-CQSZACIVSA-N -1 3 333.819 3.187 20 10 EGCDHM Cc1cncnc1OC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC001231914020 1376348131 /nfs/dbraw/zinc/34/81/31/1376348131.db2.gz WVSKWYINLGGPPV-UHFFFAOYSA-N -1 3 333.819 3.187 20 10 EGCDHM COc1cccnc1O[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231913997 1376348791 /nfs/dbraw/zinc/34/87/91/1376348791.db2.gz WQTOVEDNWIWQOY-CQSZACIVSA-N -1 3 348.830 3.493 20 10 EGCDHM COC(=O)[C@H]1CCN(Cc2c([O-])ccc(F)c2F)[C@H]1c1ccccc1 ZINC001233336474 1376620360 /nfs/dbraw/zinc/62/03/60/1376620360.db2.gz NAPHYOQMAWHBEQ-UGSOOPFHSA-N -1 3 347.361 3.407 20 10 EGCDHM [O-]c1c(F)cccc1CN1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001138123985 1377680927 /nfs/dbraw/zinc/68/09/27/1377680927.db2.gz USOXZMXSSJSUFY-NLWGTHIKSA-N -1 3 349.446 3.470 20 10 EGCDHM [O-]c1c(F)ccc(F)c1CN1CCC(O)(c2ccc(F)cc2)CC1 ZINC001139684588 1377933723 /nfs/dbraw/zinc/93/37/23/1377933723.db2.gz OBQLXSOXVQMSGY-UHFFFAOYSA-N -1 3 337.341 3.293 20 10 EGCDHM CN(Cc1ccc(-n2ccnc2)cc1)Cc1c(F)ccc(F)c1[O-] ZINC001139687898 1377934269 /nfs/dbraw/zinc/93/42/69/1377934269.db2.gz UDBPLAMOMYVQCF-UHFFFAOYSA-N -1 3 329.350 3.488 20 10 EGCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001139689215 1377935288 /nfs/dbraw/zinc/93/52/88/1377935288.db2.gz GADCCUGJJRCLBQ-HOTGVXAUSA-N -1 3 328.378 3.069 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2Cl)[C@H]2C[C@H]21 ZINC001140339532 1378049017 /nfs/dbraw/zinc/04/90/17/1378049017.db2.gz WIAXSSSYXDYDSC-UONOGXRCSA-N -1 3 338.835 3.239 20 10 EGCDHM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1c([O-])cccc1Cl ZINC001140341622 1378049403 /nfs/dbraw/zinc/04/94/03/1378049403.db2.gz ZUJSQIZONGXESA-INIZCTEOSA-N -1 3 331.799 3.146 20 10 EGCDHM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(Cl)cc1[O-] ZINC001140465073 1378067655 /nfs/dbraw/zinc/06/76/55/1378067655.db2.gz HDWPSEBAHHPQGR-INIZCTEOSA-N -1 3 331.799 3.146 20 10 EGCDHM CCOC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2cnn(CC)c21 ZINC001140466420 1378067794 /nfs/dbraw/zinc/06/77/94/1378067794.db2.gz DPCWHEUBJWFYQU-HNNXBMFYSA-N -1 3 349.862 3.398 20 10 EGCDHM CCOC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2c1cnn2CC ZINC001140467714 1378069205 /nfs/dbraw/zinc/06/92/05/1378069205.db2.gz WCJSXMXTKKVKKX-AWEZNQCLSA-N -1 3 349.862 3.398 20 10 EGCDHM CC(C)N(CCNC(=O)OC(C)(C)C)Cc1c([O-])cc(F)cc1F ZINC001140583230 1378090267 /nfs/dbraw/zinc/09/02/67/1378090267.db2.gz AANKUMHMGKTMCW-UHFFFAOYSA-N -1 3 344.402 3.406 20 10 EGCDHM O=C1N(CC2CCCC2)CC[C@@]12CCCN2Cc1c([O-])cccc1F ZINC001273265580 1378093004 /nfs/dbraw/zinc/09/30/04/1378093004.db2.gz HXCSGWNBDKRYTE-FQEVSTJZSA-N -1 3 346.446 3.288 20 10 EGCDHM O=C1N(C2CCCC2)CC[C@@]12CCCN2Cc1c([O-])cccc1F ZINC001273266335 1378093408 /nfs/dbraw/zinc/09/34/08/1378093408.db2.gz WYKXVNCRQNTNML-IBGZPJMESA-N -1 3 332.419 3.041 20 10 EGCDHM C[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC[C@@H]1O ZINC001141367819 1378311227 /nfs/dbraw/zinc/31/12/27/1378311227.db2.gz RQUXRGIQIYFTHO-ZANVPECISA-N -1 3 348.668 3.401 20 10 EGCDHM COc1ccccc1O[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142520818 1378452380 /nfs/dbraw/zinc/45/23/80/1378452380.db2.gz PUPLCZHKTUBMFO-CYBMUJFWSA-N -1 3 335.350 3.332 20 10 EGCDHM C[C@](O)(C1CCN(Cc2cc(F)c(F)cc2[O-])CC1)C(F)(F)F ZINC001142527437 1378453171 /nfs/dbraw/zinc/45/31/71/1378453171.db2.gz UWOSTUPZNKNGBR-AWEZNQCLSA-N -1 3 339.304 3.196 20 10 EGCDHM [O-]c1cc(F)c(F)cc1CN1CCN2CCc3ccccc3[C@@H]2C1 ZINC001142527354 1378453199 /nfs/dbraw/zinc/45/31/99/1378453199.db2.gz SBRNNAIWBUYEJM-SFHVURJKSA-N -1 3 330.378 3.085 20 10 EGCDHM COC(=O)[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])[C@H]1c1ccccc1 ZINC001142534431 1378455476 /nfs/dbraw/zinc/45/54/76/1378455476.db2.gz JGTGWYLXTNRUBG-KSSFIOAISA-N -1 3 347.361 3.407 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@]2(C1)CCCCO2 ZINC001144294208 1378711799 /nfs/dbraw/zinc/71/17/99/1378711799.db2.gz ZQQCOOMDCFZXLO-HNNXBMFYSA-N -1 3 344.224 3.439 20 10 EGCDHM CN(Cc1ccccn1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298851 1378712491 /nfs/dbraw/zinc/71/24/91/1378712491.db2.gz LRYRHMUXIDCZMO-UHFFFAOYSA-N -1 3 325.181 3.321 20 10 EGCDHM Cc1nc(-c2cccc(NC(=O)c3cc(O)c([O-])c(O)c3)c2)cs1 ZINC001148580721 1379215772 /nfs/dbraw/zinc/21/57/72/1379215772.db2.gz KXPHTGJTSWZOAF-UHFFFAOYSA-N -1 3 342.376 3.488 20 10 EGCDHM COc1cccc2c(NC(=O)c3cc(O)c([O-])c(O)c3)cccc12 ZINC001148586499 1379218097 /nfs/dbraw/zinc/21/80/97/1379218097.db2.gz QAIWKOUWVMRMER-UHFFFAOYSA-N -1 3 325.320 3.218 20 10 EGCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001148588321 1379218220 /nfs/dbraw/zinc/21/82/20/1379218220.db2.gz SIUNIDLIKPRQRN-CYBMUJFWSA-N -1 3 349.333 3.068 20 10 EGCDHM CCOc1ccc(N2CCN(C(=O)c3c(C)cccc3[O-])CC2)cc1 ZINC001351499845 1391645785 /nfs/dbraw/zinc/64/57/85/1391645785.db2.gz QRPQKQWEQZNLFK-UHFFFAOYSA-N -1 3 340.423 3.062 20 10 EGCDHM CCN(CC)c1ccc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000900069346 980240684 /nfs/dbraw/zinc/24/06/84/980240684.db2.gz YLALGYWUOFCAHN-INIZCTEOSA-N -1 3 342.443 3.052 20 10 EGCDHM COc1ccc([C@H](NCc2ccc(N(C)C)cc2)C(=O)[O-])cc1Cl ZINC000901847367 980571066 /nfs/dbraw/zinc/57/10/66/980571066.db2.gz GRJMLVWIMRQFGW-KRWDZBQOSA-N -1 3 348.830 3.330 20 10 EGCDHM CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cc(C(=O)[O-])ccc2O)n[nH]1 ZINC001595015303 982960788 /nfs/dbraw/zinc/96/07/88/982960788.db2.gz HWCRWQAGBWDWIC-HBNTYKKESA-N -1 3 332.404 3.134 20 10 EGCDHM CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001597514162 988117010 /nfs/dbraw/zinc/11/70/10/988117010.db2.gz IUIPOTYAXXCMQL-SGTLLEGYSA-N -1 3 329.396 3.037 20 10 EGCDHM C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593232122 994381831 /nfs/dbraw/zinc/38/18/31/994381831.db2.gz MIODSCLQOXEXSU-XLWVJDPXSA-N -1 3 342.395 3.056 20 10 EGCDHM C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257569 994532168 /nfs/dbraw/zinc/53/21/68/994532168.db2.gz QEKJCLUZEKGAMS-GXTWGEPZSA-N -1 3 327.380 3.307 20 10 EGCDHM C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593285830 994638832 /nfs/dbraw/zinc/63/88/32/994638832.db2.gz KBGGOEUAAJCBAS-MGPLVRAMSA-N -1 3 335.787 3.128 20 10 EGCDHM COc1cc(C)cc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)c1O ZINC001599391956 997055044 /nfs/dbraw/zinc/05/50/44/997055044.db2.gz HOKPEDUZVKMZLT-UHFFFAOYSA-N -1 3 345.370 3.105 20 10 EGCDHM COc1ccc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1OC ZINC001599556986 998111447 /nfs/dbraw/zinc/11/14/47/998111447.db2.gz PFNLOESMNWLFGO-LBPRGKRZSA-N -1 3 345.395 3.001 20 10 EGCDHM CCc1nnc(CN(CC)Cc2cc(Br)ccc2[O-])o1 ZINC000076118503 453966854 /nfs/dbraw/zinc/96/68/54/453966854.db2.gz JJQWDUVUPCEEIU-UHFFFAOYSA-N -1 3 340.221 3.122 20 10 EGCDHM CC(C)c1noc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000264614828 455249078 /nfs/dbraw/zinc/24/90/78/455249078.db2.gz ORNRVXSCOFCFJM-OAHLLOKOSA-N -1 3 331.416 3.080 20 10 EGCDHM COc1cc(Cl)cc(CNC2(c3noc(C)n3)CCCC2)c1[O-] ZINC000184707123 455433555 /nfs/dbraw/zinc/43/35/55/455433555.db2.gz UBZNGMYWOAHMOA-UHFFFAOYSA-N -1 3 337.807 3.305 20 10 EGCDHM O=C(c1ccccc1)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000121224859 454408014 /nfs/dbraw/zinc/40/80/14/454408014.db2.gz UJJONCBWWMYHBD-UHFFFAOYSA-N -1 3 344.842 3.394 20 10 EGCDHM CCc1ccc([O-])c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000091986561 454500549 /nfs/dbraw/zinc/50/05/49/454500549.db2.gz UIWMGEQOWSBTBS-UHFFFAOYSA-N -1 3 326.396 3.060 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000177037199 454815552 /nfs/dbraw/zinc/81/55/52/454815552.db2.gz NSCZPPNSQIAQBH-LBPRGKRZSA-N -1 3 333.819 3.351 20 10 EGCDHM COc1ccc(-c2noc(CN(C)Cc3ccccc3[O-])n2)cc1 ZINC000111236121 454859188 /nfs/dbraw/zinc/85/91/88/454859188.db2.gz OIEOIYLOZLVFFT-UHFFFAOYSA-N -1 3 325.368 3.083 20 10 EGCDHM CCOc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000112583581 454891873 /nfs/dbraw/zinc/89/18/73/454891873.db2.gz WTRLMKVUYVYIRY-AWEZNQCLSA-N -1 3 328.412 3.250 20 10 EGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C1=CCCCC1 ZINC000119106101 455126152 /nfs/dbraw/zinc/12/61/52/455126152.db2.gz DFBYVOMESADIBG-UHFFFAOYSA-N -1 3 337.803 3.048 20 10 EGCDHM C[C@H](c1ccc(F)cc1)N1CC[C@H](N(C)Cc2ccccc2[O-])C1=O ZINC000292767065 455752035 /nfs/dbraw/zinc/75/20/35/455752035.db2.gz JHCQOSRGNVRYDE-KDOFPFPSSA-N -1 3 342.414 3.325 20 10 EGCDHM CC(=O)N(c1ccc(NC(=O)c2cccc(O)c2[O-])cc1)[C@@H]1C[C@@H]1C ZINC000294079322 455804779 /nfs/dbraw/zinc/80/47/79/455804779.db2.gz HSQDWUXFNCLPKB-MEDUHNTESA-N -1 3 340.379 3.111 20 10 EGCDHM COc1ccc(N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1F ZINC000278525603 455838758 /nfs/dbraw/zinc/83/87/58/455838758.db2.gz SZZGMPGCAFUZBG-UHFFFAOYSA-N -1 3 336.319 3.093 20 10 EGCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000272097189 455845229 /nfs/dbraw/zinc/84/52/29/455845229.db2.gz KNZMDZDOTZKACE-UHFFFAOYSA-N -1 3 349.408 3.354 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1[O-] ZINC000285739819 455907093 /nfs/dbraw/zinc/90/70/93/455907093.db2.gz YARDQSFYRKUJCG-OAHLLOKOSA-N -1 3 349.324 3.013 20 10 EGCDHM COCC(=O)N1CCc2cc(N[C@H](C)c3cc(F)ccc3[O-])ccc21 ZINC000187659893 455934687 /nfs/dbraw/zinc/93/46/87/455934687.db2.gz KRBDPPVIZXYPBH-GFCCVEGCSA-N -1 3 344.386 3.240 20 10 EGCDHM CC[C@H](NCCS(=O)(=O)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287527726 456071360 /nfs/dbraw/zinc/07/13/60/456071360.db2.gz DMIUASXFDSPRDC-LBPRGKRZSA-N -1 3 340.272 3.174 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCC(CCCO)CC1 ZINC000272942808 456119355 /nfs/dbraw/zinc/11/93/55/456119355.db2.gz MOIMITXACKKUJP-UHFFFAOYSA-N -1 3 328.250 3.139 20 10 EGCDHM COCCOc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273405896 456228652 /nfs/dbraw/zinc/22/86/52/456228652.db2.gz OKBYRSYIUFVACU-ZDUSSCGKSA-N -1 3 346.383 3.176 20 10 EGCDHM C[C@@H](NCc1ccc(OCC2CC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273565463 456239323 /nfs/dbraw/zinc/23/93/23/456239323.db2.gz JKGOOSYLEBTTLE-GFCCVEGCSA-N -1 3 343.383 3.335 20 10 EGCDHM Cc1cc(Br)cc([C@H](C)N[C@@H](C)c2ncn(C)n2)c1[O-] ZINC000275789436 456314981 /nfs/dbraw/zinc/31/49/81/456314981.db2.gz WYEZMMIUVACQRS-UWVGGRQHSA-N -1 3 339.237 3.003 20 10 EGCDHM CCCOc1ccc(CN[C@@H](C)c2noc(COC(C)C)n2)c([O-])c1 ZINC000290892904 456459846 /nfs/dbraw/zinc/45/98/46/456459846.db2.gz LLCQJVFAOBMJEO-ZDUSSCGKSA-N -1 3 349.431 3.340 20 10 EGCDHM CCN(CC)Cc1cccc(NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000276533219 456507593 /nfs/dbraw/zinc/50/75/93/456507593.db2.gz FAMARDVZHYFCRF-UHFFFAOYSA-N -1 3 332.375 3.331 20 10 EGCDHM COCCn1cc(CN[C@H](C)c2ccc(Cl)c(Cl)c2[O-])cn1 ZINC000282452675 456518936 /nfs/dbraw/zinc/51/89/36/456518936.db2.gz FLNVDDQPJYNCOJ-SNVBAGLBSA-N -1 3 344.242 3.393 20 10 EGCDHM CCCCN(Cc1ccccc1[O-])[C@H](C(=O)OC)c1cccnc1 ZINC000282544207 456547608 /nfs/dbraw/zinc/54/76/08/456547608.db2.gz WJBZFSOKOGXRII-SFHVURJKSA-N -1 3 328.412 3.304 20 10 EGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@@H]1CC=CCC1 ZINC000277376031 456801061 /nfs/dbraw/zinc/80/10/61/456801061.db2.gz OPMAOFISPZIECW-GFCCVEGCSA-N -1 3 334.803 3.166 20 10 EGCDHM Cc1ccc([C@H](NC(=O)c2cccc(O)c2[O-])c2ccccn2)cc1 ZINC000366251613 457802543 /nfs/dbraw/zinc/80/25/43/457802543.db2.gz WMAIFTNUHZWEMR-SFHVURJKSA-N -1 3 334.375 3.321 20 10 EGCDHM Cc1cc(Br)cc(CN2CCC[C@@H]2c2ncon2)c1[O-] ZINC000362045202 458023174 /nfs/dbraw/zinc/02/31/74/458023174.db2.gz KXPRUVXTDMAYBB-GFCCVEGCSA-N -1 3 338.205 3.183 20 10 EGCDHM O=C(NCc1ccc(N2CCCCCC2)nc1)c1cc([O-])cs1 ZINC000731871374 575213745 /nfs/dbraw/zinc/21/37/45/575213745.db2.gz DYLARROCDSUTBR-UHFFFAOYSA-N -1 3 331.441 3.159 20 10 EGCDHM Cc1ccc([C@@H](CNC(=O)c2cc([O-])cs2)N2CCCC2)cc1 ZINC000731872949 575214088 /nfs/dbraw/zinc/21/40/88/575214088.db2.gz UOBQKCSMCXBSFX-MRXNPFEDSA-N -1 3 330.453 3.329 20 10 EGCDHM O=C(NCc1cc(Br)ccc1F)c1cc([O-])cs1 ZINC000731868472 575216577 /nfs/dbraw/zinc/21/65/77/575216577.db2.gz FXACECDMEQGHFE-UHFFFAOYSA-N -1 3 330.178 3.285 20 10 EGCDHM CC(C)[C@@H](NC(=O)c1cc([O-])cs1)c1ccc2c(c1)OCCO2 ZINC000732267226 575250759 /nfs/dbraw/zinc/25/07/59/575250759.db2.gz UWJXTKORBVCKHB-MRXNPFEDSA-N -1 3 333.409 3.352 20 10 EGCDHM O=C(Nc1nnc(Cc2ccccc2F)s1)c1cc([O-])cs1 ZINC000732290118 575255878 /nfs/dbraw/zinc/25/58/78/575255878.db2.gz JBWZZZASYIDHHY-UHFFFAOYSA-N -1 3 335.385 3.287 20 10 EGCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000732352714 575261369 /nfs/dbraw/zinc/26/13/69/575261369.db2.gz CWIVYXGGENSZJA-WHOFXGATSA-N -1 3 339.457 3.330 20 10 EGCDHM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354523 575261661 /nfs/dbraw/zinc/26/16/61/575261661.db2.gz UFUZLIZKBBXPMB-RYUDHWBXSA-N -1 3 333.409 3.185 20 10 EGCDHM CCC[N@H+](Cc1ccccc1[O-])Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736481081 575973019 /nfs/dbraw/zinc/97/30/19/575973019.db2.gz SQUHVEYAVMBPKV-UHFFFAOYSA-N -1 3 341.390 3.124 20 10 EGCDHM CCC[N@@H+](Cc1ccccc1[O-])Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736481081 575973021 /nfs/dbraw/zinc/97/30/21/575973021.db2.gz SQUHVEYAVMBPKV-UHFFFAOYSA-N -1 3 341.390 3.124 20 10 EGCDHM Cc1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)oc1C(=O)[O-] ZINC000738382621 576320104 /nfs/dbraw/zinc/32/01/04/576320104.db2.gz LEPMVFHTTKRYPQ-HNNXBMFYSA-N -1 3 345.395 3.173 20 10 EGCDHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([O-])cs1 ZINC000740939847 576638334 /nfs/dbraw/zinc/63/83/34/576638334.db2.gz LURMPFODXZUCFU-CQSZACIVSA-N -1 3 330.453 3.190 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])ccc3ccncc32)C[C@H](C(F)(F)F)O1 ZINC000744444506 576828632 /nfs/dbraw/zinc/82/86/32/576828632.db2.gz PLTIIGLWERBLEP-ZUZCIYMTSA-N -1 3 326.318 3.092 20 10 EGCDHM O=[N+]([O-])c1cccc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC000768899669 1303009590 /nfs/dbraw/zinc/00/95/90/1303009590.db2.gz FWUMFODBNCRBFB-UHFFFAOYSA-N -1 3 347.802 3.276 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000833908816 1293069100 /nfs/dbraw/zinc/06/91/00/1293069100.db2.gz PFOAXGQKUYMGAJ-CYBMUJFWSA-N -1 3 342.351 3.026 20 10 EGCDHM C[C@@H](NCc1nn(C)cc1Cl)c1cc(Br)ccc1[O-] ZINC000834884000 1293163477 /nfs/dbraw/zinc/16/34/77/1293163477.db2.gz VXKOIOHCUMXMRS-MRVPVSSYSA-N -1 3 344.640 3.392 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](OCC(C)C)C2)c1[O-] ZINC000120059244 1293301510 /nfs/dbraw/zinc/30/15/10/1293301510.db2.gz JPDZBVDXDZPDJI-HNNXBMFYSA-N -1 3 325.836 3.495 20 10 EGCDHM CN(Cc1ccc(Br)cc1)C(=O)c1cccc(O)c1[O-] ZINC000126175206 1293526906 /nfs/dbraw/zinc/52/69/06/1293526906.db2.gz SZDQHPSQRDIHBU-UHFFFAOYSA-N -1 3 336.185 3.133 20 10 EGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(C)c(C)c1O ZINC000187060063 1295365901 /nfs/dbraw/zinc/36/59/01/1295365901.db2.gz CDPDWMKILIZMHC-UHFFFAOYSA-N -1 3 327.352 3.396 20 10 EGCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(CC(F)(F)F)cc1 ZINC000189225175 1295508844 /nfs/dbraw/zinc/50/88/44/1295508844.db2.gz WAIMMJBQQYGWRC-UHFFFAOYSA-N -1 3 331.315 3.298 20 10 EGCDHM COc1cc(F)cc2sc(NC(=O)c3cccc(O)c3[O-])nc21 ZINC000193021360 1295826333 /nfs/dbraw/zinc/82/63/33/1295826333.db2.gz UFKAFNKXTDZRRX-UHFFFAOYSA-N -1 3 334.328 3.108 20 10 EGCDHM O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)c1cccc(O)c1[O-] ZINC000193165054 1295839668 /nfs/dbraw/zinc/83/96/68/1295839668.db2.gz TTYNNLVSQQUIGB-IBGZPJMESA-N -1 3 349.386 3.228 20 10 EGCDHM CCc1nc(C)c(CNCc2cccc(Br)c2[O-])o1 ZINC000311751804 1297111728 /nfs/dbraw/zinc/11/17/28/1297111728.db2.gz JBKSVOHRQQSMHL-UHFFFAOYSA-N -1 3 325.206 3.303 20 10 EGCDHM COC(=O)C[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000748049733 1298917422 /nfs/dbraw/zinc/91/74/22/1298917422.db2.gz PMGGWXAOJBIBST-AWEZNQCLSA-N -1 3 339.819 3.166 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccnc2OC(C)C)c1 ZINC000756419224 1300487141 /nfs/dbraw/zinc/48/71/41/1300487141.db2.gz DOIQHRXJSOSYKX-ZDUSSCGKSA-N -1 3 344.411 3.212 20 10 EGCDHM O=C1CCCN1C[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000882896800 1302152558 /nfs/dbraw/zinc/15/25/58/1302152558.db2.gz RIHAFCQBHXVNGL-QGZVFWFLSA-N -1 3 346.377 3.124 20 10 EGCDHM CC(C)OC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000768993434 1303028870 /nfs/dbraw/zinc/02/88/70/1303028870.db2.gz WJRLNRNOEBKVGA-UHFFFAOYSA-N -1 3 328.796 3.343 20 10 EGCDHM CN(Cc1nccn1CC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000769314120 1303090997 /nfs/dbraw/zinc/09/09/97/1303090997.db2.gz DXQVZWUSASCKNO-UHFFFAOYSA-N -1 3 333.741 3.436 20 10 EGCDHM COc1ccc2c(c1)nc(CNCc1cc(Cl)cc(F)c1[O-])n2C ZINC000770666095 1303303085 /nfs/dbraw/zinc/30/30/85/1303303085.db2.gz TWTJPAKTQAJTSL-UHFFFAOYSA-N -1 3 349.793 3.370 20 10 EGCDHM Cc1ccc(CN2CC[C@H](N[C@@H](C)c3c([O-])cccc3F)C2=O)cc1 ZINC000886598602 1303517263 /nfs/dbraw/zinc/51/72/63/1303517263.db2.gz GCWIHFIVSUNWGJ-YOEHRIQHSA-N -1 3 342.414 3.291 20 10 EGCDHM CCS(=O)(=O)c1ccc(CN[C@@H](C)c2c([O-])cccc2F)s1 ZINC000886603132 1303519411 /nfs/dbraw/zinc/51/94/11/1303519411.db2.gz HULNCDRNRQWUSA-JTQLQIEISA-N -1 3 343.445 3.237 20 10 EGCDHM COc1c([O-])c(CN[C@@H]2CSc3ccccc32)ccc1[N+](=O)[O-] ZINC000775029294 1303891891 /nfs/dbraw/zinc/89/18/91/1303891891.db2.gz ZXLWZCUMVDZBCO-GFCCVEGCSA-N -1 3 332.381 3.246 20 10 EGCDHM O=C(NCc1ccc(O)c(O)c1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000778917984 1304507946 /nfs/dbraw/zinc/50/79/46/1304507946.db2.gz BQWOTXYSIOWQFW-UHFFFAOYSA-N -1 3 349.386 3.324 20 10 EGCDHM CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000787699077 1305778684 /nfs/dbraw/zinc/77/86/84/1305778684.db2.gz BBQNFGUOTBMJPY-UHFFFAOYSA-N -1 3 343.383 3.108 20 10 EGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000790705522 1308855128 /nfs/dbraw/zinc/85/51/28/1308855128.db2.gz YBNJIJYGERRUNV-MRVPVSSYSA-N -1 3 331.759 3.119 20 10 EGCDHM [O-]c1cccc(Cl)c1CN(CCO)Cc1cccnc1Cl ZINC000793367360 1309354733 /nfs/dbraw/zinc/35/47/33/1309354733.db2.gz XEPOQSZZHHKPNU-UHFFFAOYSA-N -1 3 327.211 3.089 20 10 EGCDHM Cc1nc(CC2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)no1 ZINC000896550308 1309910994 /nfs/dbraw/zinc/91/09/94/1309910994.db2.gz UQQHBTPOHILGHN-UHFFFAOYSA-N -1 3 339.798 3.331 20 10 EGCDHM CC[C@@H](NCc1ncnn1-c1ccccc1)c1ccc(F)cc1[O-] ZINC000796973675 1310118773 /nfs/dbraw/zinc/11/87/73/1310118773.db2.gz RCKVMIAQJRCRBN-MRXNPFEDSA-N -1 3 326.375 3.353 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(c3ccnc(F)c3)CC2)cc1Cl ZINC000826062286 1320381887 /nfs/dbraw/zinc/38/18/87/1320381887.db2.gz OXQWKPIXTRVWKU-UHFFFAOYSA-N -1 3 335.810 3.210 20 10 EGCDHM CN(Cc1cc(Cl)c(F)cc1[O-])C[C@H]1COc2ccccc2O1 ZINC000816481729 1319163853 /nfs/dbraw/zinc/16/38/53/1319163853.db2.gz GYGNULJEFBELHR-LBPRGKRZSA-N -1 3 337.778 3.457 20 10 EGCDHM COc1cccc(OC)c1CNCc1cc(Cl)c(F)cc1[O-] ZINC000826919803 1320414306 /nfs/dbraw/zinc/41/43/06/1320414306.db2.gz ALUZSWMWEJBCBY-UHFFFAOYSA-N -1 3 325.767 3.492 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](CCO)c2ccccc2F)c1 ZINC000842922310 1321449064 /nfs/dbraw/zinc/44/90/64/1321449064.db2.gz BEZAYCXIYCNMRL-SJKOYZFVSA-N -1 3 347.386 3.092 20 10 EGCDHM Cc1cc(NCc2c([O-])cccc2Cl)ccc1N1CCOCC1=O ZINC000922915070 1322648020 /nfs/dbraw/zinc/64/80/20/1322648020.db2.gz FJUJGEFPWUDCFS-UHFFFAOYSA-N -1 3 346.814 3.329 20 10 EGCDHM COc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1F ZINC000855742192 1325412685 /nfs/dbraw/zinc/41/26/85/1325412685.db2.gz JWXGWGVCBSVADX-CQSZACIVSA-N -1 3 331.343 3.223 20 10 EGCDHM CCN(CC)c1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000862432607 1329486102 /nfs/dbraw/zinc/48/61/02/1329486102.db2.gz KFGXMXBXPHGKQZ-UHFFFAOYSA-N -1 3 328.460 3.362 20 10 EGCDHM COc1cc(OC)c2c(c1)N(C(=O)c1ccc(C)c(O)c1[O-])CCC2 ZINC000862776280 1329508357 /nfs/dbraw/zinc/50/83/57/1329508357.db2.gz VIKPIRWCEDYNTQ-UHFFFAOYSA-N -1 3 343.379 3.016 20 10 EGCDHM Cc1cc([O-])c(CN2CCNC(=O)[C@H]2c2ccccc2C)cc1Cl ZINC000863949297 1329591145 /nfs/dbraw/zinc/59/11/45/1329591145.db2.gz CYIGOOUNDFFEQK-GOSISDBHSA-N -1 3 344.842 3.336 20 10 EGCDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000933171820 1329869072 /nfs/dbraw/zinc/86/90/72/1329869072.db2.gz DWYHGGKBYOZGOK-ZYHUDNBSSA-N -1 3 339.819 3.022 20 10 EGCDHM [O-]c1cc(Br)cc(F)c1CN1CCC[C@@]2(CCOC2)C1 ZINC001233028485 1376556564 /nfs/dbraw/zinc/55/65/64/1376556564.db2.gz OTJWHGLQSWAKFL-OAHLLOKOSA-N -1 3 344.224 3.296 20 10 EGCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@@]2(C1)CCCOC2 ZINC001233029843 1376557920 /nfs/dbraw/zinc/55/79/20/1376557920.db2.gz KBTXHYXUTYYBKQ-OAHLLOKOSA-N -1 3 344.224 3.296 20 10 EGCDHM CC(C)C[C@](C)(O)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001183971414 1387377046 /nfs/dbraw/zinc/37/70/46/1387377046.db2.gz UIRCUGFEHRYKAR-KRWDZBQOSA-N -1 3 336.819 3.007 20 10 EGCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])CC2(CCC2)O1 ZINC001347400081 1391069499 /nfs/dbraw/zinc/06/94/99/1391069499.db2.gz CHQFLZCIMLSODY-LLVKDONJSA-N -1 3 326.234 3.298 20 10 EGCDHM COc1ccc2c(c1NC(=O)c1ccc([O-])c(O)c1Cl)C(=O)CC2 ZINC001193230053 1367972051 /nfs/dbraw/zinc/97/20/51/1367972051.db2.gz PINZPJMTXQGUIA-UHFFFAOYSA-N -1 3 347.754 3.141 20 10 EGCDHM CC(C)COC(=O)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001193840007 1368127647 /nfs/dbraw/zinc/12/76/47/1368127647.db2.gz LGGJWPOKEIVTDM-UHFFFAOYSA-N -1 3 339.347 3.372 20 10 EGCDHM CC(C)(C)OC(=O)N1CC2(CCN2Cc2cc(Cl)ccc2[O-])C1 ZINC001203651300 1370201300 /nfs/dbraw/zinc/20/13/00/1370201300.db2.gz MFZVORMVCDRYBH-UHFFFAOYSA-N -1 3 338.835 3.241 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCN(CCOc2ccccc2)CC1 ZINC001203657273 1370203536 /nfs/dbraw/zinc/20/35/36/1370203536.db2.gz JDEAHPPIVQCVLW-UHFFFAOYSA-N -1 3 346.858 3.242 20 10 EGCDHM CC(C)Oc1cccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1 ZINC001215325132 1373197650 /nfs/dbraw/zinc/19/76/50/1373197650.db2.gz CMTGDBOMJAGSPX-UHFFFAOYSA-N -1 3 328.324 3.308 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(F)c(F)cc2Cl)no1 ZINC001215325141 1373197912 /nfs/dbraw/zinc/19/79/12/1373197912.db2.gz DDCPVEBOCODIQO-UHFFFAOYSA-N -1 3 340.669 3.452 20 10 EGCDHM COc1ncc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)cc1C ZINC001216954077 1373369921 /nfs/dbraw/zinc/36/99/21/1373369921.db2.gz NYVBBKIPIZMWBZ-UHFFFAOYSA-N -1 3 333.731 3.180 20 10 EGCDHM CCCOC[C@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380103 1375249131 /nfs/dbraw/zinc/24/91/31/1375249131.db2.gz NGTUXZLENSRYMT-LBPRGKRZSA-N -1 3 340.375 3.362 20 10 EGCDHM COC(CN(Cc1ccccc1)Cc1ccc(F)c(F)c1[O-])OC ZINC001233074363 1376562639 /nfs/dbraw/zinc/56/26/39/1376562639.db2.gz OIZWQACHCFCPPG-UHFFFAOYSA-N -1 3 337.366 3.292 20 10 EGCDHM Cc1cccnc1N1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077641 1376565649 /nfs/dbraw/zinc/56/56/49/1376565649.db2.gz VAOBDPYSFIBUQG-UHFFFAOYSA-N -1 3 333.382 3.086 20 10 EGCDHM C[C@@](O)(C1CCN(Cc2c([O-])ccc(F)c2F)CC1)C(F)(F)F ZINC001233335957 1376617919 /nfs/dbraw/zinc/61/79/19/1376617919.db2.gz SLTPNYPHEJLZGJ-CQSZACIVSA-N -1 3 339.304 3.196 20 10 EGCDHM COc1ccccc1O[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233334767 1376618521 /nfs/dbraw/zinc/61/85/21/1376618521.db2.gz SIONHXBQWALWRM-GFCCVEGCSA-N -1 3 335.350 3.332 20 10 EGCDHM CCCc1noc([C@@H]2CCCN(Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233335441 1376618653 /nfs/dbraw/zinc/61/86/53/1376618653.db2.gz VNMJEYMKFONIJB-LLVKDONJSA-N -1 3 337.370 3.386 20 10 EGCDHM COc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(Cl)c1[O-] ZINC001233401154 1376639424 /nfs/dbraw/zinc/63/94/24/1376639424.db2.gz NWRCJEFGEKCHIO-UHFFFAOYSA-N -1 3 349.814 3.414 20 10 EGCDHM C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1cccc(F)c1[O-] ZINC001138128548 1377681729 /nfs/dbraw/zinc/68/17/29/1377681729.db2.gz QRYKTFUHUSPZSJ-OCCSQVGLSA-N -1 3 338.423 3.409 20 10 EGCDHM CO[C@H](CN1CCN(Cc2cccc(F)c2[O-])CC1)c1ccccc1 ZINC001138129485 1377682798 /nfs/dbraw/zinc/68/27/98/1377682798.db2.gz GMHXRGZRPSCUHS-LJQANCHMSA-N -1 3 344.430 3.037 20 10 EGCDHM CN(CC(=O)c1ccccc1)Cc1c([O-])cccc1Br ZINC001140103034 1378008561 /nfs/dbraw/zinc/00/85/61/1378008561.db2.gz FHXOXMQNIMPNAK-UHFFFAOYSA-N -1 3 334.213 3.469 20 10 EGCDHM COC(=O)[C@H](Cc1ccccc1)N(C)Cc1ccc(Cl)cc1[O-] ZINC001140466122 1378068176 /nfs/dbraw/zinc/06/81/76/1378068176.db2.gz XSODXWRZQKKUQO-INIZCTEOSA-N -1 3 333.815 3.262 20 10 EGCDHM C[C@@H]1CC[C@@H](CO)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367557 1378311883 /nfs/dbraw/zinc/31/18/83/1378311883.db2.gz FTQKSKDAJAZBSP-NXEZZACHSA-N -1 3 348.668 3.401 20 10 EGCDHM CCO[C@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299613 1378712689 /nfs/dbraw/zinc/71/26/89/1378712689.db2.gz CFZFYUUPTPBOTJ-NSHDSACASA-N -1 3 332.213 3.295 20 10 EGCDHM O=C(Nc1nc(Cl)c(Cl)nc1Cl)c1cccc(O)c1[O-] ZINC001148212100 1379134514 /nfs/dbraw/zinc/13/45/14/1379134514.db2.gz MCWUSVFGDIWPGC-UHFFFAOYSA-N -1 3 334.546 3.100 20 10 EGCDHM Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)cc(C(F)(F)F)c1 ZINC001148587024 1379218448 /nfs/dbraw/zinc/21/84/48/1379218448.db2.gz AMAVNXUXXOACTB-UHFFFAOYSA-N -1 3 327.258 3.383 20 10 EGCDHM COCc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001157727939 1381017438 /nfs/dbraw/zinc/01/74/38/1381017438.db2.gz SOHLYHUSIIBUJI-UHFFFAOYSA-N -1 3 330.775 3.142 20 10 EGCDHM [O-]c1cc2ccccc2cc1CN[C@H](F)Oc1cncc(Cl)n1 ZINC001160205860 1382033344 /nfs/dbraw/zinc/03/33/44/1382033344.db2.gz AOONAEGKOBCJRF-INIZCTEOSA-N -1 3 333.750 3.411 20 10 EGCDHM [O-]c1c(CNc2c[n+]([O-])ccc2Cl)cc(Cl)c2cccnc12 ZINC001168522232 1383929913 /nfs/dbraw/zinc/92/99/13/1383929913.db2.gz BWIGKFCAUGTVLQ-UHFFFAOYSA-N -1 3 336.178 3.493 20 10 EGCDHM [O-]c1c(CNc2nccc3nc[nH]c32)cc(Cl)c2cccnc12 ZINC001168528212 1383930660 /nfs/dbraw/zinc/93/06/60/1383930660.db2.gz QBKCVJHNJXVWRQ-UHFFFAOYSA-N -1 3 325.759 3.477 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CC12CCOCC2 ZINC001179317437 1386450208 /nfs/dbraw/zinc/45/02/08/1386450208.db2.gz ORQDKOKJRKSMJN-CYBMUJFWSA-N -1 3 346.814 3.027 20 10 EGCDHM CCN(Cc1ccccc1)c1ccc(CN[C@@H](CF)C(=O)[O-])cc1 ZINC001596371620 983871154 /nfs/dbraw/zinc/87/11/54/983871154.db2.gz STXFEFFKXYHXRF-SFHVURJKSA-N -1 3 330.403 3.225 20 10 EGCDHM CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](C)c3cc(C(=O)[O-])ccc3[O-])C2)n1 ZINC001597748703 989135210 /nfs/dbraw/zinc/13/52/10/989135210.db2.gz PUZHYZDBIMWKCG-WZRBSPASSA-N -1 3 345.399 3.023 20 10 EGCDHM C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1C(=O)[O-] ZINC001599866641 989275283 /nfs/dbraw/zinc/27/52/83/989275283.db2.gz TUWBGTKSKUZRRB-RDTXWAMCSA-N -1 3 341.407 3.124 20 10 EGCDHM C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H]1C(=O)[O-] ZINC001599866641 989275294 /nfs/dbraw/zinc/27/52/94/989275294.db2.gz TUWBGTKSKUZRRB-RDTXWAMCSA-N -1 3 341.407 3.124 20 10 EGCDHM C[C@@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593250200 994484018 /nfs/dbraw/zinc/48/40/18/994484018.db2.gz SCYOVELIXBKXBS-FZKQIMNGSA-N -1 3 333.428 3.480 20 10 EGCDHM C[C@@H](NCc1ccc2c(n1)CCCC2)c1cc(C(=O)[O-])ccc1O ZINC001593305343 994762753 /nfs/dbraw/zinc/76/27/53/994762753.db2.gz YGLDTAPWWOWVEB-GFCCVEGCSA-N -1 3 326.396 3.215 20 10 EGCDHM CC(=O)NCCN(Cc1ccsc1)Cc1c([O-])cccc1Cl ZINC000283034692 456695264 /nfs/dbraw/zinc/69/52/64/456695264.db2.gz NJRFNUFRIBSSCQ-UHFFFAOYSA-N -1 3 338.860 3.245 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCOCC2(CCOCC2)C1 ZINC000183267584 455265712 /nfs/dbraw/zinc/26/57/12/455265712.db2.gz ULDJRIRYFYCLSI-UHFFFAOYSA-N -1 3 346.254 3.328 20 10 EGCDHM CCCCc1nc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)no1 ZINC000069707595 454136582 /nfs/dbraw/zinc/13/65/82/454136582.db2.gz BKFARLMWKDMEQZ-INIZCTEOSA-N -1 3 345.443 3.299 20 10 EGCDHM COc1ccc(CNC(=O)CN[C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000120023921 454249399 /nfs/dbraw/zinc/24/93/99/454249399.db2.gz ZNWRCXGODNYKDA-GFCCVEGCSA-N -1 3 348.830 3.021 20 10 EGCDHM COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000109769640 454836123 /nfs/dbraw/zinc/83/61/23/454836123.db2.gz NWVJVQJHWIHZLD-GJZGRUSLSA-N -1 3 342.439 3.099 20 10 EGCDHM COCCCn1c(C)cc(C(=O)CN(C)Cc2ccccc2[O-])c1C ZINC000111235726 454859159 /nfs/dbraw/zinc/85/91/59/454859159.db2.gz HIYWPVRAJGTTKJ-UHFFFAOYSA-N -1 3 344.455 3.162 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(N3CCSCC3)cc2)c([O-])c1O ZINC000179514602 455053815 /nfs/dbraw/zinc/05/38/15/455053815.db2.gz IOFSQCAEGMGANG-UHFFFAOYSA-N -1 3 344.436 3.212 20 10 EGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000189429440 455195317 /nfs/dbraw/zinc/19/53/17/455195317.db2.gz VVFIOBNJSNWSSP-NSHDSACASA-N -1 3 333.409 3.079 20 10 EGCDHM COc1ccc(CCCN(C)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000182163457 455450534 /nfs/dbraw/zinc/45/05/34/455450534.db2.gz MIIZEOUWKFPHBQ-UHFFFAOYSA-N -1 3 329.396 3.120 20 10 EGCDHM C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000185179702 455516882 /nfs/dbraw/zinc/51/68/82/455516882.db2.gz FHKPLUMVQAPMRL-ZCFIWIBFSA-N -1 3 345.148 3.028 20 10 EGCDHM COC(=O)C[C@@](C)(NCc1cccc(Cl)c1[O-])c1ccncc1 ZINC000191904314 455530037 /nfs/dbraw/zinc/53/00/37/455530037.db2.gz ZOKCGUQSGZPJBN-QGZVFWFLSA-N -1 3 334.803 3.009 20 10 EGCDHM C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CC[S@@](=O)C1 ZINC000277569235 455601386 /nfs/dbraw/zinc/60/13/86/455601386.db2.gz SMLLWYOSWKZCJL-NPMXOYFQSA-N -1 3 329.465 3.260 20 10 EGCDHM CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1cccc(O)c1[O-] ZINC000185824345 455628846 /nfs/dbraw/zinc/62/88/46/455628846.db2.gz GQKSNGRKTJZNNK-QGZVFWFLSA-N -1 3 347.386 3.069 20 10 EGCDHM CCNC(=O)COc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000186263066 455728643 /nfs/dbraw/zinc/72/86/43/455728643.db2.gz NZHHNUFTEJRRRD-GFCCVEGCSA-N -1 3 332.375 3.219 20 10 EGCDHM COc1ccc([C@@H](CN(C)C)NCc2cccc(Cl)c2[O-])cc1 ZINC000284900072 455758760 /nfs/dbraw/zinc/75/87/60/455758760.db2.gz FTABJYHAQQVSNE-QGZVFWFLSA-N -1 3 334.847 3.447 20 10 EGCDHM C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(O)c3[O-])n2)C1 ZINC000186829526 455841760 /nfs/dbraw/zinc/84/17/60/455841760.db2.gz STWTVBPEJMHDEW-LLVKDONJSA-N -1 3 347.440 3.039 20 10 EGCDHM C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187762757 455950470 /nfs/dbraw/zinc/95/04/70/455950470.db2.gz ICJDTHDKYZKVEE-XHDPSFHLSA-N -1 3 332.350 3.127 20 10 EGCDHM CCOCCOCc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000272730386 456054100 /nfs/dbraw/zinc/05/41/00/456054100.db2.gz GXDQYDRTOLSYCX-UHFFFAOYSA-N -1 3 345.395 3.212 20 10 EGCDHM CCN(Cc1c(C)cnn1C)Cc1cc(Br)ccc1[O-] ZINC000289302205 456120524 /nfs/dbraw/zinc/12/05/24/456120524.db2.gz RBYCXWQRQBZODJ-UHFFFAOYSA-N -1 3 338.249 3.219 20 10 EGCDHM CCCOc1ncccc1CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273423050 456230082 /nfs/dbraw/zinc/23/00/82/456230082.db2.gz SNCXBBICNIPXLW-CYBMUJFWSA-N -1 3 344.411 3.213 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(C(=O)N(C)C)c2)c1 ZINC000273488724 456235197 /nfs/dbraw/zinc/23/51/97/456235197.db2.gz WFBQQVQPSHVZNP-LBPRGKRZSA-N -1 3 342.395 3.054 20 10 EGCDHM CC[C@H](N[C@H](C)c1ncn(C)n1)c1cc(Br)ccc1[O-] ZINC000275764649 456306503 /nfs/dbraw/zinc/30/65/03/456306503.db2.gz UAVDMVKAQQKWJJ-SKDRFNHKSA-N -1 3 339.237 3.085 20 10 EGCDHM CCCCN(Cc1noc(C2CCOCC2)n1)Cc1ccccc1[O-] ZINC000282429180 456510268 /nfs/dbraw/zinc/51/02/68/456510268.db2.gz KAQSLEMTYBBBAP-UHFFFAOYSA-N -1 3 345.443 3.472 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(C)cc(Cl)n2)c1 ZINC000282456798 456520754 /nfs/dbraw/zinc/52/07/54/456520754.db2.gz FTDMPAZDYMEMIZ-NSHDSACASA-N -1 3 334.803 3.386 20 10 EGCDHM COCCn1cc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])cn1 ZINC000282490043 456529926 /nfs/dbraw/zinc/52/99/26/456529926.db2.gz HQVHHGDOGVPCLT-JTQLQIEISA-N -1 3 344.242 3.393 20 10 EGCDHM CN1Cc2ccccc2[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000378274353 457386327 /nfs/dbraw/zinc/38/63/27/457386327.db2.gz TWDPFOJZBWWPJA-HNNXBMFYSA-N -1 3 347.802 3.230 20 10 EGCDHM COc1ccccc1-c1noc([C@H](C)NCc2ccccc2[O-])n1 ZINC000364300657 457554716 /nfs/dbraw/zinc/55/47/16/457554716.db2.gz LSYSHGVTWUAVRN-LBPRGKRZSA-N -1 3 325.368 3.302 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000370214901 457587850 /nfs/dbraw/zinc/58/78/50/457587850.db2.gz ISLKXKMCUWCRQX-ZDUSSCGKSA-N -1 3 347.846 3.046 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC(c3c[nH]nc3C)CC2)c1[O-] ZINC000375350457 457892283 /nfs/dbraw/zinc/89/22/83/457892283.db2.gz WIBIZPBIAKLGBT-UHFFFAOYSA-N -1 3 331.391 3.145 20 10 EGCDHM COc1cccc([C@@H]2CN(C(=O)c3cccc(O)c3[O-])CC2(C)C)c1 ZINC000529729899 459836088 /nfs/dbraw/zinc/83/60/88/459836088.db2.gz UYQPSILQNXGTFD-INIZCTEOSA-N -1 3 341.407 3.372 20 10 EGCDHM O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc([O-])cs1 ZINC000731869752 575213700 /nfs/dbraw/zinc/21/37/00/575213700.db2.gz DWDWYSMWFAWZJU-MRXNPFEDSA-N -1 3 331.393 3.106 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000731867650 575216183 /nfs/dbraw/zinc/21/61/83/575216183.db2.gz YZZPVVXFUNMCLD-UHFFFAOYSA-N -1 3 325.393 3.260 20 10 EGCDHM COc1cccc([O-])c1CNCC(=O)Nc1cccc2ccccc21 ZINC000732230818 575247116 /nfs/dbraw/zinc/24/71/16/575247116.db2.gz BEFYTQKLCFMMFP-UHFFFAOYSA-N -1 3 336.391 3.282 20 10 EGCDHM O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cc([O-])cs1 ZINC000732279901 575254157 /nfs/dbraw/zinc/25/41/57/575254157.db2.gz SMVSMQDTRYVFQF-UHFFFAOYSA-N -1 3 330.409 3.219 20 10 EGCDHM CC(C)N(CCCNC(=O)c1cc([O-])cs1)C(=O)OC(C)(C)C ZINC000732286930 575255283 /nfs/dbraw/zinc/25/52/83/575255283.db2.gz LPLUDSJMAOVLRG-UHFFFAOYSA-N -1 3 342.461 3.219 20 10 EGCDHM CCc1cc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)ncn1 ZINC000733191975 575319157 /nfs/dbraw/zinc/31/91/57/575319157.db2.gz VBFSBJCKBWNTFH-INIZCTEOSA-N -1 3 346.862 3.475 20 10 EGCDHM CCCNC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092734119 1292887995 /nfs/dbraw/zinc/88/79/95/1292887995.db2.gz XICNNYKXMBNIFW-NSHDSACASA-N -1 3 345.270 3.437 20 10 EGCDHM C[C@H](c1cccnc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093413320 1292921059 /nfs/dbraw/zinc/92/10/59/1292921059.db2.gz LJGBPLNAVWUIQU-CQSZACIVSA-N -1 3 331.847 3.319 20 10 EGCDHM C[C@H](NCc1nn(C)cc1Cl)c1ccc(Br)cc1[O-] ZINC000834881868 1293162789 /nfs/dbraw/zinc/16/27/89/1293162789.db2.gz CMHSDXVGLPDZJU-QMMMGPOBSA-N -1 3 344.640 3.392 20 10 EGCDHM CN(Cc1ccccc1Br)C(=O)c1cccc(O)c1[O-] ZINC000126175680 1293526561 /nfs/dbraw/zinc/52/65/61/1293526561.db2.gz XKWZPMZBMQWPPY-UHFFFAOYSA-N -1 3 336.185 3.133 20 10 EGCDHM O=C(Nc1cc(Br)ccc1F)c1cccc(O)c1[O-] ZINC000126260242 1293529493 /nfs/dbraw/zinc/52/94/93/1293529493.db2.gz VXGUALYAXMGXLR-UHFFFAOYSA-N -1 3 326.121 3.252 20 10 EGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1O ZINC000136488161 1293817253 /nfs/dbraw/zinc/81/72/53/1293817253.db2.gz PUZNHVXYUYVSQX-UHFFFAOYSA-N -1 3 347.314 3.400 20 10 EGCDHM Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c([O-])c1O ZINC000182189397 1295025840 /nfs/dbraw/zinc/02/58/40/1295025840.db2.gz ZNTRSTAMSHEGSU-UHFFFAOYSA-N -1 3 326.352 3.317 20 10 EGCDHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C12CCCCC2 ZINC000187131173 1295369715 /nfs/dbraw/zinc/36/97/15/1295369715.db2.gz WAUOCHFFOKRIPA-JKSUJKDBSA-N -1 3 333.428 3.298 20 10 EGCDHM O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cccc(O)c1[O-] ZINC000192987834 1295822302 /nfs/dbraw/zinc/82/23/02/1295822302.db2.gz SENSKFXDXAOLFQ-UHFFFAOYSA-N -1 3 346.346 3.060 20 10 EGCDHM COC(=O)CN(Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CC1 ZINC000751952303 1299663545 /nfs/dbraw/zinc/66/35/45/1299663545.db2.gz JBGQFYUVCTYCBV-UHFFFAOYSA-N -1 3 329.396 3.155 20 10 EGCDHM C[C@H](NCc1n[nH]cc1Br)c1cc(Cl)ccc1[O-] ZINC000756584013 1300526754 /nfs/dbraw/zinc/52/67/54/1300526754.db2.gz DFJLZAWXKQFSGD-ZETCQYMHSA-N -1 3 330.613 3.382 20 10 EGCDHM Cc1cc(CN[C@H](C)c2cc(Br)cc(F)c2[O-])[nH]n1 ZINC000756584315 1300527037 /nfs/dbraw/zinc/52/70/37/1300527037.db2.gz FFADTWSOEFBFIP-MRVPVSSYSA-N -1 3 328.185 3.176 20 10 EGCDHM C[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756852075 1300576465 /nfs/dbraw/zinc/57/64/65/1300576465.db2.gz ZJBDCJBPURKLCK-LLVKDONJSA-N -1 3 342.351 3.369 20 10 EGCDHM CCOC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccccc1 ZINC000879976367 1300817470 /nfs/dbraw/zinc/81/74/70/1300817470.db2.gz OZQWKCBZTNHAAX-QGZVFWFLSA-N -1 3 345.370 3.128 20 10 EGCDHM COCCOc1c(Cl)cccc1NC(=O)c1cccc(O)c1[O-] ZINC000776637156 1304181477 /nfs/dbraw/zinc/18/14/77/1304181477.db2.gz RZGVNKIOCUAOGI-UHFFFAOYSA-N -1 3 337.759 3.029 20 10 EGCDHM O=C(NC1(c2cccc(Br)c2)CC1)c1cccc(O)c1[O-] ZINC000776662266 1304182558 /nfs/dbraw/zinc/18/25/58/1304182558.db2.gz XLVQGLFSRWVGBN-UHFFFAOYSA-N -1 3 348.196 3.279 20 10 EGCDHM Cc1ccc(C(=O)Nc2cnn(-c3ccccc3Cl)c2)c([O-])c1O ZINC000780933278 1304753634 /nfs/dbraw/zinc/75/36/34/1304753634.db2.gz JFHDFUSZOQSWMY-UHFFFAOYSA-N -1 3 343.770 3.498 20 10 EGCDHM Cc1ccc(N2CCNC2=O)cc1NCc1c([O-])cccc1Cl ZINC000785552401 1305377631 /nfs/dbraw/zinc/37/76/31/1305377631.db2.gz VITTZTNIZGSWEO-UHFFFAOYSA-N -1 3 331.803 3.496 20 10 EGCDHM CN(Cc1c([O-])cccc1Cl)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789596169 1306190221 /nfs/dbraw/zinc/19/02/21/1306190221.db2.gz INSACTLDDPPVSY-QGZVFWFLSA-N -1 3 344.842 3.279 20 10 EGCDHM CC[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1O ZINC000894096717 1306217500 /nfs/dbraw/zinc/21/75/00/1306217500.db2.gz YSFSNGCQTJBGQM-QPUJVOFHSA-N -1 3 334.641 3.011 20 10 EGCDHM CC[C@@H](C)[C@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2[nH]1 ZINC000790561782 1306352835 /nfs/dbraw/zinc/35/28/35/1306352835.db2.gz WFVPWGLMKHHGGF-BZNIZROVSA-N -1 3 339.395 3.491 20 10 EGCDHM CCN1CCCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807838685 1317590578 /nfs/dbraw/zinc/59/05/78/1317590578.db2.gz OHKLGZISTMAEQJ-ZDUSSCGKSA-N -1 3 331.243 3.190 20 10 EGCDHM C[S@@](=O)c1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790973592 1308900633 /nfs/dbraw/zinc/90/06/33/1308900633.db2.gz OFZPIPLUBOJSED-OAQYLSRUSA-N -1 3 327.808 3.212 20 10 EGCDHM CC[C@@H](NCc1cn(-c2ccccc2)nn1)c1ccc(F)cc1[O-] ZINC000796840588 1310098984 /nfs/dbraw/zinc/09/89/84/1310098984.db2.gz ZNNXSFQCACJXQK-QGZVFWFLSA-N -1 3 326.375 3.353 20 10 EGCDHM Cc1noc(C)c1CN1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824593940 1320268489 /nfs/dbraw/zinc/26/84/89/1320268489.db2.gz VTOVKQRJPYPKDX-UHFFFAOYSA-N -1 3 349.862 3.277 20 10 EGCDHM CN(C)c1ccc(CN2CCC(CC(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC000901419408 1317423087 /nfs/dbraw/zinc/42/30/87/1317423087.db2.gz ATBRBCDBCKKEFB-UHFFFAOYSA-N -1 3 344.377 3.458 20 10 EGCDHM C[C@@H](NCc1cnn(CC2CCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903239947 1317678895 /nfs/dbraw/zinc/67/88/95/1317678895.db2.gz NMQHUNDPSDTUOT-GFCCVEGCSA-N -1 3 330.388 3.148 20 10 EGCDHM CN(C)C(=O)OC[C@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000809709300 1317870516 /nfs/dbraw/zinc/87/05/16/1317870516.db2.gz PLQVOAMCVHTHRE-LLVKDONJSA-N -1 3 344.814 3.237 20 10 EGCDHM NC(=O)c1csc(CNCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000809774954 1317897712 /nfs/dbraw/zinc/89/77/12/1317897712.db2.gz VRAFKJHUKLXMSB-UHFFFAOYSA-N -1 3 331.224 3.149 20 10 EGCDHM CCOC(=O)c1ccc(CNCc2cc(Cl)c(F)cc2[O-])o1 ZINC000816610369 1319194031 /nfs/dbraw/zinc/19/40/31/1319194031.db2.gz ILJDPVUSEQNGNX-UHFFFAOYSA-N -1 3 327.739 3.244 20 10 EGCDHM O=S1(=O)C[C@@H](NCc2ccc3ccccc3c2[O-])c2ccccc21 ZINC000816611521 1319194099 /nfs/dbraw/zinc/19/40/99/1319194099.db2.gz RKWNSCYOTNSSLP-QGZVFWFLSA-N -1 3 339.416 3.164 20 10 EGCDHM CC(C)(CO)[C@H](NCc1c([O-])ccc(Cl)c1F)c1cccnc1 ZINC000816637472 1319198843 /nfs/dbraw/zinc/19/88/43/1319198843.db2.gz FGPODSGVAFZKLU-MRXNPFEDSA-N -1 3 338.810 3.429 20 10 EGCDHM CC(=O)c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1[O-] ZINC000816939217 1319250840 /nfs/dbraw/zinc/25/08/40/1319250840.db2.gz WTZOQHFKDRGAMW-UHFFFAOYSA-N -1 3 339.391 3.109 20 10 EGCDHM C[C@H](N[C@@H](C)c1cc(Br)cc(F)c1[O-])c1ccn(C)n1 ZINC000840816456 1321155206 /nfs/dbraw/zinc/15/52/06/1321155206.db2.gz NLQSHWDYSRMLCC-IUCAKERBSA-N -1 3 342.212 3.439 20 10 EGCDHM C[C@@H](N[C@H](C)c1ccc(Br)cc1[O-])c1csnn1 ZINC000840886411 1321171317 /nfs/dbraw/zinc/17/13/17/1321171317.db2.gz VNUZMUXIYJFAPX-HTQZYQBOSA-N -1 3 328.235 3.418 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(c3ccncn3)CC2)c1[O-] ZINC000840953181 1321185420 /nfs/dbraw/zinc/18/54/20/1321185420.db2.gz HSLNITVPLKGBQY-UHFFFAOYSA-N -1 3 348.790 3.123 20 10 EGCDHM [O-]c1ccc(Br)cc1CNCc1nnc(C2CC2)s1 ZINC000840973476 1321191127 /nfs/dbraw/zinc/19/11/27/1321191127.db2.gz NVSWWSCQMCHKSU-UHFFFAOYSA-N -1 3 340.246 3.173 20 10 EGCDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC)c(C)c2)cc1 ZINC000841793884 1321312672 /nfs/dbraw/zinc/31/26/72/1321312672.db2.gz QKZOWUBTGGDWNC-QGZVFWFLSA-N -1 3 329.396 3.318 20 10 EGCDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cc(Cl)ccc1O ZINC000846478112 1321788635 /nfs/dbraw/zinc/78/86/35/1321788635.db2.gz ZOEOFTYCYSMAGJ-UHFFFAOYSA-N -1 3 349.818 3.077 20 10 EGCDHM Cc1noc(CN(C)Cc2c3c(ccc2[O-])oc2c3CCCC2)n1 ZINC000848503467 1321966890 /nfs/dbraw/zinc/96/68/90/1321966890.db2.gz FXBQGDRIVIVWRQ-UHFFFAOYSA-N -1 3 327.384 3.341 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)c([O-])c1O ZINC000855549352 1325395826 /nfs/dbraw/zinc/39/58/26/1325395826.db2.gz BBANXLNRZFIFAK-MRXNPFEDSA-N -1 3 327.380 3.418 20 10 EGCDHM CC(C)(O)[C@@H]1CCCN1Cc1c([O-])cc(Br)cc1F ZINC001233029368 1376557884 /nfs/dbraw/zinc/55/78/84/1376557884.db2.gz CKKBANLDJGEUSL-ZDUSSCGKSA-N -1 3 332.213 3.029 20 10 EGCDHM N=C(NC(=O)c1ccc([O-])c(O)c1Cl)c1ccc2ccccc2n1 ZINC001193246974 1367978882 /nfs/dbraw/zinc/97/88/82/1367978882.db2.gz GDSXUUHTRTZSOJ-UHFFFAOYSA-N -1 3 341.754 3.055 20 10 EGCDHM CCCOC(=O)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001194123146 1368186779 /nfs/dbraw/zinc/18/67/79/1368186779.db2.gz LQXDJMPVSLSQBQ-UHFFFAOYSA-N -1 3 325.320 3.126 20 10 EGCDHM COc1cccc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c1OC ZINC001216952152 1373370109 /nfs/dbraw/zinc/37/01/09/1373370109.db2.gz VHIGGQXBWDYHJB-UHFFFAOYSA-N -1 3 348.742 3.485 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC001231567264 1376266589 /nfs/dbraw/zinc/26/65/89/1376266589.db2.gz BZKVBGZQPQAKHI-QGZVFWFLSA-N -1 3 329.371 3.437 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC001231567264 1376266592 /nfs/dbraw/zinc/26/65/92/1376266592.db2.gz BZKVBGZQPQAKHI-QGZVFWFLSA-N -1 3 329.371 3.437 20 10 EGCDHM Cc1ccc([C@]2(C)CN(Cc3cc(C(=O)[O-])ccc3O)CCO2)cc1 ZINC001231566056 1376267463 /nfs/dbraw/zinc/26/74/63/1376267463.db2.gz OROVFBMSPGCCAS-FQEVSTJZSA-N -1 3 341.407 3.146 20 10 EGCDHM [O-]c1cc(O)c(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl ZINC001232262398 1376426448 /nfs/dbraw/zinc/42/64/48/1376426448.db2.gz FYUHLCPKBIIBGM-HNNXBMFYSA-N -1 3 349.814 3.031 20 10 EGCDHM COC(=O)c1ccc2c(c1)CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232268836 1376427505 /nfs/dbraw/zinc/42/75/05/1376427505.db2.gz TUZQPRSPEGEPSU-UHFFFAOYSA-N -1 3 347.798 3.096 20 10 EGCDHM CN(Cc1ccc(N2CCOCC2)cc1)Cc1c([O-])ccc(F)c1F ZINC001233334793 1376619765 /nfs/dbraw/zinc/61/97/65/1376619765.db2.gz UASAOWOWZLESQY-UHFFFAOYSA-N -1 3 348.393 3.139 20 10 EGCDHM C[C@H]1CCN(Cc2c([O-])cccc2F)CCN1C(=O)OC(C)(C)C ZINC001137832857 1377623863 /nfs/dbraw/zinc/62/38/63/1377623863.db2.gz KGMHWDNINIOJBY-ZDUSSCGKSA-N -1 3 338.423 3.363 20 10 EGCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1Cc1cccc(F)c1[O-] ZINC001138129910 1377682740 /nfs/dbraw/zinc/68/27/40/1377682740.db2.gz YYIJVWFRYMUEGV-CHWSQXEVSA-N -1 3 338.423 3.361 20 10 EGCDHM CCOCc1cnc2n1CCN(Cc1c([O-])cccc1Cl)[C@@H]2C ZINC001140340665 1378049468 /nfs/dbraw/zinc/04/94/68/1378049468.db2.gz ZFMKNDBXROFJQD-GFCCVEGCSA-N -1 3 335.835 3.355 20 10 EGCDHM O=C(c1ccccc1F)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140344988 1378050975 /nfs/dbraw/zinc/05/09/75/1378050975.db2.gz OUIGHICDNZGUMO-UHFFFAOYSA-N -1 3 348.805 3.143 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])[C@H]2C[C@H]21 ZINC001140463171 1378067388 /nfs/dbraw/zinc/06/73/88/1378067388.db2.gz VUNHWHHFMWTIBU-UONOGXRCSA-N -1 3 338.835 3.239 20 10 EGCDHM COCC[C@H]1CO[C@]2(C1)CCCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140581158 1378089620 /nfs/dbraw/zinc/08/96/20/1378089620.db2.gz RDSSAHOUJNWEOH-ACJLOTCBSA-N -1 3 341.398 3.078 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@]2(CCOC2)C1 ZINC001144292509 1378710965 /nfs/dbraw/zinc/71/09/65/1378710965.db2.gz DWDNPMRXCRQMTN-OAHLLOKOSA-N -1 3 344.224 3.296 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1C[C@H]2[C@H](CC2(F)F)C1 ZINC001144292838 1378711206 /nfs/dbraw/zinc/71/12/06/1378711206.db2.gz IPINGOCNDXCPSM-BDAKNGLRSA-N -1 3 336.151 3.381 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC001144299010 1378713280 /nfs/dbraw/zinc/71/32/80/1378713280.db2.gz ORPUPNOBWXHOOH-BMIGLBTASA-N -1 3 344.224 3.295 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@]12CCOC2 ZINC001144306644 1378713850 /nfs/dbraw/zinc/71/38/50/1378713850.db2.gz KPUOHXDELWKJEH-CQSZACIVSA-N -1 3 330.197 3.049 20 10 EGCDHM CCOC(=O)c1cc2cc(NC(=O)c3cccc(O)c3[O-])ccc2o1 ZINC001148219191 1379134863 /nfs/dbraw/zinc/13/48/63/1379134863.db2.gz WIMVCYURKYHOEP-UHFFFAOYSA-N -1 3 341.319 3.273 20 10 EGCDHM Cc1nc2c(F)cccc2cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582576 1379215731 /nfs/dbraw/zinc/21/57/31/1379215731.db2.gz LPISOZNPBUFQET-UHFFFAOYSA-N -1 3 328.299 3.051 20 10 EGCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001148588322 1379218042 /nfs/dbraw/zinc/21/80/42/1379218042.db2.gz SIUNIDLIKPRQRN-ZDUSSCGKSA-N -1 3 349.333 3.068 20 10 EGCDHM O=C(NC/C(=C/F)CCc1ccc(F)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148589561 1379218489 /nfs/dbraw/zinc/21/84/89/1379218489.db2.gz BWKIUQVYHFBNPH-FMIVXFBMSA-N -1 3 349.333 3.159 20 10 EGCDHM CCCC[C@@H](CC)COCCCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590210 1379218840 /nfs/dbraw/zinc/21/88/40/1379218840.db2.gz ZEZLVSVNUCORAV-CYBMUJFWSA-N -1 3 339.432 3.156 20 10 EGCDHM [O-]c1c(CNc2ccnc3ccnn32)cc(Cl)c2cccnc12 ZINC001157723732 1381014915 /nfs/dbraw/zinc/01/49/15/1381014915.db2.gz BLBQOVAGZAKNLG-UHFFFAOYSA-N -1 3 325.759 3.249 20 10 EGCDHM Cc1ncc([N+](=O)[O-])c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157724844 1381016393 /nfs/dbraw/zinc/01/63/93/1381016393.db2.gz VWCMXZYPIFDKFD-UHFFFAOYSA-N -1 3 345.746 3.213 20 10 EGCDHM [O-]c1c(CNc2ccc3nncn3c2)cc(Cl)c2cccnc12 ZINC001168523786 1383929727 /nfs/dbraw/zinc/92/97/27/1383929727.db2.gz SFOAOSZHHNQGAQ-UHFFFAOYSA-N -1 3 325.759 3.249 20 10 EGCDHM [O-]c1c(CNc2cnc(N3CCC3)nc2)cc(Cl)c2cccnc12 ZINC001168523153 1383929951 /nfs/dbraw/zinc/92/99/51/1383929951.db2.gz KRTYCVGMQQECAB-UHFFFAOYSA-N -1 3 341.802 3.206 20 10 EGCDHM [O-]c1c(CNc2ncc3c(n2)CCC3)cc(Cl)c2cccnc12 ZINC001168528615 1383930329 /nfs/dbraw/zinc/93/03/29/1383930329.db2.gz WLRJOTIBKLDCAU-UHFFFAOYSA-N -1 3 326.787 3.485 20 10 EGCDHM CO[C@@]1(C(F)(F)F)CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001331566469 1389805194 /nfs/dbraw/zinc/80/51/94/1389805194.db2.gz ALQQMOUFDHIQFH-ZDUSSCGKSA-N -1 3 325.277 3.214 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000843039634 955620258 /nfs/dbraw/zinc/62/02/58/955620258.db2.gz DEKSYBLIVFITAW-NOZJJQNGSA-N -1 3 342.233 3.006 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000843039634 955620265 /nfs/dbraw/zinc/62/02/65/955620265.db2.gz DEKSYBLIVFITAW-NOZJJQNGSA-N -1 3 342.233 3.006 20 10 EGCDHM C[C@@H](C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001592584809 978504701 /nfs/dbraw/zinc/50/47/01/978504701.db2.gz NRYKRBCDEPOOOU-AWEZNQCLSA-N -1 3 329.396 3.124 20 10 EGCDHM C[C@@H](C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001592584809 978504704 /nfs/dbraw/zinc/50/47/04/978504704.db2.gz NRYKRBCDEPOOOU-AWEZNQCLSA-N -1 3 329.396 3.124 20 10 EGCDHM C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])Oc1ccccc1F ZINC001592706041 979172802 /nfs/dbraw/zinc/17/28/02/979172802.db2.gz IODBNONOZJTRCN-RYUDHWBXSA-N -1 3 333.359 3.348 20 10 EGCDHM C[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])Oc1cccc(F)c1 ZINC001592706729 979178604 /nfs/dbraw/zinc/17/86/04/979178604.db2.gz LCDGROCFVSWCJK-VXGBXAGGSA-N -1 3 333.359 3.348 20 10 EGCDHM C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593196177 994152923 /nfs/dbraw/zinc/15/29/23/994152923.db2.gz GCWVWQLZTIVJJU-CKFHNAJUSA-N -1 3 342.439 3.432 20 10 EGCDHM C[C@@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256326 994521542 /nfs/dbraw/zinc/52/15/42/994521542.db2.gz HPEZVWXZIFSGJX-UKRRQHHQSA-N -1 3 349.427 3.207 20 10 EGCDHM COc1cccc([O-])c1C[N@@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001599680171 994965477 /nfs/dbraw/zinc/96/54/77/994965477.db2.gz DOKRRRFSTRLOAR-CQSZACIVSA-N -1 3 329.396 3.124 20 10 EGCDHM COc1cccc([O-])c1C[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001599680171 994965489 /nfs/dbraw/zinc/96/54/89/994965489.db2.gz DOKRRRFSTRLOAR-CQSZACIVSA-N -1 3 329.396 3.124 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC001599421037 997594824 /nfs/dbraw/zinc/59/48/24/997594824.db2.gz YGKJSOQSWWVWQC-WBMJQRKESA-N -1 3 327.808 3.177 20 10 EGCDHM NC(=O)CCC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000271220484 456178763 /nfs/dbraw/zinc/17/87/63/456178763.db2.gz YTEYGAJEAMRXOH-UHFFFAOYSA-N -1 3 331.243 3.177 20 10 EGCDHM CCc1ccc([C@@H]2CN(C(=O)c3ccc(C)c(O)c3[O-])CCO2)cc1 ZINC000190904544 455401480 /nfs/dbraw/zinc/40/14/80/455401480.db2.gz QGFFLQXSPYFIAX-KRWDZBQOSA-N -1 3 341.407 3.182 20 10 EGCDHM CCCCc1noc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000069708864 454136299 /nfs/dbraw/zinc/13/62/99/454136299.db2.gz UJJZDXOPNHZBPI-INIZCTEOSA-N -1 3 345.443 3.299 20 10 EGCDHM C[C@@H](C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000134270037 454522548 /nfs/dbraw/zinc/52/25/48/454522548.db2.gz BGRPCMVBQPMBEQ-WBMJQRKESA-N -1 3 336.863 3.172 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000093865658 454741802 /nfs/dbraw/zinc/74/18/02/454741802.db2.gz LLZLBIMQCHBGDR-OAHLLOKOSA-N -1 3 349.228 3.203 20 10 EGCDHM C[C@H](C(=O)N(C)Cc1cccc(F)c1)N(C)Cc1ccccc1[O-] ZINC000109772397 454835228 /nfs/dbraw/zinc/83/52/28/454835228.db2.gz FOPYVQNCNONBSG-CQSZACIVSA-N -1 3 330.403 3.010 20 10 EGCDHM CC(=O)c1cccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000109770206 454835992 /nfs/dbraw/zinc/83/59/92/454835992.db2.gz KMHUKDBNJTXQQF-CYBMUJFWSA-N -1 3 326.396 3.054 20 10 EGCDHM C[C@@H](NCC(=O)N(C)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185079109 455497538 /nfs/dbraw/zinc/49/75/38/455497538.db2.gz PPVYBUSNXUFKRP-CYBMUJFWSA-N -1 3 332.831 3.355 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c([O-])c1O ZINC000182584576 455546463 /nfs/dbraw/zinc/54/64/63/455546463.db2.gz ALKBJSKLQBXYNW-OAHLLOKOSA-N -1 3 339.391 3.284 20 10 EGCDHM CCCN(Cc1nn(C)cc1Br)Cc1ccccc1[O-] ZINC000292683276 455730696 /nfs/dbraw/zinc/73/06/96/455730696.db2.gz RHRRIKOGWASPPS-UHFFFAOYSA-N -1 3 338.249 3.300 20 10 EGCDHM CCOc1ccc(C2=CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000193151684 455744000 /nfs/dbraw/zinc/74/40/00/455744000.db2.gz XVRMPJZLUIKLFL-UHFFFAOYSA-N -1 3 339.391 3.426 20 10 EGCDHM NC(=O)c1ccc(CN(Cc2cccc(Cl)c2[O-])C2CC2)cc1 ZINC000271751241 455746723 /nfs/dbraw/zinc/74/67/23/455746723.db2.gz VPKPPXFXJFORMG-UHFFFAOYSA-N -1 3 330.815 3.309 20 10 EGCDHM CCCOc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278575155 455840536 /nfs/dbraw/zinc/84/05/36/455840536.db2.gz DKJFFIHAGHQDEY-UHFFFAOYSA-N -1 3 346.383 3.388 20 10 EGCDHM CC(C)c1nnc(CN[C@H](C)c2cc(Br)ccc2[O-])[nH]1 ZINC000296357431 455917285 /nfs/dbraw/zinc/91/72/85/455917285.db2.gz IPPNGOMQJGGZIP-SECBINFHSA-N -1 3 339.237 3.247 20 10 EGCDHM CC[C@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1ccc(F)cc1[O-] ZINC000286075850 455972330 /nfs/dbraw/zinc/97/23/30/455972330.db2.gz MCPSUUXWLFLYMJ-KRWDZBQOSA-N -1 3 346.402 3.098 20 10 EGCDHM COC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC000271207184 456173063 /nfs/dbraw/zinc/17/30/63/456173063.db2.gz WOGXWZVQVFSKSY-LBPRGKRZSA-N -1 3 344.238 3.474 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000297290565 456174726 /nfs/dbraw/zinc/17/47/26/456174726.db2.gz LTPXVRYHYYVLAO-NWDGAFQWSA-N -1 3 344.367 3.499 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](Nc2ncc(F)cn2)C1 ZINC000301764051 456208947 /nfs/dbraw/zinc/20/89/47/456208947.db2.gz HEKCIROYZPASOS-CQSZACIVSA-N -1 3 336.798 3.051 20 10 EGCDHM CC(C)Oc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000273390251 456227048 /nfs/dbraw/zinc/22/70/48/456227048.db2.gz KKKQUDWDJFFLLH-GFCCVEGCSA-N -1 3 331.372 3.333 20 10 EGCDHM COCC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccco1 ZINC000273411067 456228201 /nfs/dbraw/zinc/22/82/01/456228201.db2.gz HWYSOQUGQJCQNK-WFASDCNBSA-N -1 3 333.384 3.200 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccccc2N(C)C)c1 ZINC000273458031 456232026 /nfs/dbraw/zinc/23/20/26/456232026.db2.gz HMWVKWQZQJKZAG-ZDUSSCGKSA-N -1 3 328.412 3.096 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CCOc3ccc(F)cc32)c1 ZINC000273474280 456232623 /nfs/dbraw/zinc/23/26/23/456232623.db2.gz KJYXKMKCQHVSPO-ZBEGNZNMSA-N -1 3 345.370 3.492 20 10 EGCDHM C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604035 456240767 /nfs/dbraw/zinc/24/07/67/456240767.db2.gz SPJWAJSPIOLHIF-LLVKDONJSA-N -1 3 333.363 3.356 20 10 EGCDHM COc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])c(OC)c1 ZINC000274898193 456267145 /nfs/dbraw/zinc/26/71/45/456267145.db2.gz OISDLADNABAIOM-OAHLLOKOSA-N -1 3 343.379 3.092 20 10 EGCDHM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc(O)c1[O-] ZINC000275398420 456273729 /nfs/dbraw/zinc/27/37/29/456273729.db2.gz DPLUGPSBSVVASG-BZNIZROVSA-N -1 3 347.798 3.353 20 10 EGCDHM CCc1nc(C)c(CNCc2cc(Br)ccc2[O-])o1 ZINC000291717092 456731089 /nfs/dbraw/zinc/73/10/89/456731089.db2.gz MEDCUAFCYGLTEC-UHFFFAOYSA-N -1 3 325.206 3.303 20 10 EGCDHM [O-]c1ccccc1CN1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000378530051 457406938 /nfs/dbraw/zinc/40/69/38/457406938.db2.gz CWDQYPONMUCIKX-MRXNPFEDSA-N -1 3 337.379 3.016 20 10 EGCDHM CN1CCC2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1=O ZINC000370079712 457532792 /nfs/dbraw/zinc/53/27/92/457532792.db2.gz AZYWEACAVAZWOL-UHFFFAOYSA-N -1 3 343.254 3.143 20 10 EGCDHM O=C1CCCCN1[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000364509721 457628302 /nfs/dbraw/zinc/62/83/02/457628302.db2.gz UWFUEVKKBUUHFK-LBPRGKRZSA-N -1 3 340.826 3.162 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccc(-n2ccnc2)nc1 ZINC000372774951 458331314 /nfs/dbraw/zinc/33/13/14/458331314.db2.gz DOJPOMRRVUFEOE-UHFFFAOYSA-N -1 3 332.766 3.055 20 10 EGCDHM COc1ccc2ccc([O-])c(CNC(C)(C)c3noc(C)n3)c2c1 ZINC000729851689 574890778 /nfs/dbraw/zinc/89/07/78/574890778.db2.gz UGALFCUSDQUSEF-UHFFFAOYSA-N -1 3 327.384 3.270 20 10 EGCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000732352712 575261342 /nfs/dbraw/zinc/26/13/42/575261342.db2.gz CWIVYXGGENSZJA-KYOSRNDESA-N -1 3 339.457 3.330 20 10 EGCDHM CC[C@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ccc(OC)cc1 ZINC000732353210 575261420 /nfs/dbraw/zinc/26/14/20/575261420.db2.gz OAYUDLIHDNDTSH-ZDUSSCGKSA-N -1 3 335.381 3.036 20 10 EGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000732353869 575261623 /nfs/dbraw/zinc/26/16/23/575261623.db2.gz BYVCJISFEUSITA-VALILCMLSA-N -1 3 349.452 3.084 20 10 EGCDHM Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354524 575261643 /nfs/dbraw/zinc/26/16/43/575261643.db2.gz UFUZLIZKBBXPMB-VXGBXAGGSA-N -1 3 333.409 3.185 20 10 EGCDHM CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)c1 ZINC000732354216 575261700 /nfs/dbraw/zinc/26/17/00/575261700.db2.gz HVBGREMBSOBFBA-VIFPVBQESA-N -1 3 337.422 3.360 20 10 EGCDHM CCOc1ccc(-c2noc(COC(=O)c3cc([O-])cs3)n2)cc1 ZINC000732354992 575262030 /nfs/dbraw/zinc/26/20/30/575262030.db2.gz YXGPXFYHHNINJX-UHFFFAOYSA-N -1 3 346.364 3.259 20 10 EGCDHM O=C(CNCc1c([O-])cccc1Cl)Nc1ccc(F)c(F)c1 ZINC000733323214 575327518 /nfs/dbraw/zinc/32/75/18/575327518.db2.gz PYXZQPJWAPWOSJ-UHFFFAOYSA-N -1 3 326.730 3.052 20 10 EGCDHM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000735326944 575644497 /nfs/dbraw/zinc/64/44/97/575644497.db2.gz SDCYNCWTDUAZNL-CYBMUJFWSA-N -1 3 334.416 3.300 20 10 EGCDHM CC[N@H+](CC(=O)[O-])Cc1c([O-])ccc2cc(Br)ccc21 ZINC000737074688 576102844 /nfs/dbraw/zinc/10/28/44/576102844.db2.gz KBEIILWVJAUJBK-UHFFFAOYSA-N -1 3 338.201 3.214 20 10 EGCDHM CC[N@@H+](CC(=O)[O-])Cc1c([O-])ccc2cc(Br)ccc21 ZINC000737074688 576102847 /nfs/dbraw/zinc/10/28/47/576102847.db2.gz KBEIILWVJAUJBK-UHFFFAOYSA-N -1 3 338.201 3.214 20 10 EGCDHM O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1cc([O-])cs1 ZINC000743537521 576811385 /nfs/dbraw/zinc/81/13/85/576811385.db2.gz LYMGQUUCCHCXQG-MRXNPFEDSA-N -1 3 330.453 3.411 20 10 EGCDHM C[N@H+](CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccccc1[O-] ZINC000830792523 601007191 /nfs/dbraw/zinc/00/71/91/601007191.db2.gz SJHDCQMLDVUCHA-UHFFFAOYSA-N -1 3 335.787 3.255 20 10 EGCDHM C[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccccc1[O-] ZINC000830792523 601007194 /nfs/dbraw/zinc/00/71/94/601007194.db2.gz SJHDCQMLDVUCHA-UHFFFAOYSA-N -1 3 335.787 3.255 20 10 EGCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000826209228 609173920 /nfs/dbraw/zinc/17/39/20/609173920.db2.gz SERLFELTSVRVMV-UHFFFAOYSA-N -1 3 335.820 3.227 20 10 EGCDHM Cc1cc(Br)c([O-])c(CNc2nc3n(n2)CCCC3)c1 ZINC000834482310 1293103444 /nfs/dbraw/zinc/10/34/44/1293103444.db2.gz BEOBSHMURDAUBW-UHFFFAOYSA-N -1 3 337.221 3.003 20 10 EGCDHM CC[C@H](Nc1ccc(O[C@@H]2CC(=O)N2)cc1)c1ccc(F)cc1[O-] ZINC000834894294 1293166290 /nfs/dbraw/zinc/16/62/90/1293166290.db2.gz SCGBMFWFXCAVSV-MAUKXSAKSA-N -1 3 330.359 3.319 20 10 EGCDHM COC(=O)CN(Cc1cccc(OC)c1)Cc1cc(Cl)ccc1[O-] ZINC000121233142 1293361344 /nfs/dbraw/zinc/36/13/44/1293361344.db2.gz OGLIZKYUVFEEJS-UHFFFAOYSA-N -1 3 349.814 3.229 20 10 EGCDHM O=C(Nc1ccc(F)c(Br)c1)c1cccc(O)c1[O-] ZINC000126183698 1293527700 /nfs/dbraw/zinc/52/77/00/1293527700.db2.gz REYWPIXLTYQXHG-UHFFFAOYSA-N -1 3 326.121 3.252 20 10 EGCDHM CCOC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000154921284 1294076018 /nfs/dbraw/zinc/07/60/18/1294076018.db2.gz PYSLJDPVKNYLRI-LBPRGKRZSA-N -1 3 339.819 3.023 20 10 EGCDHM O=C(NCc1ccc(F)cc1C(F)(F)F)c1cccc(O)c1[O-] ZINC000186935877 1295357182 /nfs/dbraw/zinc/35/71/82/1295357182.db2.gz YFIHMAQIXHIWFT-UHFFFAOYSA-N -1 3 329.249 3.186 20 10 EGCDHM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cccc(O)c1[O-] ZINC000192459696 1295764907 /nfs/dbraw/zinc/76/49/07/1295764907.db2.gz ZZBQPEZODWTYNO-UHFFFAOYSA-N -1 3 337.335 3.278 20 10 EGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nc(C2CCCCC2)no1 ZINC000193109389 1295834257 /nfs/dbraw/zinc/83/42/57/1295834257.db2.gz UDDBZJICAKJFHW-JTQLQIEISA-N -1 3 331.372 3.020 20 10 EGCDHM Cc1nnc([C@H](C)NCc2c([O-])cccc2Br)s1 ZINC000706835019 1298224727 /nfs/dbraw/zinc/22/47/27/1298224727.db2.gz DIVOMAJCZJAWIB-ZETCQYMHSA-N -1 3 328.235 3.165 20 10 EGCDHM Cc1cccc2c1N[C@H](c1c([O-])cccc1Br)NC2=O ZINC000877846163 1299607894 /nfs/dbraw/zinc/60/78/94/1299607894.db2.gz RVTJFQLRDCDZAN-AWEZNQCLSA-N -1 3 333.185 3.317 20 10 EGCDHM C[C@H](NCc1c(Br)cnn1C)c1cc(F)cc(F)c1[O-] ZINC000866431195 1330111325 /nfs/dbraw/zinc/11/13/25/1330111325.db2.gz KDNLHFYZRUWJSJ-ZETCQYMHSA-N -1 3 346.175 3.017 20 10 EGCDHM [O-]c1c(F)cc(Br)cc1CN[C@@H]1CCCc2c[nH]nc21 ZINC000883048481 1302221213 /nfs/dbraw/zinc/22/12/13/1302221213.db2.gz PPQVTUZDDQJDNA-GFCCVEGCSA-N -1 3 340.196 3.184 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000768251975 1302865813 /nfs/dbraw/zinc/86/58/13/1302865813.db2.gz CDOIBNMHQCUMOM-UHFFFAOYSA-N -1 3 338.238 3.416 20 10 EGCDHM CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000770464746 1303272906 /nfs/dbraw/zinc/27/29/06/1303272906.db2.gz ARHWFHOBPJAPOJ-YRNVUSSQSA-N -1 3 341.363 3.235 20 10 EGCDHM C[C@@H](N[C@H](CC(=O)N(C)C)c1ccccc1)c1c([O-])cccc1F ZINC000886511604 1303481290 /nfs/dbraw/zinc/48/12/90/1303481290.db2.gz YIYIAKNCPBZEAU-CZUORRHYSA-N -1 3 330.403 3.402 20 10 EGCDHM Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1cccc(O)c1[O-] ZINC000773297969 1303657140 /nfs/dbraw/zinc/65/71/40/1303657140.db2.gz USZOPQSPJDMDNI-UHFFFAOYSA-N -1 3 345.305 3.029 20 10 EGCDHM CN(CC(F)F)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775724275 1304022223 /nfs/dbraw/zinc/02/22/23/1304022223.db2.gz NBAJJVXTFKRBEC-UHFFFAOYSA-N -1 3 336.785 3.346 20 10 EGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1O ZINC000776747418 1304192694 /nfs/dbraw/zinc/19/26/94/1304192694.db2.gz DAXNQCDRJDOVGM-UHFFFAOYSA-N -1 3 333.409 3.215 20 10 EGCDHM CCOC(=O)[C@@H](Cc1ccccc1)NCc1cc(Cl)ccc1[O-] ZINC000779431979 1304571207 /nfs/dbraw/zinc/57/12/07/1304571207.db2.gz VQCWLXJKVPNNPK-MRXNPFEDSA-N -1 3 333.815 3.310 20 10 EGCDHM CN(Cc1ccccc1N1CCOCC1)Cc1cc(F)cc(F)c1[O-] ZINC000893911520 1306127135 /nfs/dbraw/zinc/12/71/35/1306127135.db2.gz WOPSQVHYNFVHJK-UHFFFAOYSA-N -1 3 348.393 3.139 20 10 EGCDHM CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894019424 1306177472 /nfs/dbraw/zinc/17/74/72/1306177472.db2.gz MLFATTGCKQWEPE-LBPRGKRZSA-N -1 3 340.414 3.045 20 10 EGCDHM CN(Cc1cn(C)nc1C(F)(F)F)Cc1cc(F)cc(F)c1[O-] ZINC000894096145 1306216005 /nfs/dbraw/zinc/21/60/05/1306216005.db2.gz UGXQFERWSJORAK-UHFFFAOYSA-N -1 3 335.276 3.055 20 10 EGCDHM CC[C@@H](C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2[nH]1 ZINC000790561780 1306351995 /nfs/dbraw/zinc/35/19/95/1306351995.db2.gz WFVPWGLMKHHGGF-BDJLRTHQSA-N -1 3 339.395 3.491 20 10 EGCDHM Cc1cc(Br)ccc1CNC(=O)c1cccc(O)c1[O-] ZINC000790686386 1308853086 /nfs/dbraw/zinc/85/30/86/1308853086.db2.gz UVXDVADQORRZIQ-UHFFFAOYSA-N -1 3 336.185 3.099 20 10 EGCDHM C[C@@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894424270 1308873145 /nfs/dbraw/zinc/87/31/45/1308873145.db2.gz ZQLCLNMRFQBCFO-NXEZZACHSA-N -1 3 348.668 3.401 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@H](O)CC1 ZINC000894866311 1309107219 /nfs/dbraw/zinc/10/72/19/1309107219.db2.gz POAKIYVBLPUPGH-NSHDSACASA-N -1 3 334.641 3.155 20 10 EGCDHM CN(Cc1c([O-])ccc(Cl)c1F)C[C@@H]1COc2ccccc2O1 ZINC000792157401 1309131792 /nfs/dbraw/zinc/13/17/92/1309131792.db2.gz WFXMUXUHONCXQO-LLVKDONJSA-N -1 3 337.778 3.457 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN(CCO)Cc1cccnc1Cl ZINC000793365908 1309355371 /nfs/dbraw/zinc/35/53/71/1309355371.db2.gz MCRGPPUHSZBECM-UHFFFAOYSA-N -1 3 327.211 3.089 20 10 EGCDHM NC(=O)c1cccc(CN(Cc2c([O-])ccc(Cl)c2F)C2CC2)c1 ZINC000824608820 1320270131 /nfs/dbraw/zinc/27/01/31/1320270131.db2.gz RNEOVDUMTBQUCN-UHFFFAOYSA-N -1 3 348.805 3.448 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OC(F)F)nc2)c1 ZINC000802320919 1316999460 /nfs/dbraw/zinc/99/94/60/1316999460.db2.gz KMFBSRORNPNSNY-SECBINFHSA-N -1 3 338.310 3.348 20 10 EGCDHM CCN(C(=O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000903197785 1317671972 /nfs/dbraw/zinc/67/19/72/1317671972.db2.gz VPVYJRBYPQZEAP-ZDUSSCGKSA-N -1 3 343.383 3.004 20 10 EGCDHM O=C(NCCCSc1nccs1)c1cc([O-])ccc1Cl ZINC000810398304 1318005265 /nfs/dbraw/zinc/00/52/65/1318005265.db2.gz KCWIYRXXYPCXOL-UHFFFAOYSA-N -1 3 328.846 3.414 20 10 EGCDHM Cc1cc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])nc(N2CCCC2)n1 ZINC000813884785 1318651685 /nfs/dbraw/zinc/65/16/85/1318651685.db2.gz HRVXYLLJLRPDCQ-LBPRGKRZSA-N -1 3 348.397 3.220 20 10 EGCDHM O=C(c1ccco1)N1CCN(Cc2ccc3ccccc3c2[O-])CC1 ZINC000816480883 1319163289 /nfs/dbraw/zinc/16/32/89/1319163289.db2.gz ZYUKZMAYSBCDSK-UHFFFAOYSA-N -1 3 336.391 3.096 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(Cc3ccccn3)CC2)cc1Cl ZINC000824541666 1320263664 /nfs/dbraw/zinc/26/36/64/1320263664.db2.gz GLBKHPCGQFPZBI-UHFFFAOYSA-N -1 3 331.847 3.067 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCOC[C@@H]1c1ccco1 ZINC000824803708 1320286415 /nfs/dbraw/zinc/28/64/15/1320286415.db2.gz YOSUBRLKEWBVQT-CYBMUJFWSA-N -1 3 338.201 3.321 20 10 EGCDHM Cc1cc([O-])c(CN2CCNC(=O)[C@@H]2c2cccs2)cc1Cl ZINC000824856537 1320291369 /nfs/dbraw/zinc/29/13/69/1320291369.db2.gz ZLIXGKZXJFJWIR-HNNXBMFYSA-N -1 3 336.844 3.089 20 10 EGCDHM [O-]c1c(Br)cccc1CN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840956351 1321185472 /nfs/dbraw/zinc/18/54/72/1321185472.db2.gz RBQGWPOWSAXGHO-HOCLYGCPSA-N -1 3 348.240 3.463 20 10 EGCDHM C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000843946608 1321559176 /nfs/dbraw/zinc/55/91/76/1321559176.db2.gz PYTOTHAIIBGEQS-LJQANCHMSA-N -1 3 329.371 3.474 20 10 EGCDHM C[C@H](NCc1nnn(C(C)(C)C)n1)c1ccc2ccccc2c1[O-] ZINC000848561228 1321976189 /nfs/dbraw/zinc/97/61/89/1321976189.db2.gz RRIAVCVRGGADRR-LBPRGKRZSA-N -1 3 325.416 3.138 20 10 EGCDHM Cc1cnc(OC2CCN(Cc3cccc(Cl)c3[O-])CC2)nc1 ZINC000848925598 1322047237 /nfs/dbraw/zinc/04/72/37/1322047237.db2.gz XWUCIJGOUZRFDF-UHFFFAOYSA-N -1 3 333.819 3.187 20 10 EGCDHM CN(Cc1ncc(Cl)n1C)Cc1c([O-])cccc1Br ZINC000862302706 1329474680 /nfs/dbraw/zinc/47/46/80/1329474680.db2.gz ZQUNGCQQSPVOCW-UHFFFAOYSA-N -1 3 344.640 3.174 20 10 EGCDHM CCOCc1cnc2n1CCN(Cc1cc(Cl)ccc1[O-])[C@@H]2C ZINC001203656159 1370203693 /nfs/dbraw/zinc/20/36/93/1370203693.db2.gz KEDDKGUFSFQQJA-GFCCVEGCSA-N -1 3 335.835 3.355 20 10 EGCDHM CCO[C@@H](C)COc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229541998 1375853134 /nfs/dbraw/zinc/85/31/34/1375853134.db2.gz JTESMIPXPSRGHP-LBPRGKRZSA-N -1 3 340.375 3.280 20 10 EGCDHM O=C([O-])c1ccc(C[NH+]2CCC(c3cccc(O)c3)CC2)c([O-])c1 ZINC001231455094 1376245685 /nfs/dbraw/zinc/24/56/85/1376245685.db2.gz WHFMENSIDPYLQO-UHFFFAOYSA-N -1 3 327.380 3.176 20 10 EGCDHM Cc1cccc(O[C@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079655 1376565724 /nfs/dbraw/zinc/56/57/24/1376565724.db2.gz IYCYIAJRWQIRRJ-AWEZNQCLSA-N -1 3 334.366 3.417 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1c([O-])cccc1F ZINC001137831953 1377624497 /nfs/dbraw/zinc/62/44/97/1377624497.db2.gz ULOJRMFGCUOSHT-CYBMUJFWSA-N -1 3 338.423 3.411 20 10 EGCDHM CC[C@H]1CN(Cc2c([O-])cccc2F)CCN1C(=O)OC(C)(C)C ZINC001137837576 1377626956 /nfs/dbraw/zinc/62/69/56/1377626956.db2.gz MMKHELRAURZDPO-ZDUSSCGKSA-N -1 3 338.423 3.363 20 10 EGCDHM CO[C@@H](CN1CCN(Cc2cccc(F)c2[O-])CC1)c1ccccc1 ZINC001138129484 1377682486 /nfs/dbraw/zinc/68/24/86/1377682486.db2.gz GMHXRGZRPSCUHS-IBGZPJMESA-N -1 3 344.430 3.037 20 10 EGCDHM CC(C)COC[C@@H]1CN(Cc2cc(F)ccc2[O-])Cc2ncn(C)c21 ZINC001140063542 1377999850 /nfs/dbraw/zinc/99/98/50/1377999850.db2.gz SAFNLQLDUKLQFI-HNNXBMFYSA-N -1 3 347.434 3.037 20 10 EGCDHM O=C1CCN(Cc2c([O-])cccc2Br)[C@@H]2CCCC[C@@H]12 ZINC001140098585 1378007231 /nfs/dbraw/zinc/00/72/31/1378007231.db2.gz GIHCWNMXUBAVIR-BXUZGUMPSA-N -1 3 338.245 3.488 20 10 EGCDHM CCOCc1cnc2n1CCN(Cc1ccc(Cl)cc1[O-])[C@@H]2C ZINC001140467862 1378069080 /nfs/dbraw/zinc/06/90/80/1378069080.db2.gz XOUQUSQAJIJKQX-GFCCVEGCSA-N -1 3 335.835 3.355 20 10 EGCDHM [O-]c1cc(F)cc(F)c1CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001140583457 1378090272 /nfs/dbraw/zinc/09/02/72/1378090272.db2.gz HPYZWVAEYJUAOQ-HOTGVXAUSA-N -1 3 330.378 3.129 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C(=O)c1ccccc1 ZINC001142691397 1378478421 /nfs/dbraw/zinc/47/84/21/1378478421.db2.gz AHJOJNRWSJZHQG-UHFFFAOYSA-N -1 3 340.766 3.093 20 10 EGCDHM C[C@H]1C[C@H]2CN(Cc3cc(Br)c(F)cc3[O-])CC[C@H]2O1 ZINC001144292588 1378710816 /nfs/dbraw/zinc/71/08/16/1378710816.db2.gz GEPYVJLATCPZQZ-CCUNJIBTSA-N -1 3 344.224 3.293 20 10 EGCDHM COc1cc(C(F)(F)F)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001148219184 1379134666 /nfs/dbraw/zinc/13/46/66/1379134666.db2.gz WFZLKNJBFKVEOF-UHFFFAOYSA-N -1 3 327.258 3.378 20 10 EGCDHM O=C(NCCc1cc(C(F)(F)F)ccc1F)c1cccc(O)c1[O-] ZINC001148224081 1379135490 /nfs/dbraw/zinc/13/54/90/1379135490.db2.gz BNCPDXRGTKCYNT-UHFFFAOYSA-N -1 3 343.276 3.228 20 10 EGCDHM Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589636 1379218540 /nfs/dbraw/zinc/21/85/40/1379218540.db2.gz FOYQPKKFKNKSMJ-UHFFFAOYSA-N -1 3 342.178 3.349 20 10 EGCDHM O=C(Nc1cccc2c(Cl)ccnc12)c1cc(O)c([O-])c(O)c1 ZINC001148586535 1379218852 /nfs/dbraw/zinc/21/88/52/1379218852.db2.gz RNLKNVDIWQRBPN-UHFFFAOYSA-N -1 3 330.727 3.257 20 10 EGCDHM CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001347401654 1391069751 /nfs/dbraw/zinc/06/97/51/1391069751.db2.gz SYHZEHRVYRGNFH-KRWDZBQOSA-N -1 3 344.842 3.027 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)c1[O-] ZINC001594059181 958077910 /nfs/dbraw/zinc/07/79/10/958077910.db2.gz YNFXUPNQTVIYHG-AWEZNQCLSA-N -1 3 339.750 3.109 20 10 EGCDHM COc1ccccc1C1(N[C@@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001599704259 991268940 /nfs/dbraw/zinc/26/89/40/991268940.db2.gz ONRGLXNICJVXFO-LBPRGKRZSA-N -1 3 327.380 3.439 20 10 EGCDHM CN(Cc1ccc(C(=O)[O-])n1C)Cc1ccc(N2CCCCC2)cc1 ZINC001598519346 992660207 /nfs/dbraw/zinc/66/02/07/992660207.db2.gz TXTZGNVOOXTSRN-UHFFFAOYSA-N -1 3 341.455 3.346 20 10 EGCDHM COc1ccc(N(C)CCN(C)[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001599583890 993586820 /nfs/dbraw/zinc/58/68/20/993586820.db2.gz ICKPEJAAVYZXPN-ZDUSSCGKSA-N -1 3 332.400 3.116 20 10 EGCDHM COc1ccc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1OC ZINC001599556983 998109693 /nfs/dbraw/zinc/10/96/93/998109693.db2.gz PFNLOESMNWLFGO-GFCCVEGCSA-N -1 3 345.395 3.001 20 10 EGCDHM Cc1ccc(C[NH2+][C@H](Cc2cc3ccccc3o2)C(=O)[O-])c([O-])c1 ZINC001607783126 1126234648 /nfs/dbraw/zinc/23/46/48/1126234648.db2.gz QTGMKLVXRMUPJL-MRXNPFEDSA-N -1 3 325.364 3.232 20 10 EGCDHM C[C@H](c1ccccc1)N(CCCS(C)(=O)=O)Cc1ccccc1[O-] ZINC000119282381 454183178 /nfs/dbraw/zinc/18/31/78/454183178.db2.gz QPLIVICXKYFJPB-MRXNPFEDSA-N -1 3 347.480 3.390 20 10 EGCDHM COc1cc(Cl)cc(CN(C)Cc2ncc(Cl)n2C)c1[O-] ZINC000184713193 455434715 /nfs/dbraw/zinc/43/47/15/455434715.db2.gz QCYAGLUSLXYISR-UHFFFAOYSA-N -1 3 330.215 3.073 20 10 EGCDHM C[C@@H](C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000134269997 454522275 /nfs/dbraw/zinc/52/22/75/454522275.db2.gz BGRPCMVBQPMBEQ-MLGOLLRUSA-N -1 3 336.863 3.172 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000092661791 454605339 /nfs/dbraw/zinc/60/53/39/454605339.db2.gz FEXJIMJHYBGLSU-INIZCTEOSA-N -1 3 325.836 3.206 20 10 EGCDHM COc1cc(C(=O)Nc2cccc(N3CCCC3)c2)cc(OC)c1[O-] ZINC000136743261 454754382 /nfs/dbraw/zinc/75/43/82/454754382.db2.gz QPYVPOLTCVNQCY-UHFFFAOYSA-N -1 3 342.395 3.262 20 10 EGCDHM COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000184883562 455466038 /nfs/dbraw/zinc/46/60/38/455466038.db2.gz HEZMUGZEAJNYAT-LLVKDONJSA-N -1 3 335.375 3.408 20 10 EGCDHM CC[C@@H]1c2ccsc2CCN1C(=O)CN(C)Cc1ccccc1[O-] ZINC000111235888 454859371 /nfs/dbraw/zinc/85/93/71/454859371.db2.gz JOHGAJHZDYQBLL-MRXNPFEDSA-N -1 3 344.480 3.422 20 10 EGCDHM CCc1noc(C)c1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000119057928 455123200 /nfs/dbraw/zinc/12/32/00/455123200.db2.gz UARUDSFRKZTERS-MRXNPFEDSA-N -1 3 330.428 3.432 20 10 EGCDHM CCN(Cc1csnn1)Cc1cc(Br)ccc1[O-] ZINC000180221445 455149427 /nfs/dbraw/zinc/14/94/27/455149427.db2.gz IKWAUFGKGJROLN-UHFFFAOYSA-N -1 3 328.235 3.028 20 10 EGCDHM CCCOc1ccc(CNCc2cn3cc(C)ccc3n2)c([O-])c1 ZINC000264388626 455203668 /nfs/dbraw/zinc/20/36/68/455203668.db2.gz RHHKGBVGPFRTLJ-UHFFFAOYSA-N -1 3 325.412 3.427 20 10 EGCDHM CCCOc1ccc(CN2CCSC[C@H]2c2cnn(C)c2)c([O-])c1 ZINC000191747842 455516117 /nfs/dbraw/zinc/51/61/17/455516117.db2.gz NRMJNIAMRSFDTQ-KRWDZBQOSA-N -1 3 347.484 3.205 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC(C(=O)C(F)(F)F)CC2)c1[O-] ZINC000186077025 455689990 /nfs/dbraw/zinc/68/99/90/455689990.db2.gz MEYKMLMKNZVYFF-UHFFFAOYSA-N -1 3 347.308 3.077 20 10 EGCDHM COc1c([O-])c(CN2Cc3ccccc3O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000292820418 455763157 /nfs/dbraw/zinc/76/31/57/455763157.db2.gz PUJXIWXBBKYFGB-GFCCVEGCSA-N -1 3 344.367 3.092 20 10 EGCDHM [O-]c1cccc(Cl)c1CNCc1cccc(N2CCOCC2)c1 ZINC000293107118 455775149 /nfs/dbraw/zinc/77/51/49/455775149.db2.gz YFRUFAHSCDUWRK-UHFFFAOYSA-N -1 3 332.831 3.172 20 10 EGCDHM Cc1nc(N2CCOCC2)ccc1N[C@H](C)c1ccc(F)cc1[O-] ZINC000186489247 455780581 /nfs/dbraw/zinc/78/05/81/455780581.db2.gz LFOQYLLCGKUTGP-GFCCVEGCSA-N -1 3 331.391 3.244 20 10 EGCDHM C=Cn1cc(CN(CC)Cc2cc(Br)ccc2[O-])cn1 ZINC000194052469 455795904 /nfs/dbraw/zinc/79/59/04/455795904.db2.gz TUNDANBRCSQLAG-UHFFFAOYSA-N -1 3 336.233 3.474 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000285327478 455823459 /nfs/dbraw/zinc/82/34/59/455823459.db2.gz XGSWJQGKNJLUDB-OCCSQVGLSA-N -1 3 326.780 3.097 20 10 EGCDHM CCCN(CCS(=O)(=O)Cc1ccccc1)Cc1ccccc1[O-] ZINC000279790257 455873941 /nfs/dbraw/zinc/87/39/41/455873941.db2.gz VIAVLMYLIXMCCD-UHFFFAOYSA-N -1 3 347.480 3.219 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCn2cccc2[C@H]1c1ccccc1 ZINC000188255395 456030072 /nfs/dbraw/zinc/03/00/72/456030072.db2.gz OJJFZWPHVHZJSF-GOSISDBHSA-N -1 3 334.375 3.145 20 10 EGCDHM CC[C@H](N[C@@H](C)C(=O)NCCF)c1cc(Cl)cc(Cl)c1[O-] ZINC000286988654 456059048 /nfs/dbraw/zinc/05/90/48/456059048.db2.gz JMEYIFFFRZGPSX-UFBFGSQYSA-N -1 3 337.222 3.214 20 10 EGCDHM COc1ccc2c(c1)CCCCN2C(=O)c1ccc(C)c(O)c1[O-] ZINC000272900679 456106639 /nfs/dbraw/zinc/10/66/39/456106639.db2.gz BVHYDLFKFIUZHQ-UHFFFAOYSA-N -1 3 327.380 3.398 20 10 EGCDHM COCCOc1ncccc1CN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273304892 456222586 /nfs/dbraw/zinc/22/25/86/456222586.db2.gz CJXMCWCIZMDBEZ-LBPRGKRZSA-N -1 3 336.819 3.317 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)c1noc(C)n1 ZINC000290080118 456234497 /nfs/dbraw/zinc/23/44/97/456234497.db2.gz UZOPZOHBEBVNAY-SECBINFHSA-N -1 3 340.221 3.429 20 10 EGCDHM COc1ccc2c(c1)[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CCO2 ZINC000274392119 456257533 /nfs/dbraw/zinc/25/75/33/456257533.db2.gz OMCUDQBIIWILRX-BZNIZROVSA-N -1 3 344.367 3.483 20 10 EGCDHM C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000281799324 456324636 /nfs/dbraw/zinc/32/46/36/456324636.db2.gz YFDPHJVFEIPCEW-ZJUUUORDSA-N -1 3 331.243 3.361 20 10 EGCDHM COCc1nsc([N-]C(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC000276819173 456590015 /nfs/dbraw/zinc/59/00/15/456590015.db2.gz VYKDTJQGTXHILH-UHFFFAOYSA-N -1 3 348.453 3.406 20 10 EGCDHM C[C@H]1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC[S@]1=O ZINC000277447506 456829019 /nfs/dbraw/zinc/82/90/19/456829019.db2.gz JRCMPJISYAKXAX-NPMXOYFQSA-N -1 3 329.465 3.402 20 10 EGCDHM COc1c([O-])c(CN2CCC[C@@H]2c2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000373907303 457394251 /nfs/dbraw/zinc/39/42/51/457394251.db2.gz FZMIXPCIPWTPTJ-OAHLLOKOSA-N -1 3 343.383 3.350 20 10 EGCDHM COc1ccccc1-c1noc([C@@H](C)NCc2cc(F)ccc2[O-])n1 ZINC000365245396 457732665 /nfs/dbraw/zinc/73/26/65/457732665.db2.gz WCXSWNNSLKLENX-LLVKDONJSA-N -1 3 343.358 3.441 20 10 EGCDHM CCOc1nnc(CN(Cc2ccco2)Cc2ccccc2[O-])s1 ZINC000731844303 575212018 /nfs/dbraw/zinc/21/20/18/575212018.db2.gz OUALGXYOAZBMBR-UHFFFAOYSA-N -1 3 345.424 3.438 20 10 EGCDHM COc1ccccc1[C@@H](CNC(=O)c1cc([O-])cs1)N1CCCC1 ZINC000731864127 575213469 /nfs/dbraw/zinc/21/34/69/575213469.db2.gz QARARLOIKKQKMB-OAHLLOKOSA-N -1 3 346.452 3.029 20 10 EGCDHM O=C(N=c1sccn1Cc1ccccc1F)c1cc([O-])cs1 ZINC000731867018 575216166 /nfs/dbraw/zinc/21/61/66/575216166.db2.gz AOWGXFUAVABTIC-UHFFFAOYSA-N -1 3 334.397 3.245 20 10 EGCDHM Cc1nn(C)c2nc(Cl)c(CN(C)Cc3ccccc3[O-])cc12 ZINC000732203638 575244345 /nfs/dbraw/zinc/24/43/45/575244345.db2.gz ZUWXLGAPFCFWHZ-UHFFFAOYSA-N -1 3 330.819 3.268 20 10 EGCDHM Cn1ccnc1COc1ccc(COC(=O)c2cc([O-])cs2)cc1 ZINC000732355003 575261906 /nfs/dbraw/zinc/26/19/06/575261906.db2.gz ZHWNOAXQVKSZHQ-UHFFFAOYSA-N -1 3 344.392 3.123 20 10 EGCDHM Cc1cccc2c1C(=O)N[C@H](c1ccc(Br)cc1[O-])N2 ZINC000877848426 1299609123 /nfs/dbraw/zinc/60/91/23/1299609123.db2.gz PTHMMWCLAWCODE-CQSZACIVSA-N -1 3 333.185 3.317 20 10 EGCDHM C[C@@H](NCc1cccc(Br)c1[O-])c1nnc2ccccn21 ZINC000048796025 1291618621 /nfs/dbraw/zinc/61/86/21/1291618621.db2.gz OIPMMUAKGBQNMM-SNVBAGLBSA-N -1 3 347.216 3.048 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN2CCOC[C@@H]2C2CCC2)c1 ZINC000843427783 1321517662 /nfs/dbraw/zinc/51/76/62/1321517662.db2.gz COYVAGWGEOPZAO-OAHLLOKOSA-N -1 3 340.261 3.464 20 10 EGCDHM CC[C@H](Nc1ccc(O[C@H]2CC(=O)N2)cc1)c1ccc(F)cc1[O-] ZINC000834894298 1293166611 /nfs/dbraw/zinc/16/66/11/1293166611.db2.gz SCGBMFWFXCAVSV-YJBOKZPZSA-N -1 3 330.359 3.319 20 10 EGCDHM CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1c([O-])cccc1Cl ZINC000131001954 1293676309 /nfs/dbraw/zinc/67/63/09/1293676309.db2.gz IISWGKQMGYODQI-UHFFFAOYSA-N -1 3 340.757 3.394 20 10 EGCDHM Cc1nccc(-c2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2)n1 ZINC000181950202 1295007507 /nfs/dbraw/zinc/00/75/07/1295007507.db2.gz XIXKOCLAHZOJNO-UHFFFAOYSA-N -1 3 335.363 3.424 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c([O-])c1O ZINC000182408945 1295044166 /nfs/dbraw/zinc/04/41/66/1295044166.db2.gz AUIUFAAZHKJCHH-UHFFFAOYSA-N -1 3 342.395 3.105 20 10 EGCDHM C[C@H](NCC(F)(F)CNC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000379809895 1297540931 /nfs/dbraw/zinc/54/09/31/1297540931.db2.gz JRTBWXJGKPOCPI-JTQLQIEISA-N -1 3 348.365 3.342 20 10 EGCDHM CN1C(=O)c2ccccc2N[C@H]1c1ccc(Br)cc1[O-] ZINC000877843729 1299606221 /nfs/dbraw/zinc/60/62/21/1299606221.db2.gz AVPQABOCMIFYPX-CQSZACIVSA-N -1 3 333.185 3.351 20 10 EGCDHM COCCOc1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000756821651 1300570946 /nfs/dbraw/zinc/57/09/46/1300570946.db2.gz ZESYNVOTPUUHNV-ZDUSSCGKSA-N -1 3 345.395 3.377 20 10 EGCDHM COCc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)c1 ZINC000882799004 1302109164 /nfs/dbraw/zinc/10/91/64/1302109164.db2.gz LZPHHMVLOPQPGF-UHFFFAOYSA-N -1 3 335.425 3.463 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768224161 1302858272 /nfs/dbraw/zinc/85/82/72/1302858272.db2.gz UCKYQTFWOHYIPZ-UHFFFAOYSA-N -1 3 326.824 3.098 20 10 EGCDHM CC(C)C[C@@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000769400030 1303107047 /nfs/dbraw/zinc/10/70/47/1303107047.db2.gz ZZYAVKXXTWTROZ-CQSZACIVSA-N -1 3 328.250 3.402 20 10 EGCDHM Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000770477306 1303274301 /nfs/dbraw/zinc/27/43/01/1303274301.db2.gz QGQJPFHNGZZYFZ-UHFFFAOYSA-N -1 3 325.324 3.017 20 10 EGCDHM CN(CCOc1ccccc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000771932045 1303463243 /nfs/dbraw/zinc/46/32/43/1303463243.db2.gz UBFAETSRNXIACW-UHFFFAOYSA-N -1 3 336.775 3.465 20 10 EGCDHM COc1cc(OC)c(OC)cc1CN[C@H](C)c1c([O-])cccc1F ZINC000886491575 1303475151 /nfs/dbraw/zinc/47/51/51/1303475151.db2.gz INTNDTWZKVNKKD-LLVKDONJSA-N -1 3 335.375 3.408 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000775139641 1303915561 /nfs/dbraw/zinc/91/55/61/1303915561.db2.gz WMMZKHDHFAKAHQ-OQPBUACISA-N -1 3 341.732 3.320 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCN(CCOc2ccccc2)CC1 ZINC000775646750 1304003309 /nfs/dbraw/zinc/00/33/09/1304003309.db2.gz NQKBMOOWEKEJPE-UHFFFAOYSA-N -1 3 346.858 3.242 20 10 EGCDHM O=C(NCCc1cc(Cl)cc(Cl)c1)c1cccc(O)c1[O-] ZINC000776340849 1304136542 /nfs/dbraw/zinc/13/65/42/1304136542.db2.gz BJULGFKCNSRDTE-UHFFFAOYSA-N -1 3 326.179 3.377 20 10 EGCDHM CN(C)C(=O)Sc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000776645694 1304181674 /nfs/dbraw/zinc/18/16/74/1304181674.db2.gz QOJVDPARSLEACP-UHFFFAOYSA-N -1 3 332.381 3.124 20 10 EGCDHM CCN(CC)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1F ZINC000776651518 1304182545 /nfs/dbraw/zinc/18/25/45/1304182545.db2.gz HFWLIXDHHUFMFR-UHFFFAOYSA-N -1 3 332.375 3.013 20 10 EGCDHM COC(=O)CN(CCc1ccccc1)Cc1c([O-])cccc1Cl ZINC000777444668 1304297462 /nfs/dbraw/zinc/29/74/62/1304297462.db2.gz SWIHAHQEGBOITG-UHFFFAOYSA-N -1 3 333.815 3.263 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2[O-])C(C)(C)C1 ZINC000779022853 1304519826 /nfs/dbraw/zinc/51/98/26/1304519826.db2.gz IVTAZAZPMWXSCD-UHFFFAOYSA-N -1 3 338.423 3.363 20 10 EGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000790336020 1306303101 /nfs/dbraw/zinc/30/31/01/1306303101.db2.gz MRXFTBNNIZDQKY-UHFFFAOYSA-N -1 3 347.314 3.242 20 10 EGCDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(O)c1[O-] ZINC000790589527 1306356595 /nfs/dbraw/zinc/35/65/95/1306356595.db2.gz JOBGVCNVDRVKJO-UHFFFAOYSA-N -1 3 326.396 3.018 20 10 EGCDHM COc1ccccc1C[C@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000790858281 1308875635 /nfs/dbraw/zinc/87/56/35/1308875635.db2.gz VHLYSPXSEFMLRT-HNNXBMFYSA-N -1 3 329.396 3.104 20 10 EGCDHM CCCCOc1ccc(C(=O)NCc2ccc(OC)cc2O)c([O-])c1 ZINC000794390004 1309517716 /nfs/dbraw/zinc/51/77/16/1309517716.db2.gz WEIIQRYWUZRMSM-UHFFFAOYSA-N -1 3 345.395 3.215 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCn2nc(C3CC3)cc2C1 ZINC000896940110 1310096056 /nfs/dbraw/zinc/09/60/56/1310096056.db2.gz SPCZFZGNAHUDLC-UHFFFAOYSA-N -1 3 348.244 3.244 20 10 EGCDHM Cc1noc(C[C@@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000897578783 1310393148 /nfs/dbraw/zinc/39/31/48/1310393148.db2.gz FYDQKGXVDJZULV-NSHDSACASA-N -1 3 339.798 3.331 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCOC[C@@H](C3CCC3)C2)c1[O-] ZINC000814178691 1318692040 /nfs/dbraw/zinc/69/20/40/1318692040.db2.gz ZVUWAKKUEBEXBH-ZDUSSCGKSA-N -1 3 340.807 3.202 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCc2c(nnn2-c2ccccc2)C1 ZINC000816618955 1319194866 /nfs/dbraw/zinc/19/48/66/1319194866.db2.gz NXWLOPLAUBXSDK-UHFFFAOYSA-N -1 3 340.814 3.185 20 10 EGCDHM Cc1cc([O-])c(CN(C)CC(=O)NCc2ccccc2)cc1Cl ZINC000824850708 1320291852 /nfs/dbraw/zinc/29/18/52/1320291852.db2.gz PAKGMNCRHHJZOC-UHFFFAOYSA-N -1 3 332.831 3.102 20 10 EGCDHM Cc1cc([O-])c(CNCc2n[nH]cc2Br)cc1Cl ZINC000825297529 1320325122 /nfs/dbraw/zinc/32/51/22/1320325122.db2.gz HLZCARHFXPLKPB-UHFFFAOYSA-N -1 3 330.613 3.129 20 10 EGCDHM Cc1cc([O-])c(CN2CCSC[C@H]2c2cnn(C)c2)cc1Cl ZINC000825686072 1320355341 /nfs/dbraw/zinc/35/53/41/1320355341.db2.gz RSNWXOYSVCDDJO-HNNXBMFYSA-N -1 3 337.876 3.378 20 10 EGCDHM [O-]c1cc(Br)ccc1CNCc1nnc(C2CC2)s1 ZINC000826122999 1320385001 /nfs/dbraw/zinc/38/50/01/1320385001.db2.gz BSVFZZSIOYPGNV-UHFFFAOYSA-N -1 3 340.246 3.173 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)c1nnc(C)[nH]1 ZINC000839497219 1320928858 /nfs/dbraw/zinc/92/88/58/1320928858.db2.gz BAKBWZQXGWMHRT-VIFPVBQESA-N -1 3 339.237 3.164 20 10 EGCDHM C[C@@H](N[C@@H](C)c1cc(Br)cc(F)c1[O-])c1ccn(C)n1 ZINC000840816455 1321155515 /nfs/dbraw/zinc/15/55/15/1321155515.db2.gz NLQSHWDYSRMLCC-DTWKUNHWSA-N -1 3 342.212 3.439 20 10 EGCDHM CCOCc1nc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2[O-])no1 ZINC000841752519 1321306386 /nfs/dbraw/zinc/30/63/86/1321306386.db2.gz BDEFKEJCOLKKAG-NXEZZACHSA-N -1 3 325.796 3.377 20 10 EGCDHM C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000843946607 1321559274 /nfs/dbraw/zinc/55/92/74/1321559274.db2.gz PYTOTHAIIBGEQS-IBGZPJMESA-N -1 3 329.371 3.474 20 10 EGCDHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(O)cc1Cl ZINC000849308943 1322110811 /nfs/dbraw/zinc/11/08/11/1322110811.db2.gz ZGWAKUUTOGGSER-UHFFFAOYSA-N -1 3 343.836 3.241 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cccnc1N1CCCC1 ZINC000850352980 1322231739 /nfs/dbraw/zinc/23/17/39/1322231739.db2.gz OEDNXMQJUUMRDV-UHFFFAOYSA-N -1 3 335.810 3.470 20 10 EGCDHM CSc1ccc([O-])c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000854324925 1325247966 /nfs/dbraw/zinc/24/79/66/1325247966.db2.gz STZRMHBRUAFCOV-UHFFFAOYSA-N -1 3 330.453 3.452 20 10 EGCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(O)c1[O-] ZINC000863941796 1329590301 /nfs/dbraw/zinc/59/03/01/1329590301.db2.gz LXKDONFFFXDXIG-UHFFFAOYSA-N -1 3 328.412 3.215 20 10 EGCDHM CN(C)c1ccc(-c2nc(C(=O)Nc3ncccc3[O-])cs2)cc1 ZINC001193160830 1367957164 /nfs/dbraw/zinc/95/71/64/1367957164.db2.gz FRUNBIZMTYVCED-UHFFFAOYSA-N -1 3 340.408 3.229 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001203656762 1370204112 /nfs/dbraw/zinc/20/41/12/1370204112.db2.gz XEQUOFTXDQGMPQ-CGTJXYLNSA-N -1 3 337.847 3.204 20 10 EGCDHM COC(=O)c1cccc2c1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203664392 1370207208 /nfs/dbraw/zinc/20/72/08/1370207208.db2.gz CSMSTZFPEITLCV-UHFFFAOYSA-N -1 3 331.799 3.391 20 10 EGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])CCN1c1ccc(F)cc1 ZINC001203664516 1370208515 /nfs/dbraw/zinc/20/85/15/1370208515.db2.gz IMDQVDURAMGORJ-UHFFFAOYSA-N -1 3 334.778 3.034 20 10 EGCDHM [O-]c1c(O)cccc1-c1nc(-c2cccc(-c3ccccn3)n2)no1 ZINC001215145833 1373177990 /nfs/dbraw/zinc/17/79/90/1373177990.db2.gz MBOYDUYVHCAYHC-UHFFFAOYSA-N -1 3 332.319 3.272 20 10 EGCDHM C[C@H]1C[C@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)CCO1 ZINC001226382428 1375249813 /nfs/dbraw/zinc/24/98/13/1375249813.db2.gz BTSDFWBDKHLCEW-NWDGAFQWSA-N -1 3 338.359 3.114 20 10 EGCDHM O=C([O-])c1ccc(C[NH+]2CCC(Sc3ccncc3)CC2)c([O-])c1 ZINC001231455903 1376245644 /nfs/dbraw/zinc/24/56/44/1376245644.db2.gz XFMKYMXWOCQHLT-UHFFFAOYSA-N -1 3 344.436 3.242 20 10 EGCDHM Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)c(C)c1 ZINC001231455897 1376245905 /nfs/dbraw/zinc/24/59/05/1376245905.db2.gz WRVCBWDPLIGBLO-UHFFFAOYSA-N -1 3 340.423 3.029 20 10 EGCDHM CCn1cc2c(n1)CN(Cc1cc(Cl)c(C)cc1[O-])C[C@@H]2COC ZINC001231868330 1376331278 /nfs/dbraw/zinc/33/12/78/1376331278.db2.gz TXMWZKYGEPKQQG-CQSZACIVSA-N -1 3 349.862 3.316 20 10 EGCDHM CC(C)N(C)Cc1cnc2n1CCN(Cc1cccc(Cl)c1[O-])C2 ZINC001231911117 1376347158 /nfs/dbraw/zinc/34/71/58/1376347158.db2.gz BYMCWBRMTPMKPO-UHFFFAOYSA-N -1 3 348.878 3.098 20 10 EGCDHM COc1cc([O-])c(CN2CCc3nc(Cl)ncc3C2)cc1Cl ZINC001232269787 1376427262 /nfs/dbraw/zinc/42/72/62/1376427262.db2.gz KXHAPINZAQYNMS-UHFFFAOYSA-N -1 3 340.210 3.056 20 10 EGCDHM C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(F)c(F)c1[O-] ZINC001233077325 1376563323 /nfs/dbraw/zinc/56/33/23/1376563323.db2.gz JCGCQHSVSPPNNP-AWEZNQCLSA-N -1 3 332.394 3.377 20 10 EGCDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335506 1376618790 /nfs/dbraw/zinc/61/87/90/1376618790.db2.gz YMAGRFKTEUIMKJ-LLVKDONJSA-N -1 3 342.386 3.112 20 10 EGCDHM CCOc1ccc(N2CCN(Cc3cccc(F)c3[O-])CC2)cc1 ZINC001138131377 1377683387 /nfs/dbraw/zinc/68/33/87/1377683387.db2.gz YFPLPLSIERFIRB-UHFFFAOYSA-N -1 3 330.403 3.252 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2[O-])C2(CC2)C1 ZINC001140058057 1377998357 /nfs/dbraw/zinc/99/83/57/1377998357.db2.gz QSMHYVLQOVJYIM-UHFFFAOYSA-N -1 3 336.407 3.117 20 10 EGCDHM COc1cc2c(cn1)CCN(Cc1c([O-])cccc1Br)C2 ZINC001140102422 1378007758 /nfs/dbraw/zinc/00/77/58/1378007758.db2.gz QHPVKQNUNNADPK-UHFFFAOYSA-N -1 3 349.228 3.117 20 10 EGCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Cl)Cc2nn(CC)cc21 ZINC001140339563 1378048848 /nfs/dbraw/zinc/04/88/48/1378048848.db2.gz XMUCCNKQSDRGON-CYBMUJFWSA-N -1 3 349.862 3.398 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001140342829 1378050231 /nfs/dbraw/zinc/05/02/31/1378050231.db2.gz ZVOWIEMSHQAXKU-HNNXBMFYSA-N -1 3 330.806 3.351 20 10 EGCDHM [O-]c1cc(F)cc(F)c1CN1CCC(O)(Cc2ccccc2)CC1 ZINC001140580132 1378089081 /nfs/dbraw/zinc/08/90/81/1378089081.db2.gz SLGFSGIPVWEARH-UHFFFAOYSA-N -1 3 333.378 3.240 20 10 EGCDHM O=C1N(CC2CCCC2)CC[C@@]12CCCN2Cc1cccc(F)c1[O-] ZINC001273304274 1378095955 /nfs/dbraw/zinc/09/59/55/1378095955.db2.gz LRBLWGGZEZATGS-FQEVSTJZSA-N -1 3 346.446 3.288 20 10 EGCDHM [O-]c1ccc(F)c(F)c1CN1CCCC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001276470368 1378174816 /nfs/dbraw/zinc/17/48/16/1378174816.db2.gz MZZHEADETXOBAR-UHFFFAOYSA-N -1 3 347.409 3.097 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc(C2CC2)on1 ZINC001146927394 1378944927 /nfs/dbraw/zinc/94/49/27/1378944927.db2.gz GDGZGHGEBPKRME-UHFFFAOYSA-N -1 3 343.770 3.389 20 10 EGCDHM CCOC(=O)c1c(NC(=O)c2cccc(O)c2[O-])sc2c1CCC2 ZINC001148212917 1379134522 /nfs/dbraw/zinc/13/45/22/1379134522.db2.gz OAARIYRLTCLVPY-UHFFFAOYSA-N -1 3 347.392 3.077 20 10 EGCDHM O=C(N[C@H]1CC[C@@H](OCc2ccccc2)CC1)c1cccc(O)c1[O-] ZINC001148224316 1379135224 /nfs/dbraw/zinc/13/52/24/1379135224.db2.gz HMZHHTQEFGGAGD-IYBDPMFKSA-N -1 3 341.407 3.356 20 10 EGCDHM CCc1cc2c(cc1CC)CC(NC(=O)c1cccc(O)c1[O-])C2 ZINC001148224367 1379135334 /nfs/dbraw/zinc/13/53/34/1379135334.db2.gz ITOXHLGKMVLJOG-UHFFFAOYSA-N -1 3 325.408 3.120 20 10 EGCDHM Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1cccc(O)c1[O-] ZINC001148225299 1379136179 /nfs/dbraw/zinc/13/61/79/1379136179.db2.gz KGEXNINJCPJTKP-SFHVURJKSA-N -1 3 341.407 3.474 20 10 EGCDHM [O-]c1c(CNc2ncnc3c2COC3)cc(Cl)c2cccnc12 ZINC001168522062 1383929170 /nfs/dbraw/zinc/92/91/70/1383929170.db2.gz OKQHSPGJSRFDQT-UHFFFAOYSA-N -1 3 328.759 3.026 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000843039635 955619931 /nfs/dbraw/zinc/61/99/31/955619931.db2.gz DEKSYBLIVFITAW-RNCFNFMXSA-N -1 3 342.233 3.006 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000843039635 955619942 /nfs/dbraw/zinc/61/99/42/955619942.db2.gz DEKSYBLIVFITAW-RNCFNFMXSA-N -1 3 342.233 3.006 20 10 EGCDHM CC[C@@H](C)C[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)[O-] ZINC001594953015 982675925 /nfs/dbraw/zinc/67/59/25/982675925.db2.gz LRQQZGLOCUAWCU-RNCFNFMXSA-N -1 3 344.249 3.442 20 10 EGCDHM CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccco1 ZINC001596256181 983666859 /nfs/dbraw/zinc/66/68/59/983666859.db2.gz NILYZMOMOLXJRT-BBRMVZONSA-N -1 3 346.427 3.417 20 10 EGCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@H](c1ccccc1)N(C)C ZINC001593196178 994152992 /nfs/dbraw/zinc/15/29/92/994152992.db2.gz GCWVWQLZTIVJJU-IQUTYRLHSA-N -1 3 342.439 3.432 20 10 EGCDHM C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252149 994503758 /nfs/dbraw/zinc/50/37/58/994503758.db2.gz PFEFLURXXLXVMT-CYBMUJFWSA-N -1 3 326.396 3.258 20 10 EGCDHM C[C@@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594380139 999435426 /nfs/dbraw/zinc/43/54/26/999435426.db2.gz HGWHONPWOJYSQA-ZIAGYGMSSA-N -1 3 334.460 3.252 20 10 EGCDHM Cc1ccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000066653262 453859244 /nfs/dbraw/zinc/85/92/44/453859244.db2.gz KSWFIVBLINALKD-WEVVVXLNSA-N -1 3 338.407 3.189 20 10 EGCDHM COc1cc(Cl)cc(CN(C)Cc2nccn2C(F)F)c1[O-] ZINC000184679879 455426870 /nfs/dbraw/zinc/42/68/70/455426870.db2.gz UIXLBTHEPUXLTF-UHFFFAOYSA-N -1 3 331.750 3.278 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(Cn2ccnn2)CC1 ZINC000092098413 454520750 /nfs/dbraw/zinc/52/07/50/454520750.db2.gz DHSKBYPLDYPOEX-UHFFFAOYSA-N -1 3 341.242 3.203 20 10 EGCDHM CCCOc1ccc(CNCc2cn3cccc(C)c3n2)c([O-])c1 ZINC000124020615 454693897 /nfs/dbraw/zinc/69/38/97/454693897.db2.gz WMEUMERVJMZBBA-UHFFFAOYSA-N -1 3 325.412 3.427 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1[O-] ZINC000177037213 454815077 /nfs/dbraw/zinc/81/50/77/454815077.db2.gz NSCZPPNSQIAQBH-GFCCVEGCSA-N -1 3 333.819 3.351 20 10 EGCDHM Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)c([O-])c1O ZINC000179480825 455050934 /nfs/dbraw/zinc/05/09/34/455050934.db2.gz IRLDAHSBOYOXES-HNNXBMFYSA-N -1 3 347.798 3.273 20 10 EGCDHM COc1cc(Cl)cc(CN2CCc3ccccc3[C@@H]2CO)c1[O-] ZINC000184694789 455429572 /nfs/dbraw/zinc/42/95/72/455429572.db2.gz UGJLKMMLCZFLQJ-INIZCTEOSA-N -1 3 333.815 3.146 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1[O-] ZINC000267371411 455548252 /nfs/dbraw/zinc/54/82/52/455548252.db2.gz KNFIOTFLAHJEHJ-GFCCVEGCSA-N -1 3 333.819 3.351 20 10 EGCDHM CCNC(=O)COc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000186263044 455728450 /nfs/dbraw/zinc/72/84/50/455728450.db2.gz NZHHNUFTEJRRRD-LBPRGKRZSA-N -1 3 332.375 3.219 20 10 EGCDHM C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccc(F)cc1[O-] ZINC000186263677 455728674 /nfs/dbraw/zinc/72/86/74/455728674.db2.gz LIVBSNAIFUFABK-LBPRGKRZSA-N -1 3 332.375 3.171 20 10 EGCDHM COc1c([O-])c(CN2CCC(OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278143529 455769149 /nfs/dbraw/zinc/76/91/49/455769149.db2.gz BFTBCOGAVVGISO-UHFFFAOYSA-N -1 3 338.404 3.089 20 10 EGCDHM Cc1nnsc1CN[C@H](C)c1ccc(Br)cc1[O-] ZINC000293780512 455797175 /nfs/dbraw/zinc/79/71/75/455797175.db2.gz TWXLEXPMQAZLAH-SSDOTTSWSA-N -1 3 328.235 3.165 20 10 EGCDHM CCOC(=O)[C@@H](F)C1CN(Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000293909283 455800628 /nfs/dbraw/zinc/80/06/28/455800628.db2.gz LRPOZEXZJJXJSF-IBGZPJMESA-N -1 3 343.398 3.392 20 10 EGCDHM CC[C@@H](NCc1cccnc1OCCOC)c1ccc(F)cc1[O-] ZINC000285474440 455852942 /nfs/dbraw/zinc/85/29/42/455852942.db2.gz BBQRNVSLFOUNGI-MRXNPFEDSA-N -1 3 334.391 3.192 20 10 EGCDHM COc1c([O-])c(CN[C@H]2CCCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000278897260 455852946 /nfs/dbraw/zinc/85/29/46/455852946.db2.gz QOEFMAAZQPIQLP-AWEZNQCLSA-N -1 3 344.367 3.313 20 10 EGCDHM C[C@@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000187713127 455942890 /nfs/dbraw/zinc/94/28/90/455942890.db2.gz VVXDRHBJODCJAB-MLGOLLRUSA-N -1 3 348.393 3.021 20 10 EGCDHM COc1ccc([C@H](CCO)N[C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000187763782 455950244 /nfs/dbraw/zinc/95/02/44/455950244.db2.gz AFGIQCQPQXVEDA-ZBEGNZNMSA-N -1 3 337.366 3.453 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000188324042 456044464 /nfs/dbraw/zinc/04/44/64/456044464.db2.gz AHXDJIKZQOQFBF-OAHLLOKOSA-N -1 3 345.370 3.058 20 10 EGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286672488 456051301 /nfs/dbraw/zinc/05/13/01/456051301.db2.gz BQDUTIBHFXHEAK-HNNXBMFYSA-N -1 3 336.775 3.167 20 10 EGCDHM CCCOc1ccc(CN(CCOC)Cc2ccccn2)c([O-])c1 ZINC000289720402 456137685 /nfs/dbraw/zinc/13/76/85/456137685.db2.gz HGOKEWXJCOOJLE-UHFFFAOYSA-N -1 3 330.428 3.225 20 10 EGCDHM COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000273364843 456225140 /nfs/dbraw/zinc/22/51/40/456225140.db2.gz DVXOWDBQSZOHLL-LLVKDONJSA-N -1 3 332.356 3.168 20 10 EGCDHM C[C@H](NCc1cccc2c1OCCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273495064 456235264 /nfs/dbraw/zinc/23/52/64/456235264.db2.gz PAUDBGNGKPIRJH-LBPRGKRZSA-N -1 3 344.367 3.313 20 10 EGCDHM CCCOc1ccc(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])cn1 ZINC000273570677 456239543 /nfs/dbraw/zinc/23/95/43/456239543.db2.gz KQRUTQAWEYEUBU-CYBMUJFWSA-N -1 3 344.411 3.213 20 10 EGCDHM C[C@H](NCc1ccc(C(C)(C)O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274752141 456265154 /nfs/dbraw/zinc/26/51/54/456265154.db2.gz HSXVQJYMXWGEML-LBPRGKRZSA-N -1 3 330.384 3.379 20 10 EGCDHM Cc1cc(Br)cc([C@H](C)N[C@@H](C)c2nncn2C)c1[O-] ZINC000275270538 456271946 /nfs/dbraw/zinc/27/19/46/456271946.db2.gz BXGVFWFGQRMBCF-UWVGGRQHSA-N -1 3 339.237 3.003 20 10 EGCDHM CC[C@H](N[C@H]1CCc2cccc([O-])c21)c1nnc2n1CCCCC2 ZINC000297928753 456326666 /nfs/dbraw/zinc/32/66/66/456326666.db2.gz XLNBIISSYKPCDT-GJZGRUSLSA-N -1 3 326.444 3.438 20 10 EGCDHM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1O ZINC000290453204 456333212 /nfs/dbraw/zinc/33/32/12/456333212.db2.gz DJHLOYUWNDKASW-UHFFFAOYSA-N -1 3 339.388 3.257 20 10 EGCDHM COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c([O-])c1 ZINC000298347257 456432412 /nfs/dbraw/zinc/43/24/12/456432412.db2.gz GFASCBDGXACRFV-UHFFFAOYSA-N -1 3 340.423 3.272 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(C)cc(Cl)n2)c1 ZINC000282456796 456520362 /nfs/dbraw/zinc/52/03/62/456520362.db2.gz FTDMPAZDYMEMIZ-LLVKDONJSA-N -1 3 334.803 3.386 20 10 EGCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1c[n-]c2ccccc2c1=O ZINC000352122879 457340364 /nfs/dbraw/zinc/34/03/64/457340364.db2.gz UGLCMBPFERYDDI-UHFFFAOYSA-N -1 3 345.402 3.258 20 10 EGCDHM Cn1ccnc1[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000368133371 458013283 /nfs/dbraw/zinc/01/32/83/458013283.db2.gz IVWKTEAXLRORJC-JTQLQIEISA-N -1 3 326.227 3.422 20 10 EGCDHM COc1ccccc1[C@H](CNC(=O)c1cc([O-])cs1)N1CCCC1 ZINC000731864126 575213306 /nfs/dbraw/zinc/21/33/06/575213306.db2.gz QARARLOIKKQKMB-HNNXBMFYSA-N -1 3 346.452 3.029 20 10 EGCDHM O=C(NCCOc1cccc(C(F)(F)F)c1)c1cc([O-])cs1 ZINC000731871929 575214041 /nfs/dbraw/zinc/21/40/41/575214041.db2.gz QTNARMBGIGUMDZ-UHFFFAOYSA-N -1 3 331.315 3.281 20 10 EGCDHM O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cc([O-])cs1 ZINC000731909953 575218292 /nfs/dbraw/zinc/21/82/92/575218292.db2.gz MGTVTYJQMAFTBM-MRXNPFEDSA-N -1 3 345.420 3.364 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000732265417 575250492 /nfs/dbraw/zinc/25/04/92/575250492.db2.gz YDYUBCPBTKBJLP-UHFFFAOYSA-N -1 3 336.844 3.065 20 10 EGCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccc(OC(F)F)cc1 ZINC000732353557 575261684 /nfs/dbraw/zinc/26/16/84/575261684.db2.gz IAMWNLWOBDUWML-QMMMGPOBSA-N -1 3 342.319 3.483 20 10 EGCDHM O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cc([O-])cs1 ZINC000734176067 575447836 /nfs/dbraw/zinc/44/78/36/575447836.db2.gz BTJWLYHMIDEPOI-UHFFFAOYSA-N -1 3 349.799 3.130 20 10 EGCDHM O=C([O-])N1CCC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000739929079 576521476 /nfs/dbraw/zinc/52/14/76/576521476.db2.gz VIYYYDIIENRTOL-QGZVFWFLSA-N -1 3 326.396 3.291 20 10 EGCDHM Oc1ccc2c(c1CNc1cccc(F)c1-c1nnn[n-]1)CCCC2 ZINC000823732219 599064194 /nfs/dbraw/zinc/06/41/94/599064194.db2.gz JJZCBUWUQPDDIA-UHFFFAOYSA-N -1 3 339.374 3.202 20 10 EGCDHM Oc1ccc2c(c1CNc1cccc(F)c1-c1nn[n-]n1)CCCC2 ZINC000823732219 599064197 /nfs/dbraw/zinc/06/41/97/599064197.db2.gz JJZCBUWUQPDDIA-UHFFFAOYSA-N -1 3 339.374 3.202 20 10 EGCDHM COC(=O)CN(Cc1cccc(Br)c1[O-])C1CCCC1 ZINC000093707462 1292930720 /nfs/dbraw/zinc/93/07/20/1292930720.db2.gz ZSWQPECMGZUTCP-UHFFFAOYSA-N -1 3 342.233 3.072 20 10 EGCDHM CN(CCNC(=O)OC(C)(C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000835076903 1293202526 /nfs/dbraw/zinc/20/25/26/1293202526.db2.gz FOPURGRVFKMJLL-UHFFFAOYSA-N -1 3 332.803 3.141 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCN(Cc2cccc(O)c2)CC1 ZINC000128019812 1293580882 /nfs/dbraw/zinc/58/08/82/1293580882.db2.gz BVLFMAZHIRWJHN-UHFFFAOYSA-N -1 3 332.831 3.069 20 10 EGCDHM CCS[C@H](C)c1noc(CN(C)Cc2cc(F)ccc2[O-])n1 ZINC000180281018 1294876864 /nfs/dbraw/zinc/87/68/64/1294876864.db2.gz GNLWEYHDDDIGQP-SNVBAGLBSA-N -1 3 325.409 3.360 20 10 EGCDHM O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1cccc(O)c1[O-] ZINC000186978735 1295361244 /nfs/dbraw/zinc/36/12/44/1295361244.db2.gz HRQNYEPOBHZHCI-UHFFFAOYSA-N -1 3 334.322 3.229 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCN(C)C[C@@H]2c2ccccc2)c1[O-] ZINC000195617953 1296078281 /nfs/dbraw/zinc/07/82/81/1296078281.db2.gz OYJVIGMPYBHWIH-LJQANCHMSA-N -1 3 342.414 3.223 20 10 EGCDHM O=C1/C(=C/c2ccc([O-])c(F)c2)SC(=S)N1c1cccnc1 ZINC000255471458 1296535121 /nfs/dbraw/zinc/53/51/21/1296535121.db2.gz NFXYROJHCSDIFL-QPEQYQDCSA-N -1 3 332.381 3.332 20 10 EGCDHM O=S(=O)([N-]c1ccc(O)cc1Cl)c1cnn(C2CCCC2)c1 ZINC000872376833 1296929769 /nfs/dbraw/zinc/92/97/69/1296929769.db2.gz SIMPSTSHQRBNLO-UHFFFAOYSA-N -1 3 341.820 3.158 20 10 EGCDHM CCN(Cc1nnc(C)s1)Cc1cc(Br)ccc1[O-] ZINC000773432084 1303679838 /nfs/dbraw/zinc/67/98/38/1303679838.db2.gz OALVJGROBKKWSG-UHFFFAOYSA-N -1 3 342.262 3.337 20 10 EGCDHM COc1c([O-])c(CNc2ccc(OC(C)C)nc2)ccc1[N+](=O)[O-] ZINC000775034290 1303891750 /nfs/dbraw/zinc/89/17/50/1303891750.db2.gz PSWQPMHESKATGB-UHFFFAOYSA-N -1 3 333.344 3.103 20 10 EGCDHM [O-]c1ccc(F)cc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000775146225 1303914946 /nfs/dbraw/zinc/91/49/46/1303914946.db2.gz NPCQUQQAIHYEKR-UHFFFAOYSA-N -1 3 326.165 3.289 20 10 EGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000790528764 1306345015 /nfs/dbraw/zinc/34/50/15/1306345015.db2.gz WWKZGLWTGGAEQY-VIFPVBQESA-N -1 3 341.285 3.487 20 10 EGCDHM C[C@H](O)[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894430277 1308875811 /nfs/dbraw/zinc/87/58/11/1308875811.db2.gz CWUYPYZTKYWXFT-DTWKUNHWSA-N -1 3 334.641 3.011 20 10 EGCDHM O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000790921459 1308887741 /nfs/dbraw/zinc/88/77/41/1308887741.db2.gz INUAYEWJZWAGSH-AWEZNQCLSA-N -1 3 339.313 3.391 20 10 EGCDHM C[C@H]1C[C@H](NCc2c([O-])ccc(Cl)c2F)C(=O)N1c1ccccc1 ZINC000790974858 1308901823 /nfs/dbraw/zinc/90/18/23/1308901823.db2.gz XUPHTDDKVRCRDM-NHYWBVRUSA-N -1 3 348.805 3.468 20 10 EGCDHM CO[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1C ZINC000894905889 1309122650 /nfs/dbraw/zinc/12/26/50/1309122650.db2.gz WMSKNFIVMQTZPR-TVQRCGJNSA-N -1 3 332.213 3.151 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000826023849 1320379530 /nfs/dbraw/zinc/37/95/30/1320379530.db2.gz INYPVEDSKVJWFW-JKSUJKDBSA-N -1 3 338.245 3.298 20 10 EGCDHM Cc1noc([C@H]2CCCN2Cc2cc(Br)ccc2[O-])n1 ZINC000809721701 1317875472 /nfs/dbraw/zinc/87/54/72/1317875472.db2.gz XXQQTUAOEDFLLL-GFCCVEGCSA-N -1 3 338.205 3.183 20 10 EGCDHM C[C@@H](NCc1ccnc(N(C)C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815601174 1319026263 /nfs/dbraw/zinc/02/62/63/1319026263.db2.gz PFGUHDDTIBGTEF-SNVBAGLBSA-N -1 3 340.349 3.118 20 10 EGCDHM CC(C)[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCO1 ZINC000816675687 1319206054 /nfs/dbraw/zinc/20/60/54/1319206054.db2.gz IRNSRIVMETWVAG-CQSZACIVSA-N -1 3 328.796 3.201 20 10 EGCDHM Cc1ccc(C(=O)Nc2nc(CC(F)(F)F)cs2)c([O-])c1O ZINC000819307378 1319694112 /nfs/dbraw/zinc/69/41/12/1319694112.db2.gz VRNVJATXKFRMEL-UHFFFAOYSA-N -1 3 332.303 3.220 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCOC[C@H]1c1ccco1 ZINC000824803719 1320286965 /nfs/dbraw/zinc/28/69/65/1320286965.db2.gz YOSUBRLKEWBVQT-ZDUSSCGKSA-N -1 3 338.201 3.321 20 10 EGCDHM Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824926832 1320296486 /nfs/dbraw/zinc/29/64/86/1320296486.db2.gz IAXDGXMDSOZMBE-HNNXBMFYSA-N -1 3 335.835 3.267 20 10 EGCDHM C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1ccc2ccccc2c1[O-] ZINC000848556665 1321975048 /nfs/dbraw/zinc/97/50/48/1321975048.db2.gz CIFLLFYQZVLQIG-BLLLJJGKSA-N -1 3 338.411 3.366 20 10 EGCDHM [O-]c1cccc(CNCc2ccc(N3CCC(O)CC3)cc2)c1Cl ZINC000850406318 1322240870 /nfs/dbraw/zinc/24/08/70/1322240870.db2.gz BEMAJDRGOPPFSZ-UHFFFAOYSA-N -1 3 346.858 3.297 20 10 EGCDHM Cn1nc(CNCc2cccc(Br)c2[O-])cc1C1CC1 ZINC000922956832 1322661203 /nfs/dbraw/zinc/66/12/03/1322661203.db2.gz BGVIBTHCIJNFNF-UHFFFAOYSA-N -1 3 336.233 3.055 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCOC[C@@H]1c1ccco1 ZINC000862243896 1329470355 /nfs/dbraw/zinc/47/03/55/1329470355.db2.gz SSKYBSQCJAEHMS-CYBMUJFWSA-N -1 3 338.201 3.321 20 10 EGCDHM CC(C)OC(=O)[C@@H]1CCCN1Cc1c([O-])cccc1Br ZINC000862248397 1329470765 /nfs/dbraw/zinc/47/07/65/1329470765.db2.gz WQGDTQJQSSFBSR-ZDUSSCGKSA-N -1 3 342.233 3.071 20 10 EGCDHM COC(=O)[C@H](C)N(Cc1c([O-])cccc1Br)C1CCC1 ZINC000862341691 1329476425 /nfs/dbraw/zinc/47/64/25/1329476425.db2.gz XPPNASUQVXSLJH-JTQLQIEISA-N -1 3 342.233 3.071 20 10 EGCDHM CS(=O)(=O)c1cc(NCc2c([O-])cccc2Cl)ccc1F ZINC000864013099 1329593964 /nfs/dbraw/zinc/59/39/64/1329593964.db2.gz NJYBJESTHAXSJC-UHFFFAOYSA-N -1 3 329.780 3.200 20 10 EGCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@H]2OCCC[C@@H]2C1 ZINC001233026872 1376556431 /nfs/dbraw/zinc/55/64/31/1376556431.db2.gz HDYHCUQFYCBTQE-MEBBXXQBSA-N -1 3 344.224 3.295 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnc(C2CC2)o1 ZINC001185228459 1387657094 /nfs/dbraw/zinc/65/70/94/1387657094.db2.gz CBDBOGCJBBSTET-UHFFFAOYSA-N -1 3 343.770 3.389 20 10 EGCDHM COc1ccc(Cl)c(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001189606196 1367065886 /nfs/dbraw/zinc/06/58/86/1367065886.db2.gz ZBMYKZOTGNBEML-UHFFFAOYSA-N -1 3 349.742 3.133 20 10 EGCDHM COC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C ZINC001203579552 1370177416 /nfs/dbraw/zinc/17/74/16/1370177416.db2.gz ANQJKRPKYNOLRD-SKDRFNHKSA-N -1 3 332.227 3.473 20 10 EGCDHM COC(=O)[C@@H]1C[C@@H](C)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203580984 1370177858 /nfs/dbraw/zinc/17/78/58/1370177858.db2.gz XTAMIGFXEKDJMJ-MWLCHTKSSA-N -1 3 332.227 3.330 20 10 EGCDHM CCC(=O)[C@@H](CC)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380720 1375249004 /nfs/dbraw/zinc/24/90/04/1375249004.db2.gz ZXORPECSVDGKRT-OAHLLOKOSA-N -1 3 338.359 3.304 20 10 EGCDHM CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269083 1376426877 /nfs/dbraw/zinc/42/68/77/1376426877.db2.gz AEIFIKNFLOLQQH-BXUZGUMPSA-N -1 3 341.835 3.218 20 10 EGCDHM CCN(CC(=O)OC(C)(C)C)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232270131 1376428298 /nfs/dbraw/zinc/42/82/98/1376428298.db2.gz UTZZWUCHBVXUKG-UHFFFAOYSA-N -1 3 329.824 3.218 20 10 EGCDHM CCOC(=O)C[C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804259 1376987180 /nfs/dbraw/zinc/98/71/80/1376987180.db2.gz ZQHJPSUFGUDUSP-LLVKDONJSA-N -1 3 329.799 3.350 20 10 EGCDHM [O-]c1cccc(F)c1CN1CCN(c2nc3ccccc3s2)CC1 ZINC001137837526 1377626903 /nfs/dbraw/zinc/62/69/03/1377626903.db2.gz KNUBXIOGCRPKPM-UHFFFAOYSA-N -1 3 343.427 3.463 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])c(F)ccc2F)CCC[C@@]1(O)C(F)(F)F ZINC001139684134 1377933572 /nfs/dbraw/zinc/93/35/72/1377933572.db2.gz HVVNNFVGGGVJCD-XPTSAGLGSA-N -1 3 339.304 3.196 20 10 EGCDHM CCOC(=O)C1(CC)CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139687836 1377935001 /nfs/dbraw/zinc/93/50/01/1377935001.db2.gz QXXOZTYKQVWEBA-UHFFFAOYSA-N -1 3 327.371 3.226 20 10 EGCDHM O=C1CCN(Cc2c([O-])cccc2Br)[C@H]2CCCC[C@@H]12 ZINC001140098587 1378007035 /nfs/dbraw/zinc/00/70/35/1378007035.db2.gz GIHCWNMXUBAVIR-RISCZKNCSA-N -1 3 338.245 3.488 20 10 EGCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001140466584 1378068875 /nfs/dbraw/zinc/06/88/75/1378068875.db2.gz HNTVTQVKPLUVGG-CGTJXYLNSA-N -1 3 337.847 3.204 20 10 EGCDHM C[C@H]1CC[C@@H](CO)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367559 1378312424 /nfs/dbraw/zinc/31/24/24/1378312424.db2.gz FTQKSKDAJAZBSP-VHSXEESVSA-N -1 3 348.668 3.401 20 10 EGCDHM COC(=O)c1ccc2c(c1)CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142509157 1378451517 /nfs/dbraw/zinc/45/15/17/1378451517.db2.gz YYMFATXNDRKDGE-UHFFFAOYSA-N -1 3 333.334 3.015 20 10 EGCDHM CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142520942 1378452172 /nfs/dbraw/zinc/45/21/72/1378452172.db2.gz RTLBRTYGYGCIQY-LLVKDONJSA-N -1 3 327.371 3.224 20 10 EGCDHM CO[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])[C@H](C)C1 ZINC001144308678 1378715428 /nfs/dbraw/zinc/71/54/28/1378715428.db2.gz SVASCTDTXQMEBH-KOLCDFICSA-N -1 3 332.213 3.293 20 10 EGCDHM O=C1CCC[C@@H]2CN(Cc3cc(Br)c(F)cc3[O-])C[C@@H]12 ZINC001144308459 1378715511 /nfs/dbraw/zinc/71/55/11/1378715511.db2.gz NEKLFFNDNRPSSD-MWLCHTKSSA-N -1 3 342.208 3.095 20 10 EGCDHM CCOC(=O)Cc1ccc(Cl)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148218877 1379134672 /nfs/dbraw/zinc/13/46/72/1379134672.db2.gz LPUBFWBPGFGUIP-UHFFFAOYSA-N -1 3 349.770 3.109 20 10 EGCDHM COc1cc(C(F)(F)F)ccc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586526 1379218056 /nfs/dbraw/zinc/21/80/56/1379218056.db2.gz QXVICKBFEHJCPF-UHFFFAOYSA-N -1 3 343.257 3.083 20 10 EGCDHM [O-]c1c(CNc2ncnc3c2CCC3)cc(Cl)c2cccnc12 ZINC001157724296 1381015149 /nfs/dbraw/zinc/01/51/49/1381015149.db2.gz KTBLNKKCHAVBPG-UHFFFAOYSA-N -1 3 326.787 3.485 20 10 EGCDHM [O-]c1c(CNc2cccc3nncn32)cc(Cl)c2cccnc12 ZINC001168522240 1383929660 /nfs/dbraw/zinc/92/96/60/1383929660.db2.gz CGSAZEMNYKKYJE-UHFFFAOYSA-N -1 3 325.759 3.249 20 10 EGCDHM [O-]c1c(CNc2ncnn3cccc23)cc(Cl)c2cccnc12 ZINC001168523171 1383929882 /nfs/dbraw/zinc/92/98/82/1383929882.db2.gz LHEFLXGAPLOISY-UHFFFAOYSA-N -1 3 325.759 3.249 20 10 EGCDHM [O-]c1c(CNc2ncc3cc[nH]c3n2)cc(Cl)c2cccnc12 ZINC001168527809 1383930296 /nfs/dbraw/zinc/93/02/96/1383930296.db2.gz LHSICRJREZVZRV-UHFFFAOYSA-N -1 3 325.759 3.429 20 10 EGCDHM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCCCC3)c2)ccc1N ZINC001174302690 1385094634 /nfs/dbraw/zinc/09/46/34/1385094634.db2.gz IBQMQOGCRYEIQP-UHFFFAOYSA-N -1 3 345.468 3.368 20 10 EGCDHM C[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000843041334 969234869 /nfs/dbraw/zinc/23/48/69/969234869.db2.gz QNIXDTGJDSPRME-RISCZKNCSA-N -1 3 344.377 3.314 20 10 EGCDHM C[C@@H](NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccccc1O ZINC001604994102 972586831 /nfs/dbraw/zinc/58/68/31/972586831.db2.gz SHXYIYDBICZWCQ-KGLIPLIRSA-N -1 3 344.411 3.137 20 10 EGCDHM C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)c1ccccc1[O-] ZINC001604994102 972586841 /nfs/dbraw/zinc/58/68/41/972586841.db2.gz SHXYIYDBICZWCQ-KGLIPLIRSA-N -1 3 344.411 3.137 20 10 EGCDHM CCN(C)c1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC000849344431 979496326 /nfs/dbraw/zinc/49/63/26/979496326.db2.gz LUSPHBFVOSOELK-KGLIPLIRSA-N -1 3 344.377 3.228 20 10 EGCDHM CCN(CC)c1ccc(CN[C@@H](CC(F)(F)F)C(=O)[O-])cc1F ZINC000901778764 980509005 /nfs/dbraw/zinc/50/90/05/980509005.db2.gz NRXAXOCLSRMYOQ-LBPRGKRZSA-N -1 3 336.329 3.167 20 10 EGCDHM C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219052 994294995 /nfs/dbraw/zinc/29/49/95/994294995.db2.gz LSIMUYALECPSSQ-DIFFPNOSSA-N -1 3 326.396 3.401 20 10 EGCDHM C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])N(C)c1ccccc1 ZINC001593240323 994427947 /nfs/dbraw/zinc/42/79/47/994427947.db2.gz MYPOCTVDHZKJDE-KGLIPLIRSA-N -1 3 328.412 3.266 20 10 EGCDHM CCc1ncc(CNCc2cccc(Br)c2[O-])s1 ZINC000278429238 455835291 /nfs/dbraw/zinc/83/52/91/455835291.db2.gz SXBGNXMNQPDKHG-UHFFFAOYSA-N -1 3 327.247 3.463 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(Cn2cncn2)CC1 ZINC000189970055 455263475 /nfs/dbraw/zinc/26/34/75/455263475.db2.gz SHJRLGNUTJXAHJ-UHFFFAOYSA-N -1 3 341.242 3.203 20 10 EGCDHM C[C@@H](C(=O)NCc1ccccc1Cl)N(C)Cc1ccccc1[O-] ZINC000111236488 454858949 /nfs/dbraw/zinc/85/89/49/454858949.db2.gz NXPCXEZFBRZNRD-ZDUSSCGKSA-N -1 3 332.831 3.182 20 10 EGCDHM COC[C@H](NCc1cc(Br)ccc1[O-])c1ccco1 ZINC000177576826 454879721 /nfs/dbraw/zinc/87/97/21/454879721.db2.gz TWBOUWANHKEOSU-LBPRGKRZSA-N -1 3 326.190 3.225 20 10 EGCDHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c([O-])c1O ZINC000179480835 455051336 /nfs/dbraw/zinc/05/13/36/455051336.db2.gz IRLDAHSBOYOXES-OAHLLOKOSA-N -1 3 347.798 3.273 20 10 EGCDHM CC(=O)c1cc(F)cc(CN[C@@H](c2nc(C3CC3)no2)C(C)C)c1[O-] ZINC000179801216 455081193 /nfs/dbraw/zinc/08/11/93/455081193.db2.gz UTQNODKSTFRCTC-OAHLLOKOSA-N -1 3 347.390 3.481 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)c([O-])c1O ZINC000182838610 455175458 /nfs/dbraw/zinc/17/54/58/455175458.db2.gz RVUCYPBFSWOUNE-OAHLLOKOSA-N -1 3 326.396 3.123 20 10 EGCDHM Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)c([O-])c1O ZINC000182365337 455497603 /nfs/dbraw/zinc/49/76/03/455497603.db2.gz CHTNSEOUWQDZLJ-KRWDZBQOSA-N -1 3 334.375 3.321 20 10 EGCDHM CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000185195711 455519750 /nfs/dbraw/zinc/51/97/50/455519750.db2.gz PYEKZHCBMBHMCW-AWEZNQCLSA-N -1 3 330.403 3.231 20 10 EGCDHM CCCN1C(=O)CCc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC000193152683 455744160 /nfs/dbraw/zinc/74/41/60/455744160.db2.gz NMIXCOZORNBYLN-UHFFFAOYSA-N -1 3 340.379 3.039 20 10 EGCDHM CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000186372839 455753922 /nfs/dbraw/zinc/75/39/22/455753922.db2.gz UHOAZTSGZNZNEO-LBPRGKRZSA-N -1 3 337.416 3.176 20 10 EGCDHM CC[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccccc1[O-] ZINC000186424347 455765714 /nfs/dbraw/zinc/76/57/14/455765714.db2.gz WKYCSPOZVSTULV-MRXNPFEDSA-N -1 3 338.411 3.330 20 10 EGCDHM COc1c([O-])c(CN(C)[C@@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000278221191 455789860 /nfs/dbraw/zinc/78/98/60/455789860.db2.gz LNWNXQNIIMFDAJ-NSHDSACASA-N -1 3 332.356 3.208 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(F)(F)F ZINC000269153666 455800156 /nfs/dbraw/zinc/80/01/56/455800156.db2.gz MCSTXBQFASFYDV-UHFFFAOYSA-N -1 3 326.112 3.066 20 10 EGCDHM COC(=O)c1nc([C@H]2CCCN2Cc2ccccc2[O-])sc1C ZINC000279725913 455871434 /nfs/dbraw/zinc/87/14/34/455871434.db2.gz VFNYINVEBZSRPT-CYBMUJFWSA-N -1 3 332.425 3.281 20 10 EGCDHM CC[C@H](Nc1ccc(OCCC(N)=O)cc1)c1ccc(F)cc1[O-] ZINC000286325123 456024413 /nfs/dbraw/zinc/02/44/13/456024413.db2.gz YDBYCQSAKQFKKD-INIZCTEOSA-N -1 3 332.375 3.349 20 10 EGCDHM CC[C@@H](N[C@H](C)C(=O)NCCF)c1cc(Cl)cc(Cl)c1[O-] ZINC000286988650 456058989 /nfs/dbraw/zinc/05/89/89/456058989.db2.gz JMEYIFFFRZGPSX-PRHODGIISA-N -1 3 337.222 3.214 20 10 EGCDHM CCC[C@]1(CO)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000288677423 456103000 /nfs/dbraw/zinc/10/30/00/456103000.db2.gz CNEREMKVGIVVAZ-KRWDZBQOSA-N -1 3 325.836 3.233 20 10 EGCDHM CN(C)c1ncc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000271031925 456105248 /nfs/dbraw/zinc/10/52/48/456105248.db2.gz YWYLQNAEMUONRC-OAHLLOKOSA-N -1 3 347.484 3.096 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000289462508 456125656 /nfs/dbraw/zinc/12/56/56/456125656.db2.gz GQPYFQJNZRMIPO-WMZOPIPTSA-N -1 3 333.403 3.267 20 10 EGCDHM C[C@@H](NCc1cc(-c2ccccc2)ccc1[O-])c1nnc2n1CCC2 ZINC000263680529 456191292 /nfs/dbraw/zinc/19/12/92/456191292.db2.gz MKCSHQGMCOLBDY-CQSZACIVSA-N -1 3 334.423 3.448 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(OC(C)C)nc2)c1 ZINC000273426650 456230154 /nfs/dbraw/zinc/23/01/54/456230154.db2.gz UJEGGMHKZNGVBR-CYBMUJFWSA-N -1 3 344.411 3.212 20 10 EGCDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c1 ZINC000290515290 456349781 /nfs/dbraw/zinc/34/97/81/456349781.db2.gz MCQLBGFRNKKTIN-UHFFFAOYSA-N -1 3 335.425 3.426 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CCOc3c(F)cccc32)c1 ZINC000276238782 456422095 /nfs/dbraw/zinc/42/20/95/456422095.db2.gz AVZBSOKLYGZXLC-ZBEGNZNMSA-N -1 3 345.370 3.492 20 10 EGCDHM CCc1nnc(CNCc2cc(Br)cc(C)c2[O-])s1 ZINC000290903297 456463243 /nfs/dbraw/zinc/46/32/43/456463243.db2.gz MGWSGZWYRPKGRH-UHFFFAOYSA-N -1 3 342.262 3.167 20 10 EGCDHM COc1ccc2ccc([O-])c(C[N@H+](C[C@@H](C)C(=O)[O-])C3CC3)c2c1 ZINC000738079788 574666699 /nfs/dbraw/zinc/66/66/99/574666699.db2.gz SELQFTZASRNWEZ-GFCCVEGCSA-N -1 3 329.396 3.239 20 10 EGCDHM COc1ccc2ccc([O-])c(C[N@@H+](C[C@@H](C)C(=O)[O-])C3CC3)c2c1 ZINC000738079788 574666702 /nfs/dbraw/zinc/66/67/02/574666702.db2.gz SELQFTZASRNWEZ-GFCCVEGCSA-N -1 3 329.396 3.239 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000731864160 575213473 /nfs/dbraw/zinc/21/34/73/575213473.db2.gz MPIZLHAWKBKWGR-UHFFFAOYSA-N -1 3 336.844 3.065 20 10 EGCDHM O=C(OCCOc1ccc(Br)cc1)c1cc([O-])cs1 ZINC000731910200 575218610 /nfs/dbraw/zinc/21/86/10/575218610.db2.gz OGRYVOVPUCXZJN-UHFFFAOYSA-N -1 3 343.198 3.452 20 10 EGCDHM COc1cc(CN(C)C(=O)c2cc([O-])cs2)ccc1OC(F)F ZINC000732265171 575250552 /nfs/dbraw/zinc/25/05/52/575250552.db2.gz NWPSTGORKZHTJV-UHFFFAOYSA-N -1 3 343.351 3.336 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)C[C@@H]2COc3ccccc3O2)c1[O-] ZINC000079385439 1292556921 /nfs/dbraw/zinc/55/69/21/1292556921.db2.gz UXZHJZAAONKMEL-OAHLLOKOSA-N -1 3 345.370 3.006 20 10 EGCDHM CN(CCNC(=O)OC(C)(C)C)Cc1c([O-])ccc(Cl)c1F ZINC000835076482 1293202708 /nfs/dbraw/zinc/20/27/08/1293202708.db2.gz AJVBDIUNBCDYTD-UHFFFAOYSA-N -1 3 332.803 3.141 20 10 EGCDHM Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c([O-])c1O ZINC000177670880 1294685316 /nfs/dbraw/zinc/68/53/16/1294685316.db2.gz TVMSDKDHIUUQJD-UHFFFAOYSA-N -1 3 328.368 3.253 20 10 EGCDHM O=C(CC1CCCCC1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180028190 1294854406 /nfs/dbraw/zinc/85/44/06/1294854406.db2.gz BAPCPPGSPVJAPY-UHFFFAOYSA-N -1 3 334.435 3.146 20 10 EGCDHM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cccc(O)c1[O-] ZINC000185832946 1295288822 /nfs/dbraw/zinc/28/88/22/1295288822.db2.gz TVYAPBJDIPARKJ-SNVBAGLBSA-N -1 3 328.393 3.069 20 10 EGCDHM CCc1c(NC(=O)c2cccc(O)c2[O-])cnn1-c1cccc(C)c1 ZINC000192148222 1295737748 /nfs/dbraw/zinc/73/77/48/1295737748.db2.gz RONWEBDCZSNFIZ-UHFFFAOYSA-N -1 3 337.379 3.407 20 10 EGCDHM O=C(NCc1ccc(Oc2ccccc2)nc1)c1cccc(O)c1[O-] ZINC000192999092 1295824073 /nfs/dbraw/zinc/82/40/73/1295824073.db2.gz GPHZHTFXUSKRNB-UHFFFAOYSA-N -1 3 336.347 3.215 20 10 EGCDHM Cc1ncc(CNCc2cc(Cl)cc(Br)c2[O-])o1 ZINC000708100198 1298236290 /nfs/dbraw/zinc/23/62/90/1298236290.db2.gz UCRJGXPHBSGMRQ-UHFFFAOYSA-N -1 3 331.597 3.394 20 10 EGCDHM N=C1Nc2nc3ccccc3n2[C@@H](c2cc(Cl)c(F)cc2[O-])N1 ZINC000877843160 1299606595 /nfs/dbraw/zinc/60/65/95/1299606595.db2.gz ODTJGYPXQTUUIS-ZDUSSCGKSA-N -1 3 331.738 3.031 20 10 EGCDHM C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)c1ccc(F)cc1[O-] ZINC000756743256 1300557730 /nfs/dbraw/zinc/55/77/30/1300557730.db2.gz RCILZRNGBQLGON-JTQLQIEISA-N -1 3 330.338 3.306 20 10 EGCDHM CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1c([O-])cccc1Cl ZINC000768159651 1302840206 /nfs/dbraw/zinc/84/02/06/1302840206.db2.gz GAWQWYDYIBYWHJ-UHFFFAOYSA-N -1 3 329.787 3.326 20 10 EGCDHM CCc1ccc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])o1 ZINC000769379483 1303102590 /nfs/dbraw/zinc/10/25/90/1303102590.db2.gz AEBPDJDPTYTKMI-UHFFFAOYSA-N -1 3 337.803 3.376 20 10 EGCDHM C[C@@H](N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1c([O-])cccc1F ZINC000886627025 1303530601 /nfs/dbraw/zinc/53/06/01/1303530601.db2.gz RCLZUAGVMGDKDU-IAQYHMDHSA-N -1 3 332.350 3.127 20 10 EGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCCN(c2nccs2)CC1 ZINC000775663096 1304009376 /nfs/dbraw/zinc/00/93/76/1304009376.db2.gz YLYZFSVEUVMSOH-UHFFFAOYSA-N -1 3 341.839 3.354 20 10 EGCDHM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000777647929 1304330027 /nfs/dbraw/zinc/33/00/27/1304330027.db2.gz JDNVXYLXTJQMSY-UHFFFAOYSA-N -1 3 332.356 3.189 20 10 EGCDHM CC[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1O ZINC000894096716 1306218143 /nfs/dbraw/zinc/21/81/43/1306218143.db2.gz YSFSNGCQTJBGQM-PRHODGIISA-N -1 3 334.641 3.011 20 10 EGCDHM O=C(Nc1cccc(OCc2cscn2)c1)c1cccc(O)c1[O-] ZINC000790619518 1306363752 /nfs/dbraw/zinc/36/37/52/1306363752.db2.gz JELHRXPEFOIFAW-UHFFFAOYSA-N -1 3 342.376 3.386 20 10 EGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000894689813 1309023211 /nfs/dbraw/zinc/02/32/11/1309023211.db2.gz JOSAOHYGKTWUJB-UONOGXRCSA-N -1 3 344.224 3.437 20 10 EGCDHM CC(C)N(C)C(=O)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792166598 1309134387 /nfs/dbraw/zinc/13/43/87/1309134387.db2.gz CMYUPENUEISKCK-UHFFFAOYSA-N -1 3 342.842 3.264 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)c1[O-] ZINC000795062426 1309660582 /nfs/dbraw/zinc/66/05/82/1309660582.db2.gz QRURPJOVVGBQGO-CYBMUJFWSA-N -1 3 349.324 3.276 20 10 EGCDHM CC[C@@H](NCc1n[nH]cc1Br)c1ccc(F)cc1[O-] ZINC000796773061 1310083671 /nfs/dbraw/zinc/08/36/71/1310083671.db2.gz YPKLSFYKFAQDGR-LLVKDONJSA-N -1 3 328.185 3.258 20 10 EGCDHM CC[C@H](NCc1n[nH]cc1Br)c1ccc(F)cc1[O-] ZINC000796773062 1310083942 /nfs/dbraw/zinc/08/39/42/1310083942.db2.gz YPKLSFYKFAQDGR-NSHDSACASA-N -1 3 328.185 3.258 20 10 EGCDHM COCc1nccc(NCc2cc(C)cc(Br)c2[O-])n1 ZINC000902137651 1317529583 /nfs/dbraw/zinc/52/95/83/1317529583.db2.gz FLBISVHWVOFQGX-UHFFFAOYSA-N -1 3 338.205 3.012 20 10 EGCDHM CC(=O)NCC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809778938 1317898250 /nfs/dbraw/zinc/89/82/50/1317898250.db2.gz YMISSFIPBOHHTA-GFCCVEGCSA-N -1 3 345.270 3.437 20 10 EGCDHM COc1ccccc1CN(Cc1cc(F)cc(C(C)=O)c1[O-])OC ZINC000810107296 1317952425 /nfs/dbraw/zinc/95/24/25/1317952425.db2.gz FALLTPJFIOKKDB-UHFFFAOYSA-N -1 3 333.359 3.306 20 10 EGCDHM CN(C)c1ncn(-c2cccc(NCc3c([O-])cccc3Cl)c2)n1 ZINC000810156916 1317963967 /nfs/dbraw/zinc/96/39/67/1317963967.db2.gz ZMWORFJQUQGDJY-UHFFFAOYSA-N -1 3 343.818 3.304 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000816498705 1319167793 /nfs/dbraw/zinc/16/77/93/1319167793.db2.gz HTQCQKBZSAMGDX-AWEZNQCLSA-N -1 3 343.826 3.345 20 10 EGCDHM CCN(CC(=O)N1CCCCCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816609206 1319192769 /nfs/dbraw/zinc/19/27/69/1319192769.db2.gz VGTBVAUQNXYZKA-UHFFFAOYSA-N -1 3 342.842 3.409 20 10 EGCDHM Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c([O-])c1 ZINC000917386095 1319797900 /nfs/dbraw/zinc/79/79/00/1319797900.db2.gz OLTMVXGHKOPXAD-UHFFFAOYSA-N -1 3 342.464 3.184 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCCN(c2ccccc2Cl)CC1 ZINC000820611647 1319922356 /nfs/dbraw/zinc/92/23/56/1319922356.db2.gz WTRAAMJLEHFPCM-UHFFFAOYSA-N -1 3 346.814 3.104 20 10 EGCDHM Cc1nc(CN2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)oc1C ZINC000824708402 1320279493 /nfs/dbraw/zinc/27/94/93/1320279493.db2.gz DIAGBWGNELBNKA-UHFFFAOYSA-N -1 3 349.862 3.277 20 10 EGCDHM COC(=O)[C@H](Cc1ccccc1)NCc1cc(Cl)c(C)cc1[O-] ZINC000825667050 1320353835 /nfs/dbraw/zinc/35/38/35/1320353835.db2.gz SNVQFJZYYUNSJE-INIZCTEOSA-N -1 3 333.815 3.228 20 10 EGCDHM Cc1ncc(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])o1 ZINC000840795195 1321149486 /nfs/dbraw/zinc/14/94/86/1321149486.db2.gz WFZRRVAFZAXUCT-ZETCQYMHSA-N -1 3 329.169 3.441 20 10 EGCDHM C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(Cl)cc1[O-] ZINC000841747352 1321305148 /nfs/dbraw/zinc/30/51/48/1321305148.db2.gz AOLSGPLSCVEARY-GFCCVEGCSA-N -1 3 345.830 3.155 20 10 EGCDHM C/C=C\C[C@@H](NCc1c([O-])cccc1Br)C(=O)OCC ZINC000862345885 1329476338 /nfs/dbraw/zinc/47/63/38/1329476338.db2.gz GSOXEDHCAIRCKQ-HSBHDXMMSA-N -1 3 342.233 3.142 20 10 EGCDHM [O-]c1cc(Br)cc(F)c1CN1CCC[C@]2(CCOC2)C1 ZINC001233028484 1376557636 /nfs/dbraw/zinc/55/76/36/1376557636.db2.gz OTJWHGLQSWAKFL-HNNXBMFYSA-N -1 3 344.224 3.296 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001236662357 1376959884 /nfs/dbraw/zinc/95/98/84/1376959884.db2.gz CQSZPBLLULFEGJ-DOMZBBRYSA-N -1 3 340.261 3.464 20 10 EGCDHM Cc1cc(N)ncc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001209970066 1372244066 /nfs/dbraw/zinc/24/40/66/1372244066.db2.gz SKUKHVZATNWJDU-UHFFFAOYSA-N -1 3 345.358 3.197 20 10 EGCDHM Cc1nc2cc(-c3noc(-c4ccc(O)c(O)c4[O-])n3)ccc2s1 ZINC001215325546 1373197938 /nfs/dbraw/zinc/19/79/38/1373197938.db2.gz YPIHJKLPXXUOTC-UHFFFAOYSA-N -1 3 341.348 3.439 20 10 EGCDHM COc1nccc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c1F ZINC001216954350 1373370162 /nfs/dbraw/zinc/37/01/62/1373370162.db2.gz XAHIYZGTMKMZKB-UHFFFAOYSA-N -1 3 337.694 3.011 20 10 EGCDHM CC[C@@H](COC)Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229543304 1375853183 /nfs/dbraw/zinc/85/31/83/1375853183.db2.gz YOQNMVHYSPLJQY-LBPRGKRZSA-N -1 3 340.375 3.280 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c1 ZINC001231562925 1376265646 /nfs/dbraw/zinc/26/56/46/1376265646.db2.gz GDTMBZZPHQKDRX-AYBZRNKSSA-N -1 3 345.439 3.118 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c1 ZINC001231562925 1376265657 /nfs/dbraw/zinc/26/56/57/1376265657.db2.gz GDTMBZZPHQKDRX-AYBZRNKSSA-N -1 3 345.439 3.118 20 10 EGCDHM Cc1nccnc1O[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231913942 1376347996 /nfs/dbraw/zinc/34/79/96/1376347996.db2.gz VCCRRFKAOWQYKI-AWEZNQCLSA-N -1 3 333.819 3.187 20 10 EGCDHM [O-]c1cc(O)c(CN2CC[C@H](N3CCCC3)C(F)(F)C2)cc1Cl ZINC001232263511 1376426039 /nfs/dbraw/zinc/42/60/39/1376426039.db2.gz ADGGXTCDGPHTHM-HNNXBMFYSA-N -1 3 346.805 3.057 20 10 EGCDHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCCN1Cc1cccc(F)c1[O-] ZINC001138131343 1377683466 /nfs/dbraw/zinc/68/34/66/1377683466.db2.gz XFUMCNMKNUSQDT-WFASDCNBSA-N -1 3 338.423 3.409 20 10 EGCDHM CCN(CC(=O)OC(C)(C)C)Cc1c([O-])cccc1Br ZINC001140101425 1378007642 /nfs/dbraw/zinc/00/76/42/1378007642.db2.gz RDDGHZYEPGIIJB-UHFFFAOYSA-N -1 3 344.249 3.318 20 10 EGCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Cl)Cc2cnn(CC)c21 ZINC001140338988 1378048483 /nfs/dbraw/zinc/04/84/83/1378048483.db2.gz QEUSKZGHYBWQJF-AWEZNQCLSA-N -1 3 349.862 3.398 20 10 EGCDHM CC(C)(C)OC(=O)N1CC2(CN(Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001140462651 1378066444 /nfs/dbraw/zinc/06/64/44/1378066444.db2.gz KKZTVZIWZVHEBD-UHFFFAOYSA-N -1 3 338.835 3.098 20 10 EGCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H](COc2ccccc2)C1 ZINC001140466105 1378068457 /nfs/dbraw/zinc/06/84/57/1378068457.db2.gz XETLFYOCOSQSAS-QGZVFWFLSA-N -1 3 333.815 3.325 20 10 EGCDHM CC(C)=CCN1CC[C@]2(CCCN2Cc2c([O-])cccc2F)C1=O ZINC001273266131 1378092958 /nfs/dbraw/zinc/09/29/58/1378092958.db2.gz QMIILUGVPDDRJX-LJQANCHMSA-N -1 3 332.419 3.064 20 10 EGCDHM Cc1cccc(N2CCCN(Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001142527008 1378453555 /nfs/dbraw/zinc/45/35/55/1378453555.db2.gz GDNJQUCZCPPROK-UHFFFAOYSA-N -1 3 333.382 3.086 20 10 EGCDHM [O-]c1cc(F)c(F)cc1CN1CCC(Oc2ccc(F)cn2)CC1 ZINC001142530806 1378454191 /nfs/dbraw/zinc/45/41/91/1378454191.db2.gz LZGQNGPRUXKSNM-UHFFFAOYSA-N -1 3 338.329 3.248 20 10 EGCDHM COC(=O)c1cc2cccc(NC(=O)c3cccc(O)c3[O-])c2s1 ZINC001148219183 1379134858 /nfs/dbraw/zinc/13/48/58/1379134858.db2.gz WFYMAUPCXBLCBF-UHFFFAOYSA-N -1 3 343.360 3.351 20 10 EGCDHM COc1ccc(OC(F)(F)F)cc1NC(=O)c1cccc(O)c1[O-] ZINC001148218860 1379135002 /nfs/dbraw/zinc/13/50/02/1379135002.db2.gz KSLMUFPUADQTAC-UHFFFAOYSA-N -1 3 343.257 3.257 20 10 EGCDHM CCCC[C@H](CC)COCCCNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590211 1379218205 /nfs/dbraw/zinc/21/82/05/1379218205.db2.gz ZEZLVSVNUCORAV-ZDUSSCGKSA-N -1 3 339.432 3.156 20 10 EGCDHM CCCc1nc2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc2o1 ZINC001148587067 1379218561 /nfs/dbraw/zinc/21/85/61/1379218561.db2.gz CDDMZHKNCDMVJB-UHFFFAOYSA-N -1 3 328.324 3.149 20 10 EGCDHM Nc1cc([N+](=O)[O-])cnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157726415 1381016286 /nfs/dbraw/zinc/01/62/86/1381016286.db2.gz PKCQMGGDEYYOED-UHFFFAOYSA-N -1 3 345.746 3.091 20 10 EGCDHM [O-]c1c(CNc2cnc3c(c2)OCCO3)cc(Cl)c2cccnc12 ZINC001168523837 1383929942 /nfs/dbraw/zinc/92/99/42/1383929942.db2.gz TVSQQJXBYBPOPN-UHFFFAOYSA-N -1 3 343.770 3.372 20 10 EGCDHM CN(C)c1ncc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168524111 1383929980 /nfs/dbraw/zinc/92/99/80/1383929980.db2.gz WHBJRFGJBQUQBG-UHFFFAOYSA-N -1 3 329.791 3.062 20 10 EGCDHM [O-]c1c(F)cc(F)cc1CNCc1cccc(OCC(F)(F)F)n1 ZINC001333148683 1390256570 /nfs/dbraw/zinc/25/65/70/1390256570.db2.gz GHBYUBBXWOADHQ-UHFFFAOYSA-N -1 3 348.271 3.296 20 10 EGCDHM C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000824612615 946862403 /nfs/dbraw/zinc/86/24/03/946862403.db2.gz NTHBGTGYAMUMJA-VIFPVBQESA-N -1 3 347.781 3.216 20 10 EGCDHM C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000824612615 946862416 /nfs/dbraw/zinc/86/24/16/946862416.db2.gz NTHBGTGYAMUMJA-VIFPVBQESA-N -1 3 347.781 3.216 20 10 EGCDHM C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592459020 978175859 /nfs/dbraw/zinc/17/58/59/978175859.db2.gz IMRWHJVKCSOADG-VFVRVIDISA-N -1 3 329.396 3.253 20 10 EGCDHM C[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])Oc1ccccc1F ZINC001592706042 979172719 /nfs/dbraw/zinc/17/27/19/979172719.db2.gz IODBNONOZJTRCN-VXGBXAGGSA-N -1 3 333.359 3.348 20 10 EGCDHM CCOCc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1OC ZINC000841795157 979311533 /nfs/dbraw/zinc/31/15/33/979311533.db2.gz MMXWLLMJDJZNPC-UHFFFAOYSA-N -1 3 329.396 3.220 20 10 EGCDHM CCCN(Cc1ccccc1O)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595891233 982924960 /nfs/dbraw/zinc/92/49/60/982924960.db2.gz PQLKPEOMWBHTPZ-UHFFFAOYSA-N -1 3 344.367 3.411 20 10 EGCDHM COc1ccc(O)c(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC001599598746 993784810 /nfs/dbraw/zinc/78/48/10/993784810.db2.gz SCGWQOPOWIEWDL-IRXDYDNUSA-N -1 3 327.380 3.191 20 10 EGCDHM C[C@H](N[C@H](CCO)c1ccccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593211161 994262446 /nfs/dbraw/zinc/26/24/46/994262446.db2.gz VMKHHXMPBVRVID-MEDUHNTESA-N -1 3 333.359 3.004 20 10 EGCDHM CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001593229970 994355781 /nfs/dbraw/zinc/35/57/81/994355781.db2.gz AETQSZZHQIGIQE-DOMZBBRYSA-N -1 3 343.427 3.076 20 10 EGCDHM C[C@@H]([NH2+]CCCN1CCc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593268049 994590599 /nfs/dbraw/zinc/59/05/99/994590599.db2.gz ROUIVGCWLKUWGE-CQSZACIVSA-N -1 3 340.423 3.194 20 10 EGCDHM COc1ccc(N2CCCN(C(=O)c3cc(C)ccc3[O-])CC2)cc1 ZINC000055877378 454021775 /nfs/dbraw/zinc/02/17/75/454021775.db2.gz OERKARJARICHKC-UHFFFAOYSA-N -1 3 340.423 3.062 20 10 EGCDHM CN(Cc1ccccc1[O-])[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000095983171 454250920 /nfs/dbraw/zinc/25/09/20/454250920.db2.gz JWHBBXMPOSUMPM-CQSZACIVSA-N -1 3 337.828 3.006 20 10 EGCDHM O=C(NC1CCN(Cc2cc(Cl)ccc2[O-])CC1)c1ccccc1 ZINC000123059892 454597529 /nfs/dbraw/zinc/59/75/29/454597529.db2.gz XAWFSVRRUYZFQD-UHFFFAOYSA-N -1 3 344.842 3.440 20 10 EGCDHM C[C@@H](NC(=O)[C@H](C)N(C)Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000109771293 454836076 /nfs/dbraw/zinc/83/60/76/454836076.db2.gz OHZUNJVENCOLDF-KGLIPLIRSA-N -1 3 330.403 3.229 20 10 EGCDHM Cn1ccnc1C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191464027 455487571 /nfs/dbraw/zinc/48/75/71/455487571.db2.gz BXLHZAJGLLRRCW-GFCCVEGCSA-N -1 3 337.826 3.373 20 10 EGCDHM CCC1(CO)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000128372868 455050886 /nfs/dbraw/zinc/05/08/86/455050886.db2.gz MJMTVGJPMXPSLH-UHFFFAOYSA-N -1 3 325.836 3.233 20 10 EGCDHM O=C(c1ccc(F)cc1Cl)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179564152 455058811 /nfs/dbraw/zinc/05/88/11/455058811.db2.gz NAFJXPLDYMRRRR-UHFFFAOYSA-N -1 3 348.805 3.143 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179927206 455100204 /nfs/dbraw/zinc/10/02/04/455100204.db2.gz GFAZDSOUADFTTO-LBPRGKRZSA-N -1 3 340.851 3.392 20 10 EGCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc([O-])cc1Cl ZINC000182530383 455533744 /nfs/dbraw/zinc/53/37/44/455533744.db2.gz VIXGNWRADNBPKA-UHFFFAOYSA-N -1 3 346.814 3.080 20 10 EGCDHM COc1c([O-])c(CN2Cc3ccccc3O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000292820420 455763045 /nfs/dbraw/zinc/76/30/45/455763045.db2.gz PUJXIWXBBKYFGB-LBPRGKRZSA-N -1 3 344.367 3.092 20 10 EGCDHM COc1c([O-])c(CN2CCc3ccc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000278291817 455808831 /nfs/dbraw/zinc/80/88/31/455808831.db2.gz UXGXSDRBNWGNQZ-UHFFFAOYSA-N -1 3 332.331 3.006 20 10 EGCDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(O)c1[O-] ZINC000186800993 455838315 /nfs/dbraw/zinc/83/83/15/455838315.db2.gz BVESGYKCHCRQGC-UHFFFAOYSA-N -1 3 340.423 3.360 20 10 EGCDHM COc1c([O-])c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000278862915 455850242 /nfs/dbraw/zinc/85/02/42/455850242.db2.gz MAXRHKLPVYAOLN-SNVBAGLBSA-N -1 3 347.327 3.068 20 10 EGCDHM CCOc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1OC ZINC000278936947 455854276 /nfs/dbraw/zinc/85/42/76/455854276.db2.gz XDODFTXBJJRPKK-UHFFFAOYSA-N -1 3 348.355 3.328 20 10 EGCDHM Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CCCc2cccc([O-])c21 ZINC000255500761 455868458 /nfs/dbraw/zinc/86/84/58/455868458.db2.gz BVEAGSLPCPZCRY-HJWRWDBZSA-N -1 3 331.803 3.080 20 10 EGCDHM [O-]c1cccc2c1[C@H](NCc1nnc3ccc(C(F)(F)F)cn31)CC2 ZINC000296189385 455875469 /nfs/dbraw/zinc/87/54/69/455875469.db2.gz YMUZLCHOQOQLRN-GFCCVEGCSA-N -1 3 348.328 3.231 20 10 EGCDHM Cc1ccc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c([O-])c1O ZINC000286361934 456033656 /nfs/dbraw/zinc/03/36/56/456033656.db2.gz TTXDYRMXRUSIJV-YGRLFVJLSA-N -1 3 330.211 3.062 20 10 EGCDHM C[C@H](N[C@@H](CN(C)C)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000286868424 456056295 /nfs/dbraw/zinc/05/62/95/456056295.db2.gz BOIWQAADAWZAFI-SJCJKPOMSA-N -1 3 347.390 3.393 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(OC)c(OC)c2)c1 ZINC000273422054 456228770 /nfs/dbraw/zinc/22/87/70/456228770.db2.gz SJTDEBLSRHNEST-LBPRGKRZSA-N -1 3 345.395 3.047 20 10 EGCDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464248 456231820 /nfs/dbraw/zinc/23/18/20/456231820.db2.gz DJNREXOSEJCMMG-JTQLQIEISA-N -1 3 347.327 3.068 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(OC)cc(OC)c2)c1 ZINC000273474241 456233663 /nfs/dbraw/zinc/23/36/63/456233663.db2.gz KIOBSBOPUOKSBZ-NSHDSACASA-N -1 3 331.368 3.369 20 10 EGCDHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1 ZINC000290569898 456367237 /nfs/dbraw/zinc/36/72/37/456367237.db2.gz TZRQDUGQNWHGOW-UHFFFAOYSA-N -1 3 335.425 3.426 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCOc3c(F)cccc32)c1 ZINC000276238779 456422117 /nfs/dbraw/zinc/42/21/17/456422117.db2.gz AVZBSOKLYGZXLC-BZNIZROVSA-N -1 3 345.370 3.492 20 10 EGCDHM O=C1[C@H](NCc2cccc(Cl)c2[O-])CCCN1C1CCCCC1 ZINC000276774929 456576958 /nfs/dbraw/zinc/57/69/58/456576958.db2.gz OVERAFAEYMDDSM-MRXNPFEDSA-N -1 3 336.863 3.459 20 10 EGCDHM C[C@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(F)c(F)c1[O-] ZINC000276901137 456614912 /nfs/dbraw/zinc/61/49/12/456614912.db2.gz JBOCAXPLTBJJKR-NSHDSACASA-N -1 3 346.377 3.413 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000363851288 457454250 /nfs/dbraw/zinc/45/42/50/457454250.db2.gz QLMVUULPDAJBAH-ZDUSSCGKSA-N -1 3 325.836 3.063 20 10 EGCDHM COc1c([O-])c(CN2CCOc3ccc(C)cc3C2)ccc1[N+](=O)[O-] ZINC000367723874 457976303 /nfs/dbraw/zinc/97/63/03/457976303.db2.gz UGKAAHASZRRZTB-UHFFFAOYSA-N -1 3 344.367 3.012 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC([C@H]3CCOC3)CC2)c1[O-] ZINC000374924285 547813982 /nfs/dbraw/zinc/81/39/82/547813982.db2.gz GNWIYUFLKRCPDU-LBPRGKRZSA-N -1 3 340.807 3.202 20 10 EGCDHM Fc1cccc(NCCCSc2nccs2)c1-c1nnn[n-]1 ZINC000737664751 574603304 /nfs/dbraw/zinc/60/33/04/574603304.db2.gz NSWZCLUGCAAEMP-UHFFFAOYSA-N -1 3 336.421 3.057 20 10 EGCDHM Fc1cccc(NCCCSc2nccs2)c1-c1nn[n-]n1 ZINC000737664751 574603305 /nfs/dbraw/zinc/60/33/05/574603305.db2.gz NSWZCLUGCAAEMP-UHFFFAOYSA-N -1 3 336.421 3.057 20 10 EGCDHM O=C(NCCc1ccc(N2CCCCC2)cc1)c1cc([O-])cs1 ZINC000732270675 575251478 /nfs/dbraw/zinc/25/14/78/575251478.db2.gz SNNGHZLSNHWWLO-UHFFFAOYSA-N -1 3 330.453 3.417 20 10 EGCDHM O=C(CNC(=O)c1cc([O-])cs1)Nc1cc(Cl)ccc1Cl ZINC000732277199 575253133 /nfs/dbraw/zinc/25/31/33/575253133.db2.gz FOLMJMDRFOXUEM-UHFFFAOYSA-N -1 3 345.207 3.129 20 10 EGCDHM O=C(NCc1ccc(Br)cc1F)c1cc([O-])cs1 ZINC000732300218 575253594 /nfs/dbraw/zinc/25/35/94/575253594.db2.gz FGGGWUKMHPQUBJ-UHFFFAOYSA-N -1 3 330.178 3.285 20 10 EGCDHM CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cc([O-])cs1 ZINC000732284319 575255082 /nfs/dbraw/zinc/25/50/82/575255082.db2.gz PFGQTIMUDCXXEE-UHFFFAOYSA-N -1 3 345.376 3.307 20 10 EGCDHM COC(=O)c1oc2ccccc2c1COC(=O)c1cc([O-])cs1 ZINC000732354994 575261983 /nfs/dbraw/zinc/26/19/83/575261983.db2.gz ZAXWDNAALLPUAQ-UHFFFAOYSA-N -1 3 332.333 3.344 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1c[nH]cc1C ZINC000743808613 576816194 /nfs/dbraw/zinc/81/61/94/576816194.db2.gz ZRUVSTZDRWRBAG-UHFFFAOYSA-N -1 3 337.217 3.454 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)C[C@H]2COc3ccccc3O2)c1[O-] ZINC000079385444 1292556840 /nfs/dbraw/zinc/55/68/40/1292556840.db2.gz UXZHJZAAONKMEL-HNNXBMFYSA-N -1 3 345.370 3.006 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c([O-])c1O ZINC000179427416 1294793839 /nfs/dbraw/zinc/79/38/39/1294793839.db2.gz QCYFOGYUYLIZJO-UHFFFAOYSA-N -1 3 348.786 3.014 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(F)cc2OCC(F)F)c([O-])c1O ZINC000182983128 1295090375 /nfs/dbraw/zinc/09/03/75/1295090375.db2.gz FQKAXNZFHQYBKW-UHFFFAOYSA-N -1 3 341.285 3.442 20 10 EGCDHM CC1(C)CN(Cc2cc(Br)cc(F)c2[O-])CCCO1 ZINC000715737410 1298286301 /nfs/dbraw/zinc/28/63/01/1298286301.db2.gz IVPULJYAYDWPFO-UHFFFAOYSA-N -1 3 332.213 3.295 20 10 EGCDHM Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2)n1 ZINC000751533077 1299563782 /nfs/dbraw/zinc/56/37/82/1299563782.db2.gz KIVBVYFLGHBJKA-UHFFFAOYSA-N -1 3 337.379 3.461 20 10 EGCDHM Cc1cccc2c1N[C@@H](c1c([O-])cccc1Br)NC2=O ZINC000877846164 1299608212 /nfs/dbraw/zinc/60/82/12/1299608212.db2.gz RVTJFQLRDCDZAN-CQSZACIVSA-N -1 3 333.185 3.317 20 10 EGCDHM Cc1ccc2c(c1)C(=O)N[C@H](c1ccc(Br)cc1[O-])N2 ZINC000877862976 1299614714 /nfs/dbraw/zinc/61/47/14/1299614714.db2.gz PXYSAUDKKKIWLL-CQSZACIVSA-N -1 3 333.185 3.317 20 10 EGCDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756535984 1300516493 /nfs/dbraw/zinc/51/64/93/1300516493.db2.gz SZEFBCKCOJCLIT-VIFPVBQESA-N -1 3 338.310 3.438 20 10 EGCDHM Cc1cc(CN[C@H](C)c2cc(Br)cc(F)c2[O-])ncn1 ZINC000756775021 1300563994 /nfs/dbraw/zinc/56/39/94/1300563994.db2.gz GLIZXGXKQVMYKX-SECBINFHSA-N -1 3 340.196 3.243 20 10 EGCDHM Cc1ccccc1[C@H]1C(=O)NCCN1Cc1cc(Cl)ccc1[O-] ZINC000761225934 1301424429 /nfs/dbraw/zinc/42/44/29/1301424429.db2.gz NHOLZQNVNYKQOG-KRWDZBQOSA-N -1 3 330.815 3.027 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(CC(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC000766270571 1302419101 /nfs/dbraw/zinc/41/91/01/1302419101.db2.gz RMUQVPJBCWNESW-UHFFFAOYSA-N -1 3 339.407 3.286 20 10 EGCDHM Cc1nc(N2CCOCC2)ccc1N[C@@H](C)c1c([O-])cccc1F ZINC000886586102 1303513562 /nfs/dbraw/zinc/51/35/62/1303513562.db2.gz KWNNNZOEIRNDKJ-ZDUSSCGKSA-N -1 3 331.391 3.244 20 10 EGCDHM CNC(=O)COc1ccc(N[C@H](C)c2c([O-])cccc2F)c(C)c1 ZINC000886605386 1303519962 /nfs/dbraw/zinc/51/99/62/1303519962.db2.gz PNLHVMNCEWAHFM-GFCCVEGCSA-N -1 3 332.375 3.138 20 10 EGCDHM COc1c([O-])c(CNCc2ccc([C@@H]3C[C@@H]3C)o2)ccc1[N+](=O)[O-] ZINC000774974975 1303884718 /nfs/dbraw/zinc/88/47/18/1303884718.db2.gz GPTQVDHYDYELKS-GXFFZTMASA-N -1 3 332.356 3.315 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000775139639 1303915524 /nfs/dbraw/zinc/91/55/24/1303915524.db2.gz WMMZKHDHFAKAHQ-ISVAXAHUSA-N -1 3 341.732 3.320 20 10 EGCDHM CC[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524623 1303979889 /nfs/dbraw/zinc/97/98/89/1303979889.db2.gz UDPXOOJLZACGJD-STQMWFEESA-N -1 3 344.242 3.207 20 10 EGCDHM Cc1noc([C@@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000775654087 1304005357 /nfs/dbraw/zinc/00/53/57/1304005357.db2.gz FGLCZVUMEWSSPF-SNVBAGLBSA-N -1 3 325.771 3.256 20 10 EGCDHM CC1(C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)OCCO1 ZINC000775694127 1304017073 /nfs/dbraw/zinc/01/70/73/1304017073.db2.gz GOYGHVZQGVCEAF-UHFFFAOYSA-N -1 3 329.799 3.160 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000779003210 1304517274 /nfs/dbraw/zinc/51/72/74/1304517274.db2.gz SQTLCLBLQRTZGG-CQSZACIVSA-N -1 3 338.423 3.411 20 10 EGCDHM CC[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@@H]1O ZINC000894096715 1306217560 /nfs/dbraw/zinc/21/75/60/1306217560.db2.gz YSFSNGCQTJBGQM-PELKAZGASA-N -1 3 334.641 3.011 20 10 EGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000790705524 1308854816 /nfs/dbraw/zinc/85/48/16/1308854816.db2.gz YBNJIJYGERRUNV-QMMMGPOBSA-N -1 3 331.759 3.119 20 10 EGCDHM O=C(NCC1(c2ccc(F)cc2Cl)CC1)c1cccc(O)c1[O-] ZINC000790912410 1308885936 /nfs/dbraw/zinc/88/59/36/1308885936.db2.gz SVVDDUDVBYIDHV-UHFFFAOYSA-N -1 3 335.762 3.352 20 10 EGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000894689814 1309022945 /nfs/dbraw/zinc/02/29/45/1309022945.db2.gz JOSAOHYGKTWUJB-ZIAGYGMSSA-N -1 3 344.224 3.437 20 10 EGCDHM CCOc1cccc(CN(CCO)Cc2cc(F)cc(F)c2[O-])c1 ZINC000894947879 1309133080 /nfs/dbraw/zinc/13/30/80/1309133080.db2.gz OEUCDBPXPUWRDA-UHFFFAOYSA-N -1 3 337.366 3.064 20 10 EGCDHM CSc1cc(O)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000792703358 1309211887 /nfs/dbraw/zinc/21/18/87/1309211887.db2.gz WIYSSCBIVDEDDR-UHFFFAOYSA-N -1 3 349.433 3.289 20 10 EGCDHM Cc1noc(C[C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000897577247 1310389985 /nfs/dbraw/zinc/38/99/85/1310389985.db2.gz QCLAARXGWKCTKO-NSHDSACASA-N -1 3 339.798 3.331 20 10 EGCDHM CN(CC(=O)N(C)C1CCCCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816486129 1319165177 /nfs/dbraw/zinc/16/51/77/1319165177.db2.gz PMYKCSXYBCCUQT-UHFFFAOYSA-N -1 3 342.842 3.408 20 10 EGCDHM Cc1noc(C2(C)CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)n1 ZINC000816566254 1319183824 /nfs/dbraw/zinc/18/38/24/1319183824.db2.gz QAIFPQPXHWRUCF-UHFFFAOYSA-N -1 3 339.798 3.430 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCc2c(nnn2-c2ccccc2)C1 ZINC000816617949 1319195683 /nfs/dbraw/zinc/19/56/83/1319195683.db2.gz MAMRXYRCYOCOAW-UHFFFAOYSA-N -1 3 340.814 3.185 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCc2ccccc2[C@H]1CO ZINC000824819296 1320288735 /nfs/dbraw/zinc/28/87/35/1320288735.db2.gz NETDNFSEZYZOQD-MRXNPFEDSA-N -1 3 348.240 3.246 20 10 EGCDHM Cc1noc([C@@H]2CCCN2Cc2ccc(Br)cc2[O-])n1 ZINC000825899463 1320369172 /nfs/dbraw/zinc/36/91/72/1320369172.db2.gz CHHFHJJWXLAQTO-LBPRGKRZSA-N -1 3 338.205 3.183 20 10 EGCDHM O=C1CCCN1C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000827633704 1320463750 /nfs/dbraw/zinc/46/37/50/1320463750.db2.gz CCXWZPSMHDCYJL-NSHDSACASA-N -1 3 343.254 3.143 20 10 EGCDHM O=c1cc(C=Cc2ccc(N3CCOCC3)c(F)c2)nc(C2CC2)[n-]1 ZINC000840718645 1321133453 /nfs/dbraw/zinc/13/34/53/1321133453.db2.gz DEGATCMUXKREDP-ORCRQEGFSA-N -1 3 341.386 3.206 20 10 EGCDHM C[C@@H](N[C@@H](CCO)c1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842922078 1321449462 /nfs/dbraw/zinc/44/94/62/1321449462.db2.gz ABYBFXGMROVNAM-BZNIZROVSA-N -1 3 334.347 3.214 20 10 EGCDHM COc1cccc2c1N(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CCC2 ZINC000862430593 1329485928 /nfs/dbraw/zinc/48/59/28/1329485928.db2.gz BLNJJKRGTCUUKX-UHFFFAOYSA-N -1 3 344.367 3.270 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCc2c(O)cccc2C1 ZINC000862529047 1329492685 /nfs/dbraw/zinc/49/26/85/1329492685.db2.gz HLTNXLDLINEIPZ-UHFFFAOYSA-N -1 3 334.213 3.419 20 10 EGCDHM Cc1cc([O-])c(CN2CCNC(=O)[C@@H]2c2ccccc2C)cc1Cl ZINC000863949298 1329591134 /nfs/dbraw/zinc/59/11/34/1329591134.db2.gz CYIGOOUNDFFEQK-SFHVURJKSA-N -1 3 344.842 3.336 20 10 EGCDHM C[C@@]1(O)CCCCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233027421 1376556894 /nfs/dbraw/zinc/55/68/94/1376556894.db2.gz RIRUDQSJEZZYLZ-CQSZACIVSA-N -1 3 332.213 3.031 20 10 EGCDHM CC1(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])CCOCC1 ZINC001183844304 1387357786 /nfs/dbraw/zinc/35/77/86/1387357786.db2.gz IMVUPZHZMMOXBC-UHFFFAOYSA-N -1 3 348.830 3.417 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCO[C@H](c2ccncc2)C1 ZINC001203650193 1370200116 /nfs/dbraw/zinc/20/01/16/1370200116.db2.gz MPEFZZOQVOPENX-INIZCTEOSA-N -1 3 349.228 3.123 20 10 EGCDHM CCOCc1cnc2n1CCN(Cc1cc(Cl)ccc1[O-])[C@H]2C ZINC001203656160 1370204378 /nfs/dbraw/zinc/20/43/78/1370204378.db2.gz KEDDKGUFSFQQJA-LBPRGKRZSA-N -1 3 335.835 3.355 20 10 EGCDHM Cc1cnc(-c2noc(-c3cccc(O)c3[O-])n2)c(Br)c1 ZINC001215145900 1373177920 /nfs/dbraw/zinc/17/79/20/1373177920.db2.gz QDUZMTGWZINTJZ-UHFFFAOYSA-N -1 3 348.156 3.281 20 10 EGCDHM [O-]c1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)c(Cl)c1O ZINC001216952407 1373369879 /nfs/dbraw/zinc/36/98/79/1373369879.db2.gz YWLMGVQNVSEDRE-UHFFFAOYSA-N -1 3 332.699 3.197 20 10 EGCDHM Cc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])ccn1 ZINC001188791173 1388378321 /nfs/dbraw/zinc/37/83/21/1388378321.db2.gz YWXVBFOGDFSUBP-UHFFFAOYSA-N -1 3 327.771 3.227 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(C(=O)CC(C)(C)C)CC2)cc1Cl ZINC001231870289 1376332277 /nfs/dbraw/zinc/33/22/77/1376332277.db2.gz SBRXEWRVXUTNNQ-UHFFFAOYSA-N -1 3 338.879 3.434 20 10 EGCDHM Cc1cc(OC2CCN(Cc3cccc(Cl)c3[O-])CC2)ncn1 ZINC001231913601 1376349455 /nfs/dbraw/zinc/34/94/55/1376349455.db2.gz OVGFQJHFFWBHDM-UHFFFAOYSA-N -1 3 333.819 3.187 20 10 EGCDHM CC(C)(C)OC(=O)C[C@@H]1CCCN1Cc1ccc(F)c(F)c1[O-] ZINC001233078616 1376564264 /nfs/dbraw/zinc/56/42/64/1376564264.db2.gz AUQZAGFQDNKBRL-LBPRGKRZSA-N -1 3 327.371 3.367 20 10 EGCDHM CC(C)OCc1ncn2c1CN(Cc1c([O-])cccc1F)CCC2 ZINC001137835879 1377625659 /nfs/dbraw/zinc/62/56/59/1377625659.db2.gz QPIKZNHUQVJYSB-UHFFFAOYSA-N -1 3 333.407 3.059 20 10 EGCDHM O=C(C1CCCCC1)N1CCCN(Cc2c([O-])cccc2F)CC1 ZINC001137839979 1377628368 /nfs/dbraw/zinc/62/83/68/1377628368.db2.gz OMTZAOPOOZBQNF-UHFFFAOYSA-N -1 3 334.435 3.146 20 10 EGCDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H]1F ZINC001140461235 1378066067 /nfs/dbraw/zinc/06/60/67/1378066067.db2.gz HRZMBQJQQJTNHP-STQMWFEESA-N -1 3 344.814 3.093 20 10 EGCDHM CCOC(=O)C1(C(C)C)CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140585385 1378090434 /nfs/dbraw/zinc/09/04/34/1378090434.db2.gz HSPNVTLDDWLOIC-UHFFFAOYSA-N -1 3 341.398 3.472 20 10 EGCDHM COC(=O)[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])[C@H]1c1ccccc1 ZINC001142512724 1378451002 /nfs/dbraw/zinc/45/10/02/1378451002.db2.gz JGTGWYLXTNRUBG-KDOFPFPSSA-N -1 3 347.361 3.407 20 10 EGCDHM Cc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001147167760 1378981505 /nfs/dbraw/zinc/98/15/05/1378981505.db2.gz AUFSQCCQNCZRHW-UHFFFAOYSA-N -1 3 327.771 3.227 20 10 EGCDHM N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1cccc(O)c1[O-] ZINC001148212905 1379134526 /nfs/dbraw/zinc/13/45/26/1379134526.db2.gz NNHCAMIWJLVRNR-ZKOWVJSDSA-N -1 3 349.350 3.065 20 10 EGCDHM COc1cccc([C@H]2CSCCN2C(=O)c2cccc(O)c2[O-])c1 ZINC001148218640 1379134642 /nfs/dbraw/zinc/13/46/42/1379134642.db2.gz JHBBDWAEWYRNFB-OAHLLOKOSA-N -1 3 345.420 3.037 20 10 EGCDHM O=C(Nc1cccc(OC(F)(F)F)c1F)c1cc(O)c([O-])c(O)c1 ZINC001148586052 1379217152 /nfs/dbraw/zinc/21/71/52/1379217152.db2.gz GNHLVINCVNMLMX-UHFFFAOYSA-N -1 3 347.220 3.093 20 10 EGCDHM Cc1nc2ccccc2c(C(=O)N2CCc3cccc(O)c3C2)c1[O-] ZINC001149194804 1379344083 /nfs/dbraw/zinc/34/40/83/1379344083.db2.gz BMSDXOIQEVWYIF-UHFFFAOYSA-N -1 3 334.375 3.153 20 10 EGCDHM [O-]c1c(CNc2cccc3n[nH]nc32)cc(Cl)c2cccnc12 ZINC001168523215 1383929553 /nfs/dbraw/zinc/92/95/53/1383929553.db2.gz LVXBMVNPAUTEOD-UHFFFAOYSA-N -1 3 325.759 3.477 20 10 EGCDHM [O-]c1c(CNc2cc(Cl)cc[n+]2[O-])cc(Cl)c2cccnc12 ZINC001168527409 1383930088 /nfs/dbraw/zinc/93/00/88/1383930088.db2.gz HANSUMUCRSDIJM-UHFFFAOYSA-N -1 3 336.178 3.493 20 10 EGCDHM CCC(CC)(C[NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)[O-] ZINC000818629964 955420589 /nfs/dbraw/zinc/42/05/89/955420589.db2.gz JPHUYIMUIUQQBD-UHFFFAOYSA-N -1 3 344.249 3.444 20 10 EGCDHM COc1ccc(O)c([C@H](C)NCc2ccccc2O[C@H](C)C(=O)[O-])c1 ZINC001599598173 993777202 /nfs/dbraw/zinc/77/72/02/993777202.db2.gz HBHJMNNROIYGIA-QWHCGFSZSA-N -1 3 345.395 3.104 20 10 EGCDHM C[C@H]([NH2+]C[C@H](C)N(C)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240322 994428018 /nfs/dbraw/zinc/42/80/18/994428018.db2.gz MYPOCTVDHZKJDE-KBPBESRZSA-N -1 3 328.412 3.266 20 10 EGCDHM [O-]c1ccc2ccncc2c1CN1CCN(Cc2ccsc2)CC1 ZINC000021998144 212268892 /nfs/dbraw/zinc/26/88/92/212268892.db2.gz YHDDRYZFEQIHKK-UHFFFAOYSA-N -1 3 339.464 3.320 20 10 EGCDHM NC(=O)c1cccc(CN(Cc2ccco2)Cc2ccccc2[O-])c1 ZINC000095394535 218326615 /nfs/dbraw/zinc/32/66/15/218326615.db2.gz VYBRFNFCLSLTGC-UHFFFAOYSA-N -1 3 336.391 3.287 20 10 EGCDHM CCc1nc(CN(CC)Cc2cc(Br)ccc2[O-])no1 ZINC000174423970 455390129 /nfs/dbraw/zinc/39/01/29/455390129.db2.gz XLVJBLPTSAZACE-UHFFFAOYSA-N -1 3 340.221 3.122 20 10 EGCDHM CC(C)Cc1noc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000069595232 454122535 /nfs/dbraw/zinc/12/25/35/454122535.db2.gz CFVLUBUHWOJVGY-MRXNPFEDSA-N -1 3 345.443 3.155 20 10 EGCDHM COCc1ccc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)o1 ZINC000160169921 455434190 /nfs/dbraw/zinc/43/41/90/455434190.db2.gz VQEAAINHYHYKKP-MRXNPFEDSA-N -1 3 331.412 3.313 20 10 EGCDHM CCN(Cc1ccccc1)C(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000121143677 454397052 /nfs/dbraw/zinc/39/70/52/454397052.db2.gz PTMNKJLFALRBEP-MRXNPFEDSA-N -1 3 326.440 3.261 20 10 EGCDHM O=C(NCc1ccc([O-])c(F)c1)NCc1c(O)ccc2c1CCCC2 ZINC000074375079 454572232 /nfs/dbraw/zinc/57/22/32/454572232.db2.gz AJPIVLSAIDBINC-UHFFFAOYSA-N -1 3 344.386 3.115 20 10 EGCDHM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000109769636 454836031 /nfs/dbraw/zinc/83/60/31/454836031.db2.gz NWVJVQJHWIHZLD-LSDHHAIUSA-N -1 3 342.439 3.099 20 10 EGCDHM CCOc1ccc2c(c1)[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])CCO2 ZINC000178412697 454953810 /nfs/dbraw/zinc/95/38/10/454953810.db2.gz DIJCVAIGNMDOFK-MRXNPFEDSA-N -1 3 344.367 3.313 20 10 EGCDHM O=C(c1ccccc1)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179725434 455071005 /nfs/dbraw/zinc/07/10/05/455071005.db2.gz NOEWOWIJFKZQQB-UHFFFAOYSA-N -1 3 344.842 3.394 20 10 EGCDHM CC(C)n1ccc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000172014968 455108856 /nfs/dbraw/zinc/10/88/56/455108856.db2.gz VVIFFZFJFCAZEQ-GOSISDBHSA-N -1 3 329.444 3.351 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c([O-])c1O ZINC000182569846 455543697 /nfs/dbraw/zinc/54/36/97/455543697.db2.gz SCDLULHDURVOLW-OCCSQVGLSA-N -1 3 347.436 3.196 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccn(C)c1 ZINC000268831864 455715383 /nfs/dbraw/zinc/71/53/83/455715383.db2.gz LNAIUBPPQURJNP-UHFFFAOYSA-N -1 3 337.217 3.156 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000193146603 455743954 /nfs/dbraw/zinc/74/39/54/455743954.db2.gz IKNKIVCADMDBJA-NSHDSACASA-N -1 3 333.771 3.045 20 10 EGCDHM COc1ccccc1[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000193140054 455744994 /nfs/dbraw/zinc/74/49/94/455744994.db2.gz USKZTGKCSHJJKY-QGZVFWFLSA-N -1 3 339.347 3.219 20 10 EGCDHM Cc1nc(N2CCOCC2)ccc1N[C@H](C)c1cc(F)ccc1[O-] ZINC000186489708 455780199 /nfs/dbraw/zinc/78/01/99/455780199.db2.gz GUVNDZGEGJVGBD-GFCCVEGCSA-N -1 3 331.391 3.244 20 10 EGCDHM CCSc1cc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])ccn1 ZINC000278300072 455810566 /nfs/dbraw/zinc/81/05/66/455810566.db2.gz DJDACCYTAWJSMG-UHFFFAOYSA-N -1 3 349.412 3.106 20 10 EGCDHM COc1c([O-])c(CNc2cccnc2OC(C)C)ccc1[N+](=O)[O-] ZINC000278537421 455838991 /nfs/dbraw/zinc/83/89/91/455838991.db2.gz WLRIKKYVYMVUSM-UHFFFAOYSA-N -1 3 333.344 3.103 20 10 EGCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000280436316 455971035 /nfs/dbraw/zinc/97/10/35/455971035.db2.gz JZWJXGMMSAOBOF-PBHICJAKSA-N -1 3 345.370 3.229 20 10 EGCDHM C[C@@H](NCc1ccncc1OC[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000287504420 456070875 /nfs/dbraw/zinc/07/08/75/456070875.db2.gz YSFFVWQMSVRYNE-KGLIPLIRSA-N -1 3 346.402 3.192 20 10 EGCDHM C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271173933 456154121 /nfs/dbraw/zinc/15/41/21/456154121.db2.gz FLCVMAYYDRJQDG-HUYGQZFBSA-N -1 3 329.465 3.401 20 10 EGCDHM COCCN(Cc1ccccn1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000289934283 456187086 /nfs/dbraw/zinc/18/70/86/456187086.db2.gz WPXSSJJCAAADGO-UHFFFAOYSA-N -1 3 336.819 3.098 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccc(OC)c2OC)c1 ZINC000273386912 456227279 /nfs/dbraw/zinc/22/72/79/456227279.db2.gz JRBPMAYUFABNJF-LBPRGKRZSA-N -1 3 345.395 3.047 20 10 EGCDHM COCCOc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273405894 456228076 /nfs/dbraw/zinc/22/80/76/456228076.db2.gz OKBYRSYIUFVACU-CYBMUJFWSA-N -1 3 346.383 3.176 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(C)cc2OC)c1 ZINC000273585208 456239204 /nfs/dbraw/zinc/23/92/04/456239204.db2.gz NQINPSDQRQGTGS-CYBMUJFWSA-N -1 3 329.396 3.347 20 10 EGCDHM O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1cccc(O)c1[O-] ZINC000275166829 456271316 /nfs/dbraw/zinc/27/13/16/456271316.db2.gz VRAKLWKIKRLYRR-WBVHZDCISA-N -1 3 343.379 3.032 20 10 EGCDHM CC[C@@H](N[C@@H]1CCc2cccc([O-])c21)c1nnc2n1CCCCC2 ZINC000297928758 456326921 /nfs/dbraw/zinc/32/69/21/456326921.db2.gz XLNBIISSYKPCDT-HUUCEWRRSA-N -1 3 326.444 3.438 20 10 EGCDHM CC(C)OCc1nc([C@H](C)NCc2c([O-])cccc2Cl)no1 ZINC000290870864 456452463 /nfs/dbraw/zinc/45/24/63/456452463.db2.gz KFPHVDQBJZBQEE-JTQLQIEISA-N -1 3 325.796 3.204 20 10 EGCDHM CC[C@@H](N[C@H](C)c1ncnn1C)c1cc(Br)ccc1[O-] ZINC000276718477 456559677 /nfs/dbraw/zinc/55/96/77/456559677.db2.gz XJVLDRFZVCBKHO-BXKDBHETSA-N -1 3 339.237 3.085 20 10 EGCDHM C[C@H]1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CCS1(=O)=O ZINC000277331389 456781874 /nfs/dbraw/zinc/78/18/74/456781874.db2.gz CRKBLGHEQVHTDC-HNNXBMFYSA-N -1 3 345.464 3.068 20 10 EGCDHM Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)c([O-])c1O ZINC000368056745 458007985 /nfs/dbraw/zinc/00/79/85/458007985.db2.gz HWACZZPAEVSEAN-KRWDZBQOSA-N -1 3 341.407 3.304 20 10 EGCDHM COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2cccc(O)c2[O-])c1 ZINC000369139360 458098254 /nfs/dbraw/zinc/09/82/54/458098254.db2.gz JDNNBARMMVUZJV-LRDDRELGSA-N -1 3 327.380 3.330 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000375960272 458140718 /nfs/dbraw/zinc/14/07/18/458140718.db2.gz JETVMMKCDIYOSA-AWEZNQCLSA-N -1 3 337.847 3.497 20 10 EGCDHM COCCC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000528574750 459810191 /nfs/dbraw/zinc/81/01/91/459810191.db2.gz SXGZJJBWVPMEQD-UHFFFAOYSA-N -1 3 325.836 3.497 20 10 EGCDHM CCCN1C(=O)c2ccccc2N[C@H]1c1cc(C(=O)OC)ccc1[O-] ZINC000726796971 574571984 /nfs/dbraw/zinc/57/19/84/574571984.db2.gz MGGZCPGZBKQOGG-QGZVFWFLSA-N -1 3 340.379 3.155 20 10 EGCDHM COC(=O)c1ccc2c(c1)CN(Cc1c([O-])ccc3ccncc31)C2 ZINC000730255414 574962683 /nfs/dbraw/zinc/96/26/83/574962683.db2.gz UTZNUDLSUJIPSQ-UHFFFAOYSA-N -1 3 334.375 3.243 20 10 EGCDHM C[C@@H]1CN(c2ccc(NC(=O)c3cc([O-])cs3)cc2)C[C@@H](C)O1 ZINC000731872440 575214394 /nfs/dbraw/zinc/21/43/94/575214394.db2.gz KIBDSYBTLUYCAW-VXGBXAGGSA-N -1 3 332.425 3.320 20 10 EGCDHM O=C(NCc1ccnc(N2CCCCCC2)c1)c1cc([O-])cs1 ZINC000732290140 575255836 /nfs/dbraw/zinc/25/58/36/575255836.db2.gz QHVSVOGOVXVMJH-UHFFFAOYSA-N -1 3 331.441 3.159 20 10 EGCDHM O=C(O[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cc([O-])cs1 ZINC000732352986 575261322 /nfs/dbraw/zinc/26/13/22/575261322.db2.gz JPDAWXAVZAPWJW-GFCCVEGCSA-N -1 3 337.784 3.069 20 10 EGCDHM CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354135 575261759 /nfs/dbraw/zinc/26/17/59/575261759.db2.gz FCXKIAAYNWMGHY-SNVBAGLBSA-N -1 3 335.381 3.036 20 10 EGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1cc(Cl)ccc1F ZINC000732353978 575261761 /nfs/dbraw/zinc/26/17/61/575261761.db2.gz MNDZOEWKABRBOX-SSDOTTSWSA-N -1 3 343.763 3.430 20 10 EGCDHM Cc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)oc1C(=O)[O-] ZINC000738382625 576320046 /nfs/dbraw/zinc/32/00/46/576320046.db2.gz LEPMVFHTTKRYPQ-OAHLLOKOSA-N -1 3 345.395 3.173 20 10 EGCDHM O=C(O[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cc([O-])cs1 ZINC000740243766 576569182 /nfs/dbraw/zinc/56/91/82/576569182.db2.gz BMAVSRBZXUUQEE-GFCCVEGCSA-N -1 3 337.784 3.069 20 10 EGCDHM COc1cccc(-c2noc([C@H](C)NC(=O)c3cc([O-])cs3)n2)c1 ZINC000743798197 576816054 /nfs/dbraw/zinc/81/60/54/576816054.db2.gz BADAYCQUEGHOAS-VIFPVBQESA-N -1 3 345.380 3.003 20 10 EGCDHM CN(C)c1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000821589180 599464458 /nfs/dbraw/zinc/46/44/58/599464458.db2.gz AMULHVZYKKKGDE-UHFFFAOYSA-N -1 3 328.807 3.198 20 10 EGCDHM CN(C)c1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000821589180 599464459 /nfs/dbraw/zinc/46/44/59/599464459.db2.gz AMULHVZYKKKGDE-UHFFFAOYSA-N -1 3 328.807 3.198 20 10 EGCDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000826276684 608279019 /nfs/dbraw/zinc/27/90/19/608279019.db2.gz RJZGZRLWDUNERD-UHFFFAOYSA-N -1 3 349.442 3.173 20 10 EGCDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000826276684 608279021 /nfs/dbraw/zinc/27/90/21/608279021.db2.gz RJZGZRLWDUNERD-UHFFFAOYSA-N -1 3 349.442 3.173 20 10 EGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000078005205 1292492270 /nfs/dbraw/zinc/49/22/70/1292492270.db2.gz HULXWPVGFOSRLA-UHFFFAOYSA-N -1 3 342.214 3.264 20 10 EGCDHM Cc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)c([O-])c1O ZINC000181952864 1295009689 /nfs/dbraw/zinc/00/96/89/1295009689.db2.gz NYBBBIAONUYFEC-UHFFFAOYSA-N -1 3 340.379 3.175 20 10 EGCDHM O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1cccc(O)c1[O-] ZINC000187190289 1295373989 /nfs/dbraw/zinc/37/39/89/1295373989.db2.gz QOACAFHSJQGSBB-UHFFFAOYSA-N -1 3 331.278 3.018 20 10 EGCDHM CC1CCN(c2ccc(CNC(=O)c3cccc4n[n-]nc43)cc2)CC1 ZINC000187822700 1295417438 /nfs/dbraw/zinc/41/74/38/1295417438.db2.gz OJWOBIAYXWUZPS-UHFFFAOYSA-N -1 3 349.438 3.124 20 10 EGCDHM C[C@@H](NCc1cc(F)ccc1[O-])c1nc(Cc2ccccc2)no1 ZINC000191593301 1295693674 /nfs/dbraw/zinc/69/36/74/1295693674.db2.gz GVUYTQLVHIKDQX-GFCCVEGCSA-N -1 3 327.359 3.356 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1Cc2ccc(Br)cc2C1 ZINC000707896177 1298230504 /nfs/dbraw/zinc/23/05/04/1298230504.db2.gz ZDRXMZZGVSZNCV-UHFFFAOYSA-N -1 3 334.169 3.016 20 10 EGCDHM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000751533178 1299563880 /nfs/dbraw/zinc/56/38/80/1299563880.db2.gz KXTFGZMEKGQAIT-UHFFFAOYSA-N -1 3 328.368 3.315 20 10 EGCDHM C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)c1cc(F)cc(F)c1[O-] ZINC000756741075 1300557861 /nfs/dbraw/zinc/55/78/61/1300557861.db2.gz BKJCQPPUOXIHNY-VIFPVBQESA-N -1 3 348.328 3.445 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc3c(c2)ncn3C)c1 ZINC000757610823 1300694439 /nfs/dbraw/zinc/69/44/39/1300694439.db2.gz IJXQBTOKKUWYID-LLVKDONJSA-N -1 3 325.368 3.239 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc3c(c2)C[C@H](OC)C3)c1 ZINC000760882038 1301358914 /nfs/dbraw/zinc/35/89/14/1301358914.db2.gz IOCUJKJYNBPJOP-YVEFUNNKSA-N -1 3 341.407 3.466 20 10 EGCDHM [O-]c1c(F)cc(F)cc1CNc1ccc(CCN2CCOCC2)cc1 ZINC000882911180 1302161750 /nfs/dbraw/zinc/16/17/50/1302161750.db2.gz MRECHVFKMLSAPK-UHFFFAOYSA-N -1 3 348.393 3.157 20 10 EGCDHM CCC[C@H]1C(=O)NCCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000765707309 1302311636 /nfs/dbraw/zinc/31/16/36/1302311636.db2.gz YHDDUMYBOQAIPF-INIZCTEOSA-N -1 3 338.407 3.392 20 10 EGCDHM CC(C)(C)OC(=O)N1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768247333 1302864677 /nfs/dbraw/zinc/86/46/77/1302864677.db2.gz UDWFLUVFIRYPJR-UHFFFAOYSA-N -1 3 340.851 3.488 20 10 EGCDHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])c(OC)cc1Cl ZINC000770469395 1303273571 /nfs/dbraw/zinc/27/35/71/1303273571.db2.gz JGMFXDIUPJYSQL-UHFFFAOYSA-N -1 3 337.759 3.329 20 10 EGCDHM COc1cc(OC)c(OC)cc1CN[C@@H](C)c1c([O-])cccc1F ZINC000886491576 1303475315 /nfs/dbraw/zinc/47/53/15/1303475315.db2.gz INTNDTWZKVNKKD-NSHDSACASA-N -1 3 335.375 3.408 20 10 EGCDHM COc1ccc(CN[C@H](C)c2c([O-])cccc2F)c(OC)c1OC ZINC000886506343 1303480410 /nfs/dbraw/zinc/48/04/10/1303480410.db2.gz NFWKJJROQHPVOC-LLVKDONJSA-N -1 3 335.375 3.408 20 10 EGCDHM CCS(=O)(=O)c1ccc(CN[C@H](C)c2c([O-])cccc2F)cc1 ZINC000886580391 1303510843 /nfs/dbraw/zinc/51/08/43/1303510843.db2.gz HVJANGDMSKNIBU-GFCCVEGCSA-N -1 3 337.416 3.176 20 10 EGCDHM COc1c([O-])c(CN2C[C@@H](C)Oc3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC000775083339 1303904227 /nfs/dbraw/zinc/90/42/27/1303904227.db2.gz YFFYLLFATSUURW-GFCCVEGCSA-N -1 3 344.367 3.405 20 10 EGCDHM COCC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccco1 ZINC000779995772 1304629583 /nfs/dbraw/zinc/62/95/83/1304629583.db2.gz XAJQIFXJAZLKMR-LBPRGKRZSA-N -1 3 340.763 3.414 20 10 EGCDHM Cc1ccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)c([O-])c1O ZINC000780894486 1304748443 /nfs/dbraw/zinc/74/84/43/1304748443.db2.gz OXDVCHPCAOUIEC-UHFFFAOYSA-N -1 3 343.770 3.498 20 10 EGCDHM COc1cc(F)cc2sc(NC(=O)c3ccc(C)c(O)c3[O-])nc21 ZINC000780936308 1304753085 /nfs/dbraw/zinc/75/30/85/1304753085.db2.gz ZZRJFUYWEIAQHR-UHFFFAOYSA-N -1 3 348.355 3.416 20 10 EGCDHM C[C@@H](NCc1ncnn1-c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000786937783 1305663234 /nfs/dbraw/zinc/66/32/34/1305663234.db2.gz KAWCLCZOXOJCRM-LLVKDONJSA-N -1 3 330.338 3.102 20 10 EGCDHM Cc1ccc(C)n1-c1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1 ZINC000893214008 1305764779 /nfs/dbraw/zinc/76/47/79/1305764779.db2.gz IJMPLLOWBAZZAI-UHFFFAOYSA-N -1 3 348.406 3.183 20 10 EGCDHM COc1ccc(N(C)Cc2ccc([O-])c(OC)c2[N+](=O)[O-])cc1F ZINC000893466581 1305909273 /nfs/dbraw/zinc/90/92/73/1305909273.db2.gz ZHCXGKUSROHKGX-UHFFFAOYSA-N -1 3 336.319 3.093 20 10 EGCDHM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1cccc(O)c1[O-] ZINC000790878330 1308878888 /nfs/dbraw/zinc/87/88/88/1308878888.db2.gz RTTWFLYCLHHOSV-CQSZACIVSA-N -1 3 325.364 3.274 20 10 EGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(CCCO)CC1 ZINC000894436196 1308884332 /nfs/dbraw/zinc/88/43/32/1308884332.db2.gz FIEBXWXIQVJBTJ-UHFFFAOYSA-N -1 3 346.240 3.278 20 10 EGCDHM CC1(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)OCCO1 ZINC000792167857 1309134369 /nfs/dbraw/zinc/13/43/69/1309134369.db2.gz SLHNJJIFAWNBSJ-UHFFFAOYSA-N -1 3 329.799 3.160 20 10 EGCDHM Cc1ccc(C(=O)Nc2cccc(NC(=O)N(C)C)c2C)c([O-])c1O ZINC000792552183 1309184925 /nfs/dbraw/zinc/18/49/25/1309184925.db2.gz PTBVHYSUNAUVIW-UHFFFAOYSA-N -1 3 343.383 3.060 20 10 EGCDHM C[C@H](CO)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895135581 1309204272 /nfs/dbraw/zinc/20/42/72/1309204272.db2.gz CLCOHGRFQYNSHS-SNVBAGLBSA-N -1 3 346.240 3.134 20 10 EGCDHM O=C1NCCC2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)O1 ZINC000897019542 1310139684 /nfs/dbraw/zinc/13/96/84/1310139684.db2.gz UPLXVNALHAKLFI-UHFFFAOYSA-N -1 3 345.226 3.164 20 10 EGCDHM O=C(C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1)N1CCCC1 ZINC000816483375 1319163089 /nfs/dbraw/zinc/16/30/89/1319163089.db2.gz QFDHPBCRXRFHGD-UHFFFAOYSA-N -1 3 340.826 3.019 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1ncnn1-c1ccccc1 ZINC000816593509 1319190220 /nfs/dbraw/zinc/19/02/20/1319190220.db2.gz USMABDQGIQCFSB-UHFFFAOYSA-N -1 3 332.766 3.055 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000818933310 1319580851 /nfs/dbraw/zinc/58/08/51/1319580851.db2.gz NTGJFCQDWXRPJE-ZDUSSCGKSA-N -1 3 333.771 3.045 20 10 EGCDHM C/C=C/C[C@H](NCc1ccc(Br)cc1[O-])C(=O)OCC ZINC000825692284 1320355905 /nfs/dbraw/zinc/35/59/05/1320355905.db2.gz HHACPXMGMUNUKA-LQPUYASZSA-N -1 3 342.233 3.142 20 10 EGCDHM COC(=O)[C@@]1(C)CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000839666356 1320956495 /nfs/dbraw/zinc/95/64/95/1320956495.db2.gz LIXIFLRCKZJNBO-KRWDZBQOSA-N -1 3 339.819 3.023 20 10 EGCDHM CCOCc1cc(CNCc2ccccc2CC(=O)[O-])ccc1OC ZINC000841795169 1321313702 /nfs/dbraw/zinc/31/37/02/1321313702.db2.gz NBEJLEDOAJIIPS-UHFFFAOYSA-N -1 3 343.423 3.149 20 10 EGCDHM C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000846226374 1321778534 /nfs/dbraw/zinc/77/85/34/1321778534.db2.gz LQOXXCPECVKNOZ-LBPRGKRZSA-N -1 3 346.814 3.102 20 10 EGCDHM [O-]c1cccnc1CNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC001198073115 1368954343 /nfs/dbraw/zinc/95/43/43/1368954343.db2.gz DPWDQYPORXPDRO-UHFFFAOYSA-N -1 3 327.331 3.293 20 10 EGCDHM Cc1nc2c(s1)CN(Cc1cc(Br)ccc1[O-])CC2 ZINC001203642843 1370199076 /nfs/dbraw/zinc/19/90/76/1370199076.db2.gz OPZGYMJYOONPGA-UHFFFAOYSA-N -1 3 339.258 3.478 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@H]1c1cccnc1 ZINC001203650634 1370201600 /nfs/dbraw/zinc/20/16/00/1370201600.db2.gz ZCFSYEWIHWIVDL-HNNXBMFYSA-N -1 3 349.228 3.123 20 10 EGCDHM COC(=O)c1cccc2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001203664381 1370207263 /nfs/dbraw/zinc/20/72/63/1370207263.db2.gz CFMXSEILYPKBAR-UHFFFAOYSA-N -1 3 331.799 3.391 20 10 EGCDHM CN(Cc1ccncc1)Cc1cc(Br)cc(F)c1[O-] ZINC001205367035 1370732353 /nfs/dbraw/zinc/73/23/53/1370732353.db2.gz OVRHVSJPYWWGGY-UHFFFAOYSA-N -1 3 325.181 3.321 20 10 EGCDHM COc1ccnc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c1F ZINC001216954095 1373369903 /nfs/dbraw/zinc/36/99/03/1373369903.db2.gz OYQLAKGIFPKWDF-UHFFFAOYSA-N -1 3 337.694 3.011 20 10 EGCDHM O=C([O-])c1ccc(O)c(CN2CCC(C(=O)c3ccccc3)CC2)c1 ZINC001231559367 1376263493 /nfs/dbraw/zinc/26/34/93/1376263493.db2.gz BSYRJJIMVULUPD-UHFFFAOYSA-N -1 3 339.391 3.185 20 10 EGCDHM COc1cccc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)n1 ZINC001231870315 1376331219 /nfs/dbraw/zinc/33/12/19/1376331219.db2.gz TXFYOVKSEZKKQJ-UHFFFAOYSA-N -1 3 347.846 3.080 20 10 EGCDHM CC(C)(C)OC(=O)NCC1CN(Cc2cccc(Cl)c2[O-])C1 ZINC001231910311 1376345328 /nfs/dbraw/zinc/34/53/28/1376345328.db2.gz LCKSOYXCFBBXNV-UHFFFAOYSA-N -1 3 326.824 3.002 20 10 EGCDHM Cc1noc([C@H]2C[C@@H]3CCN(Cc4cccc(Cl)c4[O-])C[C@H]3O2)n1 ZINC001231909681 1376346698 /nfs/dbraw/zinc/34/66/98/1376346698.db2.gz FABLAEACORHEFY-NILFDRSVSA-N -1 3 349.818 3.089 20 10 EGCDHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1c([O-])ccc(F)c1F ZINC001233336574 1376620622 /nfs/dbraw/zinc/62/06/22/1376620622.db2.gz QOIHCOJMEVKCSW-MNOVXSKESA-N -1 3 342.386 3.158 20 10 EGCDHM [O-]c1c(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)cccc1C(F)(F)F ZINC001233416064 1376640875 /nfs/dbraw/zinc/64/08/75/1376640875.db2.gz VHLZIUOCKWPDEK-KOLCDFICSA-N -1 3 343.267 3.014 20 10 EGCDHM C[C@]1(CO)CC(F)(F)CN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452217 1376649127 /nfs/dbraw/zinc/64/91/27/1376649127.db2.gz ODMAADOBJGZQNE-GFCCVEGCSA-N -1 3 325.277 3.003 20 10 EGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCCN(c2cccnc2)CC1 ZINC001237803937 1376988057 /nfs/dbraw/zinc/98/80/57/1376988057.db2.gz WODXPHCKLOMQLH-UHFFFAOYSA-N -1 3 335.810 3.292 20 10 EGCDHM CN(Cc1cncc(Br)c1)Cc1c([O-])cccc1F ZINC001137834798 1377625803 /nfs/dbraw/zinc/62/58/03/1377625803.db2.gz SWZRLBOTHIUIQR-UHFFFAOYSA-N -1 3 325.181 3.321 20 10 EGCDHM C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1Cc1c([O-])cccc1F ZINC001137838892 1377627263 /nfs/dbraw/zinc/62/72/63/1377627263.db2.gz MDZOINGRBODWLE-QWHCGFSZSA-N -1 3 338.423 3.409 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])cccc2F)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001137841618 1377628991 /nfs/dbraw/zinc/62/89/91/1377628991.db2.gz MULABMFOTFVMMZ-STQMWFEESA-N -1 3 338.423 3.361 20 10 EGCDHM C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1cccc(F)c1[O-] ZINC001138122586 1377680016 /nfs/dbraw/zinc/68/00/16/1377680016.db2.gz OQCULRWDOARWTC-CQSZACIVSA-N -1 3 332.394 3.377 20 10 EGCDHM Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001139129661 1377835027 /nfs/dbraw/zinc/83/50/27/1377835027.db2.gz BWBOMBNENANCJL-UHFFFAOYSA-N -1 3 337.375 3.071 20 10 EGCDHM Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCc2cccc([O-])c2C1 ZINC001139129661 1377835030 /nfs/dbraw/zinc/83/50/30/1377835030.db2.gz BWBOMBNENANCJL-UHFFFAOYSA-N -1 3 337.375 3.071 20 10 EGCDHM COC(=O)[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])[C@H]1c1ccccc1 ZINC001139690169 1377935101 /nfs/dbraw/zinc/93/51/01/1377935101.db2.gz RLVRAOHMCZTTGY-GUYCJALGSA-N -1 3 347.361 3.407 20 10 EGCDHM CCOC(=O)[C@H]1CCCCN1Cc1c([O-])cccc1Br ZINC001140101246 1378007593 /nfs/dbraw/zinc/00/75/93/1378007593.db2.gz NCGIOOKSTHVTOS-CYBMUJFWSA-N -1 3 342.233 3.072 20 10 EGCDHM C[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])[C@H]1CO ZINC001141367458 1378312049 /nfs/dbraw/zinc/31/20/49/1378312049.db2.gz AYGVAJCBHGOXMP-RNCFNFMXSA-N -1 3 348.668 3.401 20 10 EGCDHM COC(=O)c1ccc(C2CN(Cc3cc(F)c(F)cc3[O-])C2)cc1 ZINC001142531115 1378454399 /nfs/dbraw/zinc/45/43/99/1378454399.db2.gz PTFUBWFRVLCEGT-UHFFFAOYSA-N -1 3 333.334 3.056 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H]2OCCC[C@H]2C1 ZINC001144299011 1378712381 /nfs/dbraw/zinc/71/23/81/1378712381.db2.gz ORPUPNOBWXHOOH-BONVTDFDSA-N -1 3 344.224 3.295 20 10 EGCDHM O=C(Nc1cc(-c2cccc(F)c2)ccn1)c1cc(O)c([O-])c(O)c1 ZINC001148580106 1379216002 /nfs/dbraw/zinc/21/60/02/1379216002.db2.gz FGWZTNHXSYELNS-UHFFFAOYSA-N -1 3 340.310 3.257 20 10 EGCDHM O=C(NC1c2ccccc2-c2ccccc21)c1cc(O)c([O-])c(O)c1 ZINC001148589700 1379218524 /nfs/dbraw/zinc/21/85/24/1379218524.db2.gz HTURXWBLGLPZNI-UHFFFAOYSA-N -1 3 333.343 3.303 20 10 EGCDHM O=C(NC1CCC(c2ccccc2)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148589948 1379218730 /nfs/dbraw/zinc/21/87/30/1379218730.db2.gz RRGCYOPWBQINCN-UHFFFAOYSA-N -1 3 327.380 3.260 20 10 EGCDHM CC(C)Cc1ccc([C@H](C)NC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148590139 1379218804 /nfs/dbraw/zinc/21/88/04/1379218804.db2.gz CESFADRZRUHBFX-LBPRGKRZSA-N -1 3 329.396 3.493 20 10 EGCDHM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1cc(O)c([O-])c(O)c1 ZINC001148590758 1379219227 /nfs/dbraw/zinc/21/92/27/1379219227.db2.gz ORYSVMLNTVBEPY-DECQCQTCSA-N -1 3 339.391 3.116 20 10 EGCDHM Cc1nc(Cl)nnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522675 1383929840 /nfs/dbraw/zinc/92/98/40/1383929840.db2.gz TXZPRIRRQDWVSP-UHFFFAOYSA-N -1 3 336.182 3.353 20 10 EGCDHM [O-]c1ccc2oc3c(c2c1CN1CCc2ncncc2C1)CCCC3 ZINC001333831029 1390418961 /nfs/dbraw/zinc/41/89/61/1390418961.db2.gz PYZXGJGJVCDYPU-UHFFFAOYSA-N -1 3 335.407 3.366 20 10 EGCDHM [O-]c1cccc(Br)c1CNCc1noc2c1CCCC2 ZINC001351341548 1391629577 /nfs/dbraw/zinc/62/95/77/1391629577.db2.gz OVTARXUDYBADOD-UHFFFAOYSA-N -1 3 337.217 3.311 20 10 EGCDHM CN(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000756378983 978699568 /nfs/dbraw/zinc/69/95/68/978699568.db2.gz JNDHTTWWNWIIDF-MRXNPFEDSA-N -1 3 336.794 3.461 20 10 EGCDHM C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])Oc1ccccc1F ZINC001592706036 979172886 /nfs/dbraw/zinc/17/28/86/979172886.db2.gz IODBNONOZJTRCN-NEPJUHHUSA-N -1 3 333.359 3.348 20 10 EGCDHM CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](C)c3cc(C(=O)[O-])ccc3[O-])C2)n1 ZINC001597748701 989135569 /nfs/dbraw/zinc/13/55/69/989135569.db2.gz PUZHYZDBIMWKCG-NQBHXWOUSA-N -1 3 345.399 3.023 20 10 EGCDHM COc1ccc(N2CCCN(Cc3cc(C)c(C(=O)[O-])o3)CC2)cc1 ZINC001599585644 993609970 /nfs/dbraw/zinc/60/99/70/993609970.db2.gz VDUDOUVUXQXKCA-UHFFFAOYSA-N -1 3 344.411 3.007 20 10 EGCDHM C[C@@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593250198 994484561 /nfs/dbraw/zinc/48/45/61/994484561.db2.gz SCYOVELIXBKXBS-ACJLOTCBSA-N -1 3 333.428 3.480 20 10 EGCDHM C[C@H]([NH2+]CCCN1CCc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593268048 994591072 /nfs/dbraw/zinc/59/10/72/994591072.db2.gz ROUIVGCWLKUWGE-AWEZNQCLSA-N -1 3 340.423 3.194 20 10 EGCDHM CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(F)ccc2[O-])s1 ZINC000280189320 455911658 /nfs/dbraw/zinc/91/16/58/455911658.db2.gz SERRVCMXXSLCSN-JTQLQIEISA-N -1 3 343.445 3.237 20 10 EGCDHM CC(C)c1noc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000264614827 455249395 /nfs/dbraw/zinc/24/93/95/455249395.db2.gz ORNRVXSCOFCFJM-HNNXBMFYSA-N -1 3 331.416 3.080 20 10 EGCDHM CCCOc1ccc(CNC2(c3noc(C)n3)CCCC2)c([O-])c1 ZINC000101596719 454476183 /nfs/dbraw/zinc/47/61/83/454476183.db2.gz ABORAERUWXSQAW-UHFFFAOYSA-N -1 3 331.416 3.432 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC1CCC1 ZINC000073747187 454477118 /nfs/dbraw/zinc/47/71/18/454477118.db2.gz MYEWAWCYMGGYGR-UHFFFAOYSA-N -1 3 341.249 3.486 20 10 EGCDHM COCCOC[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093754942 454731616 /nfs/dbraw/zinc/73/16/16/454731616.db2.gz FTFHQZOCHSWBOU-NSHDSACASA-N -1 3 334.243 3.184 20 10 EGCDHM COC[C@@H](NCc1cc(Br)ccc1[O-])c1ccco1 ZINC000177576841 454879663 /nfs/dbraw/zinc/87/96/63/454879663.db2.gz TWBOUWANHKEOSU-GFCCVEGCSA-N -1 3 326.190 3.225 20 10 EGCDHM C[C@H](NCc1cccnc1N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000184986125 455481770 /nfs/dbraw/zinc/48/17/70/455481770.db2.gz XOKNQKSEASABAQ-ZDUSSCGKSA-N -1 3 347.846 3.128 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)c([O-])c1O ZINC000177686817 454892605 /nfs/dbraw/zinc/89/26/05/454892605.db2.gz HTIGNWGPKVKTFD-KRWDZBQOSA-N -1 3 340.423 3.450 20 10 EGCDHM CCCOc1ccc(CN[C@@H](C(=O)OC)c2ccccc2)c([O-])c1 ZINC000154481724 454900734 /nfs/dbraw/zinc/90/07/34/454900734.db2.gz MKMFJSWYJABLJH-GOSISDBHSA-N -1 3 329.396 3.185 20 10 EGCDHM CCCOc1ccc(CN2CCSC[C@@H]2c2cnn(C)c2)c([O-])c1 ZINC000191747823 455516191 /nfs/dbraw/zinc/51/61/91/455516191.db2.gz NRMJNIAMRSFDTQ-QGZVFWFLSA-N -1 3 347.484 3.205 20 10 EGCDHM C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185183829 455517955 /nfs/dbraw/zinc/51/79/55/455517955.db2.gz BUROTOIIUZELCV-OLZOCXBDSA-N -1 3 332.831 3.401 20 10 EGCDHM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000185670461 455593199 /nfs/dbraw/zinc/59/31/99/455593199.db2.gz XZDFZTWAAFQNPB-XMMPIXPASA-N -1 3 347.436 3.397 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000268311389 455647921 /nfs/dbraw/zinc/64/79/21/455647921.db2.gz XQRSWBBWYFVSOQ-RDJZCZTQSA-N -1 3 347.386 3.415 20 10 EGCDHM COc1ccccc1[C@H](NC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000193140039 455744880 /nfs/dbraw/zinc/74/48/80/455744880.db2.gz USKZTGKCSHJJKY-KRWDZBQOSA-N -1 3 339.347 3.219 20 10 EGCDHM COc1c([O-])c(CNC(C)(C)c2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000278473347 455835857 /nfs/dbraw/zinc/83/58/57/455835857.db2.gz HUVUEVAEZCGDPL-UHFFFAOYSA-N -1 3 337.401 3.099 20 10 EGCDHM CCC(CC)c1cc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])on1 ZINC000278513793 455839114 /nfs/dbraw/zinc/83/91/14/455839114.db2.gz QGDLOVMWNIBSQJ-UHFFFAOYSA-N -1 3 349.387 3.490 20 10 EGCDHM CCOC(=O)[C@H](NCc1cc(Cl)cc(OC)c1[O-])c1ccccc1 ZINC000194738409 455878787 /nfs/dbraw/zinc/87/87/87/455878787.db2.gz WUVOKRKVBUMDLY-MRXNPFEDSA-N -1 3 349.814 3.448 20 10 EGCDHM COc1cc(CN(C)C(=O)c2ccc(C)c(O)c2[O-])ccc1SC ZINC000272817520 456077866 /nfs/dbraw/zinc/07/78/66/456077866.db2.gz OGISFLIQEKAPCM-UHFFFAOYSA-N -1 3 347.436 3.409 20 10 EGCDHM O=C(c1cccs1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271018698 456099149 /nfs/dbraw/zinc/09/91/49/456099149.db2.gz AIUUQJFWVGBLHY-UHFFFAOYSA-N -1 3 336.844 3.065 20 10 EGCDHM COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000281182813 456156701 /nfs/dbraw/zinc/15/67/01/456156701.db2.gz BUHSSPGZTLDFPD-GFCCVEGCSA-N -1 3 330.384 3.105 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000271211929 456174812 /nfs/dbraw/zinc/17/48/12/456174812.db2.gz VQMGIZHTEGDHCF-GFCCVEGCSA-N -1 3 340.851 3.392 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000290030406 456219953 /nfs/dbraw/zinc/21/99/53/456219953.db2.gz VVLIPEJFICXNDW-CQSZACIVSA-N -1 3 337.782 3.031 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(OC)cc2OC)c1 ZINC000273418169 456228016 /nfs/dbraw/zinc/22/80/16/456228016.db2.gz RKZGYYIEBBMWGB-LBPRGKRZSA-N -1 3 345.395 3.047 20 10 EGCDHM O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1cccc(O)c1[O-] ZINC000275166826 456271226 /nfs/dbraw/zinc/27/12/26/456271226.db2.gz VRAKLWKIKRLYRR-DOTOQJQBSA-N -1 3 343.379 3.032 20 10 EGCDHM Cc1noc(C2(C)CCN(Cc3c([O-])ccc(Cl)c3F)CC2)n1 ZINC000375450997 457936424 /nfs/dbraw/zinc/93/64/24/457936424.db2.gz JNJYGDRFZMECBZ-UHFFFAOYSA-N -1 3 339.798 3.430 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000375960277 458139954 /nfs/dbraw/zinc/13/99/54/458139954.db2.gz JETVMMKCDIYOSA-CQSZACIVSA-N -1 3 337.847 3.497 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000529905722 459874976 /nfs/dbraw/zinc/87/49/76/459874976.db2.gz JGLKVKOMQPBGQN-HXUWFJFHSA-N -1 3 339.391 3.098 20 10 EGCDHM CC[C@@H](N[C@H](C)c1nncn1C)c1cc(Br)ccc1[O-] ZINC000037017382 522940363 /nfs/dbraw/zinc/94/03/63/522940363.db2.gz IJTPXQGYCQUZBO-BXKDBHETSA-N -1 3 339.237 3.085 20 10 EGCDHM COc1ccc(N2CCC(NC(=O)c3cc(C)ccc3[O-])CC2)cc1 ZINC000726627409 574564211 /nfs/dbraw/zinc/56/42/11/574564211.db2.gz JTSUDUXGAAWGSV-UHFFFAOYSA-N -1 3 340.423 3.108 20 10 EGCDHM O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732282281 575254744 /nfs/dbraw/zinc/25/47/44/575254744.db2.gz KWTXEGFCMZEUFG-UHFFFAOYSA-N -1 3 348.399 3.084 20 10 EGCDHM CCc1ccc(-c2noc(COC(=O)c3cc([O-])cs3)n2)cc1 ZINC000732353782 575261605 /nfs/dbraw/zinc/26/16/05/575261605.db2.gz VHZUKSGNIZCSAA-UHFFFAOYSA-N -1 3 330.365 3.423 20 10 EGCDHM CCc1ccc([C@@H](C)NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)cc1 ZINC000732354060 575261626 /nfs/dbraw/zinc/26/16/26/575261626.db2.gz ZAZFZSUQKBVMBZ-VXGBXAGGSA-N -1 3 347.436 3.439 20 10 EGCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ccc(F)cc1Cl ZINC000732354288 575261772 /nfs/dbraw/zinc/26/17/72/575261772.db2.gz RENKCQBDDBTCLW-ZETCQYMHSA-N -1 3 343.763 3.430 20 10 EGCDHM Cc1cc(-c2nc(C3CC3)no2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737222309 576137684 /nfs/dbraw/zinc/13/76/84/576137684.db2.gz XBPIQBHTERZLQU-UHFFFAOYSA-N -1 3 347.382 3.202 20 10 EGCDHM Cc1cc(-c2nc(C3CC3)no2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737222309 576137686 /nfs/dbraw/zinc/13/76/86/576137686.db2.gz XBPIQBHTERZLQU-UHFFFAOYSA-N -1 3 347.382 3.202 20 10 EGCDHM COc1ccc(N(C)Cc2cc(F)ccc2-c2nnn[n-]2)cc1Cl ZINC000821828062 607087784 /nfs/dbraw/zinc/08/77/84/607087784.db2.gz OUPASCXNKMCOMC-UHFFFAOYSA-N -1 3 347.781 3.304 20 10 EGCDHM COc1ccc(N(C)Cc2cc(F)ccc2-c2nn[n-]n2)cc1Cl ZINC000821828062 607087786 /nfs/dbraw/zinc/08/77/86/607087786.db2.gz OUPASCXNKMCOMC-UHFFFAOYSA-N -1 3 347.781 3.304 20 10 EGCDHM COc1ccc2c(c1)CN(Cc1cc(F)cc(C(C)=O)c1[O-])CC2 ZINC000175597612 1294565953 /nfs/dbraw/zinc/56/59/53/1294565953.db2.gz RLVJFTHSLKLDMO-UHFFFAOYSA-N -1 3 329.371 3.301 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](Cc3ccccc3)C2)c1[O-] ZINC000181555683 1294977455 /nfs/dbraw/zinc/97/74/55/1294977455.db2.gz HABMHFJGOWRTBW-SFHVURJKSA-N -1 3 343.398 3.177 20 10 EGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(N2CCCC2)c1 ZINC000187180575 1295372293 /nfs/dbraw/zinc/37/22/93/1295372293.db2.gz GIHZWYPQFNYZOU-ZDUSSCGKSA-N -1 3 326.396 3.189 20 10 EGCDHM Cc1cc(CNCc2cc(Cl)cc(Br)c2[O-])on1 ZINC000708159540 1298238214 /nfs/dbraw/zinc/23/82/14/1298238214.db2.gz YPPJGROUGBJNLD-UHFFFAOYSA-N -1 3 331.597 3.394 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000724813938 1298348324 /nfs/dbraw/zinc/34/83/24/1298348324.db2.gz JLGGGHNAZUWRJQ-RNCFNFMXSA-N -1 3 346.652 3.419 20 10 EGCDHM Cc1ccc2c(c1)C(=O)N[C@@H](c1c([O-])cccc1Br)N2 ZINC000877862201 1299614646 /nfs/dbraw/zinc/61/46/46/1299614646.db2.gz HRUOTSJVWUZFDM-AWEZNQCLSA-N -1 3 333.185 3.317 20 10 EGCDHM Cc1cc(CN[C@H](C)c2cc(Br)c(F)cc2[O-])on1 ZINC000756544515 1300519149 /nfs/dbraw/zinc/51/91/49/1300519149.db2.gz JRNKJUSBSKSBMC-MRVPVSSYSA-N -1 3 329.169 3.441 20 10 EGCDHM C[C@@H](N[C@@H](CCO)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000886802074 1303603403 /nfs/dbraw/zinc/60/34/03/1303603403.db2.gz YHZIMDVGSZHGLJ-HQJQHLMTSA-N -1 3 342.155 3.119 20 10 EGCDHM C[C@@H](N[C@H](C)c1cc(Cl)c(Cl)cc1[O-])c1nnnn1C1CC1 ZINC000774379853 1303803994 /nfs/dbraw/zinc/80/39/94/1303803994.db2.gz GPPKAVYWDSFMEH-HTQZYQBOSA-N -1 3 342.230 3.432 20 10 EGCDHM COCCCOC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775715133 1304019341 /nfs/dbraw/zinc/01/93/41/1304019341.db2.gz XBSWXZHGPOCLAW-UHFFFAOYSA-N -1 3 331.815 3.202 20 10 EGCDHM O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1cccc(O)c1[O-] ZINC000776644322 1304181654 /nfs/dbraw/zinc/18/16/54/1304181654.db2.gz KYIHRHMZLAMVHA-MRXNPFEDSA-N -1 3 349.390 3.472 20 10 EGCDHM CN(Cc1nccn1Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000779017690 1304518118 /nfs/dbraw/zinc/51/81/18/1304518118.db2.gz XCQSNCULHJTJMK-UHFFFAOYSA-N -1 3 325.387 3.408 20 10 EGCDHM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)n1 ZINC000780862135 1304746148 /nfs/dbraw/zinc/74/61/48/1304746148.db2.gz HXROPLXTNKJJEP-UHFFFAOYSA-N -1 3 337.379 3.461 20 10 EGCDHM Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)c([O-])c1O ZINC000780967765 1304756466 /nfs/dbraw/zinc/75/64/66/1304756466.db2.gz XMJJPAWDJUWEKY-UHFFFAOYSA-N -1 3 345.305 3.327 20 10 EGCDHM O=C(NCCc1ccc(N2CCCCC2)cc1)c1cccc(O)c1[O-] ZINC000790541285 1306349031 /nfs/dbraw/zinc/34/90/31/1306349031.db2.gz GTTCQJHPHNOSIE-UHFFFAOYSA-N -1 3 340.423 3.061 20 10 EGCDHM O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC000790613482 1306362962 /nfs/dbraw/zinc/36/29/62/1306362962.db2.gz BHICRRRCBHPFQI-AAEUAGOBSA-N -1 3 337.297 3.403 20 10 EGCDHM O=C(Nc1ccnc(Sc2ccccn2)c1)c1cccc(O)c1[O-] ZINC000790627711 1306363474 /nfs/dbraw/zinc/36/34/74/1306363474.db2.gz VZESWFUUHIOUDT-UHFFFAOYSA-N -1 3 339.376 3.291 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)CC1(O)CCCC1 ZINC000790895237 1308881889 /nfs/dbraw/zinc/88/18/89/1308881889.db2.gz IIBJFZURHBWCFS-UHFFFAOYSA-N -1 3 341.407 3.045 20 10 EGCDHM CC(C)OC(=O)C[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894469504 1308905932 /nfs/dbraw/zinc/90/59/32/1308905932.db2.gz HUATWPCBQPIOLM-GFCCVEGCSA-N -1 3 327.371 3.224 20 10 EGCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])ccc1C(F)(F)F ZINC000791064946 1308920374 /nfs/dbraw/zinc/92/03/74/1308920374.db2.gz YAGWBHXJQNYPJR-UHFFFAOYSA-N -1 3 327.258 3.378 20 10 EGCDHM CC(C)(O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895460370 1309348234 /nfs/dbraw/zinc/34/82/34/1309348234.db2.gz MXOBBKHAOOBTFD-UHFFFAOYSA-N -1 3 346.240 3.277 20 10 EGCDHM CC(C)(O)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895470245 1309354714 /nfs/dbraw/zinc/35/47/14/1309354714.db2.gz HFGASTWYRZOLPF-LLVKDONJSA-N -1 3 346.240 3.277 20 10 EGCDHM Cc1noc(C[C@@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000897576631 1310391151 /nfs/dbraw/zinc/39/11/51/1310391151.db2.gz IBKMSHHXRANMIT-NSHDSACASA-N -1 3 339.798 3.331 20 10 EGCDHM CC(C)(C)N1CC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000897770436 1310461832 /nfs/dbraw/zinc/46/18/32/1310461832.db2.gz VUYDUIXJNHDHTR-GFCCVEGCSA-N -1 3 331.243 3.188 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000826023847 1320379664 /nfs/dbraw/zinc/37/96/64/1320379664.db2.gz INYPVEDSKVJWFW-HOTGVXAUSA-N -1 3 338.245 3.298 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697494 1317866319 /nfs/dbraw/zinc/86/63/19/1317866319.db2.gz HWWITKSXIRVOEE-WCBMZHEXSA-N -1 3 341.732 3.177 20 10 EGCDHM CC(C)OCc1nc([C@H](C)NCc2cc(Cl)ccc2[O-])no1 ZINC000811518981 1318193818 /nfs/dbraw/zinc/19/38/18/1318193818.db2.gz UHJJKJUBJGXGFB-JTQLQIEISA-N -1 3 325.796 3.204 20 10 EGCDHM Cc1cc([O-])c(CN2CCSC[C@@H]2c2cnn(C)c2)cc1Cl ZINC000825686073 1320354890 /nfs/dbraw/zinc/35/48/90/1320354890.db2.gz RSNWXOYSVCDDJO-OAHLLOKOSA-N -1 3 337.876 3.378 20 10 EGCDHM CC(C)OC(=O)[C@@H](NCc1ccc(Br)cc1[O-])C(C)C ZINC000826064868 1320381238 /nfs/dbraw/zinc/38/12/38/1320381238.db2.gz QFBYDCQDWKJFHK-AWEZNQCLSA-N -1 3 344.249 3.221 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2cccc(F)c2F)CC1 ZINC000837096668 1320572055 /nfs/dbraw/zinc/57/20/55/1320572055.db2.gz QEWHVPZFVPHAEX-UHFFFAOYSA-N -1 3 347.361 3.471 20 10 EGCDHM Cc1cc(Br)cc(C[NH2+][C@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000840995885 1321196395 /nfs/dbraw/zinc/19/63/95/1321196395.db2.gz OCCGQWGSRZNTBT-GFCCVEGCSA-N -1 3 330.222 3.052 20 10 EGCDHM CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000841443900 1321272190 /nfs/dbraw/zinc/27/21/90/1321272190.db2.gz JGYZEKPSTRKSFD-ZDUSSCGKSA-N -1 3 349.427 3.214 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN2CCOC[C@H]2C2CCC2)c1 ZINC000843427781 1321517628 /nfs/dbraw/zinc/51/76/28/1321517628.db2.gz COYVAGWGEOPZAO-HNNXBMFYSA-N -1 3 340.261 3.464 20 10 EGCDHM COC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(OC)c1 ZINC000850515450 1322259755 /nfs/dbraw/zinc/25/97/55/1322259755.db2.gz XZCJZPUNIRLDJF-SJKOYZFVSA-N -1 3 346.383 3.347 20 10 EGCDHM COc1ccc2c(c1)CCN(Cc1cc(F)cc(C(C)=O)c1[O-])C2 ZINC000852549528 1323207597 /nfs/dbraw/zinc/20/75/97/1323207597.db2.gz HEKYDFTVVSCABH-UHFFFAOYSA-N -1 3 329.371 3.301 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)CC2(CCC2)O1 ZINC000862399849 1329482899 /nfs/dbraw/zinc/48/28/99/1329482899.db2.gz FFHKUFHWLNTUBQ-LLVKDONJSA-N -1 3 326.234 3.298 20 10 EGCDHM COC(=O)[C@@H]1CN(Cc2cccc(Cl)c2[O-])Cc2ccccc21 ZINC000862538276 1329493760 /nfs/dbraw/zinc/49/37/60/1329493760.db2.gz PFGVDPIIMKHTQQ-OAHLLOKOSA-N -1 3 331.799 3.318 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@](O)(C2CC2)C1 ZINC001331567788 1389806049 /nfs/dbraw/zinc/80/60/49/1389806049.db2.gz KIFXJNZLFXUUFQ-AWEZNQCLSA-N -1 3 346.652 3.155 20 10 EGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cl)[n-]c1=O ZINC001195132758 1368385638 /nfs/dbraw/zinc/38/56/38/1368385638.db2.gz ARVBNHGNRCQUQR-UHFFFAOYSA-N -1 3 333.819 3.169 20 10 EGCDHM COc1c([O-])c(CN2CC(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC001325503014 1387993892 /nfs/dbraw/zinc/99/38/92/1387993892.db2.gz ZIPBYSWKTYTLOY-UHFFFAOYSA-N -1 3 332.331 3.048 20 10 EGCDHM O=C(NCCC(F)(F)F)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001187030634 1388042875 /nfs/dbraw/zinc/04/28/75/1388042875.db2.gz LAGWKEKTMSIOGL-UHFFFAOYSA-N -1 3 347.724 3.345 20 10 EGCDHM COC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203579606 1370177584 /nfs/dbraw/zinc/17/75/84/1370177584.db2.gz BBKVTBUXYZZVGN-ZJUUUORDSA-N -1 3 332.227 3.473 20 10 EGCDHM CCn1cc2c(n1)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]2COC ZINC001203656474 1370203996 /nfs/dbraw/zinc/20/39/96/1370203996.db2.gz PMJXVTCOSJQKSD-CYBMUJFWSA-N -1 3 335.835 3.008 20 10 EGCDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2cn(CC)nc21 ZINC001203658805 1370204941 /nfs/dbraw/zinc/20/49/41/1370204941.db2.gz PBIBZGHJEQNLSK-HNNXBMFYSA-N -1 3 349.862 3.398 20 10 EGCDHM CC(=O)c1cc(Nc2cc(Br)cc(F)c2[O-])ccn1 ZINC001210594535 1372386983 /nfs/dbraw/zinc/38/69/83/1372386983.db2.gz IIPGAWJPKGYLKA-UHFFFAOYSA-N -1 3 325.137 3.057 20 10 EGCDHM COCOc1ccccc1-c1noc(-c2ccc([O-])c(O)c2Cl)n1 ZINC001216951334 1373369935 /nfs/dbraw/zinc/36/99/35/1373369935.db2.gz GPJXFPVTXOXPJV-UHFFFAOYSA-N -1 3 348.742 3.451 20 10 EGCDHM Cc1cc(OC[C@@H]2CCCO2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542697 1375852993 /nfs/dbraw/zinc/85/29/93/1375852993.db2.gz NTXRANHMFCDQBN-LBPRGKRZSA-N -1 3 338.359 3.034 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[N@H+](Cc2ccccc2)C2CCOCC2)c1 ZINC001231564976 1376265626 /nfs/dbraw/zinc/26/56/26/1376265626.db2.gz MIFOOPOLIYKMPM-UHFFFAOYSA-N -1 3 341.407 3.272 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+](Cc2ccccc2)C2CCOCC2)c1 ZINC001231564976 1376265631 /nfs/dbraw/zinc/26/56/31/1376265631.db2.gz MIFOOPOLIYKMPM-UHFFFAOYSA-N -1 3 341.407 3.272 20 10 EGCDHM COc1ccc([C@@H]2CC[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)cc1 ZINC001231565883 1376267557 /nfs/dbraw/zinc/26/75/57/1376267557.db2.gz MTAFTWYFMJVEFI-OAHLLOKOSA-N -1 3 327.380 3.089 20 10 EGCDHM COc1ccc([C@@H]2CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)cc1 ZINC001231565883 1376267560 /nfs/dbraw/zinc/26/75/60/1376267560.db2.gz MTAFTWYFMJVEFI-OAHLLOKOSA-N -1 3 327.380 3.089 20 10 EGCDHM COc1cc([O-])c(CN2CC(Oc3ccccc3F)C2)cc1Cl ZINC001232269080 1376427764 /nfs/dbraw/zinc/42/77/64/1376427764.db2.gz ADZWQWRFHHJHAO-UHFFFAOYSA-N -1 3 337.778 3.457 20 10 EGCDHM [O-]c1ccc(F)c(F)c1CN1CCN2CCc3ccccc3[C@H]2C1 ZINC001233336056 1376617875 /nfs/dbraw/zinc/61/78/75/1376617875.db2.gz WYXHWRDQPYFZBA-QGZVFWFLSA-N -1 3 330.378 3.085 20 10 EGCDHM Cc1ccc(CN2CCN(Cc3c([O-])ccc(F)c3F)CC2)cc1 ZINC001233334575 1376618545 /nfs/dbraw/zinc/61/85/45/1376618545.db2.gz MFUUGRHRPJZPKD-UHFFFAOYSA-N -1 3 332.394 3.297 20 10 EGCDHM Cc1ccnc(OC2CCN(Cc3c([O-])ccc(F)c3F)CC2)c1 ZINC001233336591 1376620490 /nfs/dbraw/zinc/62/04/90/1376620490.db2.gz RKSLNHHVYLCXJF-UHFFFAOYSA-N -1 3 334.366 3.417 20 10 EGCDHM [O-]c1c(F)cccc1CN1CCN(Cc2c(F)cccc2F)CC1 ZINC001138129451 1377683006 /nfs/dbraw/zinc/68/30/06/1377683006.db2.gz DLIJPAGSAYLGNS-UHFFFAOYSA-N -1 3 336.357 3.127 20 10 EGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCOC2(CCCCC2)C1 ZINC001139129585 1377834920 /nfs/dbraw/zinc/83/49/20/1377834920.db2.gz ATHWGBBEKDFOMW-UHFFFAOYSA-N -1 3 343.423 3.342 20 10 EGCDHM COC(=O)c1cccc2c1CN(Cc1c([O-])cccc1Cl)CC2 ZINC001140341777 1378049833 /nfs/dbraw/zinc/04/98/33/1378049833.db2.gz HJUWKSBYCYEMPY-UHFFFAOYSA-N -1 3 331.799 3.391 20 10 EGCDHM CCOCc1ncn2c1CN(Cc1ccc(Cl)cc1[O-])CCC2 ZINC001140467869 1378069019 /nfs/dbraw/zinc/06/90/19/1378069019.db2.gz XXGYWDJCZDLYTN-UHFFFAOYSA-N -1 3 335.835 3.185 20 10 EGCDHM CC(C)(C)OC(=O)C[C@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140584061 1378090325 /nfs/dbraw/zinc/09/03/25/1378090325.db2.gz FEYDXBBLKRBDER-LLVKDONJSA-N -1 3 327.371 3.224 20 10 EGCDHM [O-]c1cc(F)cc(F)c1CN(Cc1cccnc1)C1CCOCC1 ZINC001140583263 1378090487 /nfs/dbraw/zinc/09/04/87/1378090487.db2.gz CBKQLSITOZBARW-UHFFFAOYSA-N -1 3 334.366 3.247 20 10 EGCDHM Cc1noc(C)c1CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142204259 1378420141 /nfs/dbraw/zinc/42/01/41/1378420141.db2.gz NXTPPAMRILWWBT-UHFFFAOYSA-N -1 3 345.786 3.058 20 10 EGCDHM CC(C)(C)OC(=O)O[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508690 1378450305 /nfs/dbraw/zinc/45/03/05/1378450305.db2.gz IAGSKFVEPWAHIS-NSHDSACASA-N -1 3 329.343 3.196 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001144293200 1378710872 /nfs/dbraw/zinc/71/08/72/1378710872.db2.gz LYULAKMWHDQRDK-ZUZCIYMTSA-N -1 3 344.224 3.295 20 10 EGCDHM CN(Cc1ccncc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298297 1378711951 /nfs/dbraw/zinc/71/19/51/1378711951.db2.gz AVDDSIIBVRMPKI-UHFFFAOYSA-N -1 3 325.181 3.321 20 10 EGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148662208 1379236069 /nfs/dbraw/zinc/23/60/69/1379236069.db2.gz JUKUPHGBJFSEOL-UHFFFAOYSA-N -1 3 340.423 3.323 20 10 EGCDHM CCOc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001157723779 1381015449 /nfs/dbraw/zinc/01/54/49/1381015449.db2.gz CJZVCIIVJLMRJC-UHFFFAOYSA-N -1 3 330.775 3.395 20 10 EGCDHM Nc1cn2ccc(NCc3cc(Cl)c4cccnc4c3[O-])cc2n1 ZINC001168523103 1383929647 /nfs/dbraw/zinc/92/96/47/1383929647.db2.gz ZUNYLSUDRQKWSH-UHFFFAOYSA-N -1 3 339.786 3.436 20 10 EGCDHM Cn1cnc2cnc(NCc3cc(Cl)c4cccnc4c3[O-])cc21 ZINC001168528630 1383930560 /nfs/dbraw/zinc/93/05/60/1383930560.db2.gz XARZDVJAAJCACR-UHFFFAOYSA-N -1 3 339.786 3.488 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)c1[O-] ZINC000844940185 955685251 /nfs/dbraw/zinc/68/52/51/955685251.db2.gz SXUVRUUHHRQOIJ-GOSISDBHSA-N -1 3 349.814 3.186 20 10 EGCDHM C[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001603306908 972587667 /nfs/dbraw/zinc/58/76/67/972587667.db2.gz NWAWVCFSAMBUAX-HXUWFJFHSA-N -1 3 341.407 3.268 20 10 EGCDHM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001603306908 972587673 /nfs/dbraw/zinc/58/76/73/972587673.db2.gz NWAWVCFSAMBUAX-HXUWFJFHSA-N -1 3 341.407 3.268 20 10 EGCDHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001592275055 977552767 /nfs/dbraw/zinc/55/27/67/977552767.db2.gz ZLVYIMGLMWOZKG-OLZOCXBDSA-N -1 3 342.395 3.158 20 10 EGCDHM CCCOc1ncccc1CN[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001595975074 983206975 /nfs/dbraw/zinc/20/69/75/983206975.db2.gz SRUHJIYKYMVWLI-GFCCVEGCSA-N -1 3 330.384 3.125 20 10 EGCDHM C[C@H](N[C@@H](CCO)c1ccccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593211163 994262979 /nfs/dbraw/zinc/26/29/79/994262979.db2.gz VMKHHXMPBVRVID-ZBEGNZNMSA-N -1 3 333.359 3.004 20 10 EGCDHM C[C@@H]([NH2+]C[C@@H](C)N(C)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240327 994428153 /nfs/dbraw/zinc/42/81/53/994428153.db2.gz MYPOCTVDHZKJDE-ZIAGYGMSSA-N -1 3 328.412 3.266 20 10 EGCDHM COc1cc(C)c(C[NH2+][C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC001599391216 997039635 /nfs/dbraw/zinc/03/96/35/997039635.db2.gz LDIVBOHLXHKVKT-RHSMWYFYSA-N -1 3 343.423 3.131 20 10 EGCDHM Cc1cc(C)[n-]c(=NNC(=S)Nc2ccc(OC(F)F)cc2)n1 ZINC000003277861 209994985 /nfs/dbraw/zinc/99/49/85/209994985.db2.gz JWCMRJHQUXURRE-UHFFFAOYSA-N -1 3 339.371 3.008 20 10 EGCDHM CCN(Cc1cc(C)on1)Cc1cc(Br)ccc1[O-] ZINC000076118597 453967004 /nfs/dbraw/zinc/96/70/04/453967004.db2.gz HGULTRFDSWDZII-UHFFFAOYSA-N -1 3 325.206 3.473 20 10 EGCDHM CCc1ccc([C@H]2CN(C(=O)c3ccc(C)c(O)c3[O-])CCO2)cc1 ZINC000190904563 455401663 /nfs/dbraw/zinc/40/16/63/455401663.db2.gz QGFFLQXSPYFIAX-QGZVFWFLSA-N -1 3 341.407 3.182 20 10 EGCDHM CN(Cc1ccccc1[O-])[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000095983172 454250892 /nfs/dbraw/zinc/25/08/92/454250892.db2.gz JWHBBXMPOSUMPM-AWEZNQCLSA-N -1 3 337.828 3.006 20 10 EGCDHM Cc1[nH]ccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134267357 454522479 /nfs/dbraw/zinc/52/24/79/454522479.db2.gz ICJFRGOPASBEHG-HNNXBMFYSA-N -1 3 347.846 3.077 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCCc3c2cnn3C)c1[O-] ZINC000135648578 454696614 /nfs/dbraw/zinc/69/66/14/454696614.db2.gz NRXWLPKTEUORIX-MRXNPFEDSA-N -1 3 347.846 3.491 20 10 EGCDHM CNC(=O)CC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093588147 454721981 /nfs/dbraw/zinc/72/19/81/454721981.db2.gz JPLGVTGWEHYCNI-UHFFFAOYSA-N -1 3 331.243 3.047 20 10 EGCDHM C[C@H](C(=O)NCc1ccccc1Cl)N(C)Cc1ccccc1[O-] ZINC000111236489 454858884 /nfs/dbraw/zinc/85/88/84/454858884.db2.gz NXPCXEZFBRZNRD-CYBMUJFWSA-N -1 3 332.831 3.182 20 10 EGCDHM Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCCc2cccc([O-])c21 ZINC000155666667 455029104 /nfs/dbraw/zinc/02/91/04/455029104.db2.gz BVEAGSLPCPZCRY-CMDGGOBGSA-N -1 3 331.803 3.080 20 10 EGCDHM COc1ccc([C@H]2CCN(C(=O)c3ccc(C)c(O)c3[O-])C2)cc1 ZINC000182277904 455478743 /nfs/dbraw/zinc/47/87/43/455478743.db2.gz QNOWVEACGVKYHX-AWEZNQCLSA-N -1 3 327.380 3.045 20 10 EGCDHM CC(=O)c1cc(F)cc(CNC2(c3noc(C)n3)CCCCC2)c1[O-] ZINC000267472811 455551851 /nfs/dbraw/zinc/55/18/51/455551851.db2.gz YZEXDBACTOQFRO-UHFFFAOYSA-N -1 3 347.390 3.375 20 10 EGCDHM C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(F)cc1[O-] ZINC000186022497 455677589 /nfs/dbraw/zinc/67/75/89/455677589.db2.gz MSAKHFUZAZPWQN-XHDPSFHLSA-N -1 3 332.350 3.127 20 10 EGCDHM Cc1cc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])nc(N2CCCC2)n1 ZINC000293761893 455797566 /nfs/dbraw/zinc/79/75/66/455797566.db2.gz SEPMFARYUXRRMX-LBPRGKRZSA-N -1 3 348.397 3.220 20 10 EGCDHM CCn1cnnc1CN[C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293950708 455801067 /nfs/dbraw/zinc/80/10/67/455801067.db2.gz ZHMPSQGDVFAGEI-GOSISDBHSA-N -1 3 336.439 3.467 20 10 EGCDHM COc1c([O-])c(CN[C@@H](c2ncccc2C)C(C)C)ccc1[N+](=O)[O-] ZINC000278309965 455813506 /nfs/dbraw/zinc/81/35/06/455813506.db2.gz DWRHVNXSIIEAIW-OAHLLOKOSA-N -1 3 345.399 3.499 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc3c(n2)CCCC3)c1 ZINC000278510133 455838797 /nfs/dbraw/zinc/83/87/97/455838797.db2.gz RJAQZFSGUXHQDP-CYBMUJFWSA-N -1 3 340.423 3.303 20 10 EGCDHM COc1c([O-])c(CN(CCC(F)(F)F)CC2CC2)ccc1[N+](=O)[O-] ZINC000278558014 455839933 /nfs/dbraw/zinc/83/99/33/455839933.db2.gz AVBZZJSSQVIBDC-UHFFFAOYSA-N -1 3 348.321 3.473 20 10 EGCDHM CCCCN(Cc1ccccc1[O-])[C@H](C)c1nc(N)nc(Cl)n1 ZINC000295374636 455847597 /nfs/dbraw/zinc/84/75/97/455847597.db2.gz POPKZBOJTIYYIH-LLVKDONJSA-N -1 3 335.839 3.176 20 10 EGCDHM Cc1nn(C)c(Cl)c1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000269640208 455851002 /nfs/dbraw/zinc/85/10/02/455851002.db2.gz NXYOVRAVJCGIJM-OAHLLOKOSA-N -1 3 349.862 3.269 20 10 EGCDHM Cc1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c([O-])c1O ZINC000278989458 455855240 /nfs/dbraw/zinc/85/52/40/455855240.db2.gz QDEZGXDMKVMNNF-SSDOTTSWSA-N -1 3 346.330 3.373 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](CSc2ccccc2)C1 ZINC000187146128 455874155 /nfs/dbraw/zinc/87/41/55/455874155.db2.gz LPTGHBOIKPGRBG-ZDUSSCGKSA-N -1 3 329.421 3.352 20 10 EGCDHM CC(C)c1nnc(CN[C@H](C)c2ccc(Br)cc2[O-])[nH]1 ZINC000296386275 455924463 /nfs/dbraw/zinc/92/44/63/455924463.db2.gz JVLGLWNCEARLHW-SECBINFHSA-N -1 3 339.237 3.247 20 10 EGCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000280436317 455971002 /nfs/dbraw/zinc/97/10/02/455971002.db2.gz JZWJXGMMSAOBOF-RHSMWYFYSA-N -1 3 345.370 3.229 20 10 EGCDHM C[C@H](NCc1ccnc(N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273303835 456222773 /nfs/dbraw/zinc/22/27/73/456222773.db2.gz CETYACTZNPDPTQ-ZDUSSCGKSA-N -1 3 342.399 3.146 20 10 EGCDHM C[C@H](NCc1ccc(N(C)C)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604037 456241242 /nfs/dbraw/zinc/24/12/42/456241242.db2.gz SPJWAJSPIOLHIF-NSHDSACASA-N -1 3 333.363 3.356 20 10 EGCDHM C[C@H](CF)NCc1cc(Br)cc(Br)c1[O-] ZINC000290155229 456254315 /nfs/dbraw/zinc/25/43/15/456254315.db2.gz LLPIVLMMRALLDH-ZCFIWIBFSA-N -1 3 341.018 3.365 20 10 EGCDHM COCCc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000274834235 456266174 /nfs/dbraw/zinc/26/61/74/456266174.db2.gz UXONTNPBSVZLOR-UHFFFAOYSA-N -1 3 349.452 3.307 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OC3COC3)cc2)c1 ZINC000275735038 456300476 /nfs/dbraw/zinc/30/04/76/456300476.db2.gz PRIXXFIECPGDIY-GFCCVEGCSA-N -1 3 343.379 3.130 20 10 EGCDHM CC[C@@H](N[C@H]1CCc2cccc([O-])c21)c1nnc2n1CCCCC2 ZINC000297928747 456326966 /nfs/dbraw/zinc/32/69/66/456326966.db2.gz XLNBIISSYKPCDT-CABCVRRESA-N -1 3 326.444 3.438 20 10 EGCDHM Cc1nc2cc(CNC(=O)c3cccc(O)c3[O-])ccc2n1C1CC1 ZINC000298405502 456448775 /nfs/dbraw/zinc/44/87/75/456448775.db2.gz NNOKLJGCIRIRLY-UHFFFAOYSA-N -1 3 337.379 3.021 20 10 EGCDHM COCCn1cc(CN[C@H](C)c2cc(Cl)c(Cl)cc2[O-])cn1 ZINC000282490047 456530714 /nfs/dbraw/zinc/53/07/14/456530714.db2.gz HQVHHGDOGVPCLT-SNVBAGLBSA-N -1 3 344.242 3.393 20 10 EGCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000298937849 456572128 /nfs/dbraw/zinc/57/21/28/456572128.db2.gz FRDXEVOSLYOYRS-UHFFFAOYSA-N -1 3 337.427 3.075 20 10 EGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@H]1CC=CCC1 ZINC000277376035 456801464 /nfs/dbraw/zinc/80/14/64/456801464.db2.gz OPMAOFISPZIECW-LBPRGKRZSA-N -1 3 334.803 3.166 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@H]1c1ccco1 ZINC000369774409 457392295 /nfs/dbraw/zinc/39/22/95/457392295.db2.gz UAFDCBMAUINKNY-ZDUSSCGKSA-N -1 3 338.201 3.321 20 10 EGCDHM Cc1ccc(C(=O)N2CCCN(C)c3cc(F)ccc32)c([O-])c1O ZINC000364702452 457676365 /nfs/dbraw/zinc/67/63/65/457676365.db2.gz OFXVIKPXBBGBPU-UHFFFAOYSA-N -1 3 330.359 3.032 20 10 EGCDHM Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c([O-])c1O ZINC000365935537 457783828 /nfs/dbraw/zinc/78/38/28/457783828.db2.gz XWSQRXRGTKGDTM-QGZVFWFLSA-N -1 3 334.375 3.321 20 10 EGCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000366588770 457862160 /nfs/dbraw/zinc/86/21/60/457862160.db2.gz RCSLCONURMAKRH-CBZIJGRNSA-N -1 3 348.874 3.172 20 10 EGCDHM CSc1nnc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[n-]1 ZINC000727486120 574670890 /nfs/dbraw/zinc/67/08/90/574670890.db2.gz CNPHEMUAWSCNHY-UHFFFAOYSA-N -1 3 341.440 3.495 20 10 EGCDHM CSc1n[n-]c(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000727486120 574670891 /nfs/dbraw/zinc/67/08/91/574670891.db2.gz CNPHEMUAWSCNHY-UHFFFAOYSA-N -1 3 341.440 3.495 20 10 EGCDHM CSc1nc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n[n-]1 ZINC000727486120 574670892 /nfs/dbraw/zinc/67/08/92/574670892.db2.gz CNPHEMUAWSCNHY-UHFFFAOYSA-N -1 3 341.440 3.495 20 10 EGCDHM CC(C)OC(=O)C[C@@H](NC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731864828 575213356 /nfs/dbraw/zinc/21/33/56/575213356.db2.gz AQCKDNXEQTUBTB-CQSZACIVSA-N -1 3 333.409 3.267 20 10 EGCDHM C[C@@H]1CN(c2ccc(NC(=O)c3cc([O-])cs3)cc2)C[C@H](C)O1 ZINC000731872439 575214436 /nfs/dbraw/zinc/21/44/36/575214436.db2.gz KIBDSYBTLUYCAW-TXEJJXNPSA-N -1 3 332.425 3.320 20 10 EGCDHM O=C(Nc1ccc(I)cc1)c1cc([O-])cs1 ZINC000731867761 575216190 /nfs/dbraw/zinc/21/61/90/575216190.db2.gz TYOOQKBWCWYDQA-UHFFFAOYSA-N -1 3 345.161 3.311 20 10 EGCDHM O=C(OCCOc1cccc(Br)c1)c1cc([O-])cs1 ZINC000731910976 575218675 /nfs/dbraw/zinc/21/86/75/575218675.db2.gz YAHXAOJXNZQFIE-UHFFFAOYSA-N -1 3 343.198 3.452 20 10 EGCDHM O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cc([O-])cs1 ZINC000732353497 575261691 /nfs/dbraw/zinc/26/16/91/575261691.db2.gz RKJVNKLAUFATFF-UHFFFAOYSA-N -1 3 342.372 3.406 20 10 EGCDHM Cc1ccc([C@H](NC(=O)COC(=O)c2cc([O-])cs2)C2CC2)cc1 ZINC000732353906 575261789 /nfs/dbraw/zinc/26/17/89/575261789.db2.gz CZYUBKIWFQLJNE-KRWDZBQOSA-N -1 3 345.420 3.186 20 10 EGCDHM COC(=O)c1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000734159696 575449526 /nfs/dbraw/zinc/44/95/26/575449526.db2.gz HNHGDNDVWGQEFU-UHFFFAOYSA-N -1 3 330.167 3.368 20 10 EGCDHM CC(=O)N(Cc1ccc(NC(=O)c2cc([O-])cs2)cc1)C1CC1 ZINC000736688093 576005817 /nfs/dbraw/zinc/00/58/17/576005817.db2.gz HSXHJPJUBZPJSF-UHFFFAOYSA-N -1 3 330.409 3.217 20 10 EGCDHM CCOC(=O)[C@@H](CC)N(CC)Cc1cc(Br)ccc1[O-] ZINC000743873095 576818120 /nfs/dbraw/zinc/81/81/20/576818120.db2.gz JJJOEKGPZOEZOB-CYBMUJFWSA-N -1 3 344.249 3.318 20 10 EGCDHM Cc1nnc([C@@H](C)NCc2ccc(Br)cc2[O-])s1 ZINC000691501451 1298133204 /nfs/dbraw/zinc/13/32/04/1298133204.db2.gz OGIPHCRPTCVECW-SSDOTTSWSA-N -1 3 328.235 3.165 20 10 EGCDHM COCCN(Cc1ccc(C)o1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000125091414 1293495036 /nfs/dbraw/zinc/49/50/36/1293495036.db2.gz YVNMNEHQWMQXFA-UHFFFAOYSA-N -1 3 335.375 3.284 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCOCC12CCCC2 ZINC000707129717 1298225330 /nfs/dbraw/zinc/22/53/30/1298225330.db2.gz MTMZJLJHOFYECH-UHFFFAOYSA-N -1 3 326.234 3.300 20 10 EGCDHM CO[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])[C@@H](C)C1 ZINC000715739951 1298286791 /nfs/dbraw/zinc/28/67/91/1298286791.db2.gz XSXHDAGYGKIGIN-JOYOIKCWSA-N -1 3 332.213 3.293 20 10 EGCDHM COCCN(Cc1cccs1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000750820817 1299458202 /nfs/dbraw/zinc/45/82/02/1299458202.db2.gz WGZBAFWRDRZAMO-UHFFFAOYSA-N -1 3 337.416 3.444 20 10 EGCDHM Cc1ccc2c(c1)C(=O)N[C@@H](c1ccc(Br)cc1[O-])N2 ZINC000877862975 1299615146 /nfs/dbraw/zinc/61/51/46/1299615146.db2.gz PXYSAUDKKKIWLL-AWEZNQCLSA-N -1 3 333.185 3.317 20 10 EGCDHM Cc1ccc2c(c1)N[C@H](c1ccc(Br)cc1[O-])NC2=O ZINC000877866744 1299616405 /nfs/dbraw/zinc/61/64/05/1299616405.db2.gz ZAIAANBTCOCLNG-AWEZNQCLSA-N -1 3 333.185 3.317 20 10 EGCDHM O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)c(F)c1 ZINC000756378350 1300479670 /nfs/dbraw/zinc/47/96/70/1300479670.db2.gz DUEHKYJYEVELJR-MRXNPFEDSA-N -1 3 335.762 3.330 20 10 EGCDHM CCNC(=O)c1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000756869501 1300582868 /nfs/dbraw/zinc/58/28/68/1300582868.db2.gz WTNMDMBSRUIAKA-GFCCVEGCSA-N -1 3 342.395 3.102 20 10 EGCDHM [O-]c1cccc(Cl)c1CNc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000758455029 1300889063 /nfs/dbraw/zinc/88/90/63/1300889063.db2.gz GFJKYTXZMRESCD-UHFFFAOYSA-N -1 3 345.742 3.436 20 10 EGCDHM COC(=O)CN(CCCc1ccncc1)Cc1cc(Cl)ccc1[O-] ZINC000764977709 1302179769 /nfs/dbraw/zinc/17/97/69/1302179769.db2.gz RKXZIUJQQPBKGQ-UHFFFAOYSA-N -1 3 348.830 3.048 20 10 EGCDHM O=[N+]([O-])c1ccc(N2CCN(Cc3c([O-])cccc3Cl)CC2)cc1 ZINC000768149897 1302838264 /nfs/dbraw/zinc/83/82/64/1302838264.db2.gz GHOWGKOUOXQYSN-UHFFFAOYSA-N -1 3 347.802 3.276 20 10 EGCDHM O=C1CN(Cc2c([O-])cccc2Cl)CCN1Cc1cccc(F)c1 ZINC000769483355 1303123307 /nfs/dbraw/zinc/12/33/07/1303123307.db2.gz OXWKMRGBVYRHJO-UHFFFAOYSA-N -1 3 348.805 3.029 20 10 EGCDHM Cc1ccc(C(=O)Nc2nc(Cc3ccccc3)ns2)c([O-])c1O ZINC000780933529 1304753654 /nfs/dbraw/zinc/75/36/54/1304753654.db2.gz YTSFNAUJDGUNEM-UHFFFAOYSA-N -1 3 341.392 3.101 20 10 EGCDHM CO[C@]1(C(F)(F)F)CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000781985845 1304898412 /nfs/dbraw/zinc/89/84/12/1304898412.db2.gz PVVJVHJFDVZHGU-OAHLLOKOSA-N -1 3 349.324 3.277 20 10 EGCDHM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000790600176 1306358232 /nfs/dbraw/zinc/35/82/32/1306358232.db2.gz BIXXFUKDASQOMF-HNAYVOBHSA-N -1 3 341.407 3.338 20 10 EGCDHM CCc1cccc(NC(=O)CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790961538 1308896429 /nfs/dbraw/zinc/89/64/29/1308896429.db2.gz XEQQGOFXWPABBU-UHFFFAOYSA-N -1 3 336.794 3.475 20 10 EGCDHM O=C(NC1CC1)c1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790962833 1308897081 /nfs/dbraw/zinc/89/70/81/1308897081.db2.gz URXSBLCWNWEUHX-UHFFFAOYSA-N -1 3 348.805 3.367 20 10 EGCDHM O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cccc(O)c1[O-] ZINC000797770004 1310244111 /nfs/dbraw/zinc/24/41/11/1310244111.db2.gz ILRNVHCJAJVRSV-WCQYABFASA-N -1 3 348.196 3.146 20 10 EGCDHM CC(=O)c1ccc2c(c1)CN(Cc1cc(F)cc(C(C)=O)c1[O-])C2 ZINC000839633517 1320948465 /nfs/dbraw/zinc/94/84/65/1320948465.db2.gz RVGWJXLAPLMDJE-UHFFFAOYSA-N -1 3 327.355 3.452 20 10 EGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000809702962 1317869778 /nfs/dbraw/zinc/86/97/78/1317869778.db2.gz BIJXOCCOHLXBCJ-ZDUSSCGKSA-N -1 3 341.732 3.464 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000816498706 1319167190 /nfs/dbraw/zinc/16/71/90/1319167190.db2.gz HTQCQKBZSAMGDX-CQSZACIVSA-N -1 3 343.826 3.345 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666119 1319204917 /nfs/dbraw/zinc/20/49/17/1319204917.db2.gz FCMJTTAHGQNSGI-JKSUJKDBSA-N -1 3 338.245 3.298 20 10 EGCDHM CCOc1cccc(CN(CCO)Cc2c([O-])cccc2Cl)c1 ZINC000825300053 1320325547 /nfs/dbraw/zinc/32/55/47/1320325547.db2.gz USEPENGLFFRMEV-UHFFFAOYSA-N -1 3 335.831 3.439 20 10 EGCDHM CCOc1cc(O)ccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000840913408 1321176325 /nfs/dbraw/zinc/17/63/25/1321176325.db2.gz DZYUFDYKWWNOLC-WMLDXEAASA-N -1 3 333.409 3.089 20 10 EGCDHM Cc1cc([O-])c([C@H]2NC(=O)[C@H]3c4ccccc4CCN32)cc1Cl ZINC000849182772 1322094657 /nfs/dbraw/zinc/09/46/57/1322094657.db2.gz NBDKPZJZAZKFOT-SJORKVTESA-N -1 3 328.799 3.082 20 10 EGCDHM CO[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])[C@@H](C)C1 ZINC001144308677 1378715577 /nfs/dbraw/zinc/71/55/77/1378715577.db2.gz SVASCTDTXQMEBH-GXSJLCMTSA-N -1 3 332.213 3.293 20 10 EGCDHM COc1ccc(Cl)c(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1 ZINC001215325450 1373197867 /nfs/dbraw/zinc/19/78/67/1373197867.db2.gz UHEKVDBMGNBXBS-UHFFFAOYSA-N -1 3 334.715 3.182 20 10 EGCDHM COc1nc(C)ccc1-c1noc(-c2ccc([O-])c(O)c2Cl)n1 ZINC001216954135 1373370413 /nfs/dbraw/zinc/37/04/13/1373370413.db2.gz QLHFIRVNMIOKRB-UHFFFAOYSA-N -1 3 333.731 3.180 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(F)nc1 ZINC001188661567 1388356198 /nfs/dbraw/zinc/35/61/98/1388356198.db2.gz IDPDKQVFCWWZQV-UHFFFAOYSA-N -1 3 331.734 3.058 20 10 EGCDHM O=C1CCC(Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)CC1 ZINC001226380246 1375249224 /nfs/dbraw/zinc/24/92/24/1375249224.db2.gz QDMGVPRLEOTKNO-UHFFFAOYSA-N -1 3 336.343 3.058 20 10 EGCDHM COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231559685 1376263827 /nfs/dbraw/zinc/26/38/27/1376263827.db2.gz IIWRRHJTOUEGHL-CQSZACIVSA-N -1 3 327.380 3.089 20 10 EGCDHM COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231559685 1376263843 /nfs/dbraw/zinc/26/38/43/1376263843.db2.gz IIWRRHJTOUEGHL-CQSZACIVSA-N -1 3 327.380 3.089 20 10 EGCDHM COC(=O)c1ccc2c(c1)CCN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232260942 1376426069 /nfs/dbraw/zinc/42/60/69/1376426069.db2.gz TZYQBEJVPAFNFP-UHFFFAOYSA-N -1 3 347.798 3.096 20 10 EGCDHM [O-]c1c(CN2CC[C@H](N3CCCCC3)[C@@H](F)C2)ccc(F)c1F ZINC001233079611 1376564355 /nfs/dbraw/zinc/56/43/55/1376564355.db2.gz HCAQSCGEDLOOSM-GJZGRUSLSA-N -1 3 328.378 3.069 20 10 EGCDHM [O-]c1c(F)ccc(F)c1CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001139684510 1377933766 /nfs/dbraw/zinc/93/37/66/1377933766.db2.gz XOAJLIZXWDQYON-GJZGRUSLSA-N -1 3 330.378 3.129 20 10 EGCDHM O=C(c1ccccc1Cl)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC001140055072 1377996850 /nfs/dbraw/zinc/99/68/50/1377996850.db2.gz HBWAWVOXRCBWBT-UHFFFAOYSA-N -1 3 348.805 3.143 20 10 EGCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Cl)Cc2nn(CC)cc21 ZINC001140339564 1378049562 /nfs/dbraw/zinc/04/95/62/1378049562.db2.gz XMUCCNKQSDRGON-ZDUSSCGKSA-N -1 3 349.862 3.398 20 10 EGCDHM CC(C)(C)OC(=O)NC1(C)CN(Cc2c([O-])cccc2Cl)C1 ZINC001140341422 1378049624 /nfs/dbraw/zinc/04/96/24/1378049624.db2.gz MWVHHJAFWCRBOC-UHFFFAOYSA-N -1 3 326.824 3.145 20 10 EGCDHM Cc1cccc(C(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)c1 ZINC001140345396 1378050691 /nfs/dbraw/zinc/05/06/91/1378050691.db2.gz VAMHPEWNDTWUOD-UHFFFAOYSA-N -1 3 344.842 3.312 20 10 EGCDHM C[C@H]1CC[C@H](CO)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367558 1378311940 /nfs/dbraw/zinc/31/19/40/1378311940.db2.gz FTQKSKDAJAZBSP-UWVGGRQHSA-N -1 3 348.668 3.401 20 10 EGCDHM C[C@@H]1CC[C@H](CO)CN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367560 1378312399 /nfs/dbraw/zinc/31/23/99/1378312399.db2.gz FTQKSKDAJAZBSP-ZJUUUORDSA-N -1 3 348.668 3.401 20 10 EGCDHM COc1ccccc1O[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142520820 1378452147 /nfs/dbraw/zinc/45/21/47/1378452147.db2.gz PUPLCZHKTUBMFO-ZDUSSCGKSA-N -1 3 335.350 3.332 20 10 EGCDHM CC(C)(C)OC(=O)NCCC1CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524580 1378453115 /nfs/dbraw/zinc/45/31/15/1378453115.db2.gz BOPRKBHUOBBDFB-UHFFFAOYSA-N -1 3 342.386 3.017 20 10 EGCDHM CCOc1cccc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)c1 ZINC001142527102 1378453478 /nfs/dbraw/zinc/45/34/78/1378453478.db2.gz KSIWFBQTCQLSDR-UHFFFAOYSA-N -1 3 348.393 3.391 20 10 EGCDHM O=C(Cc1ccccc1O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001144270073 1378708133 /nfs/dbraw/zinc/70/81/33/1378708133.db2.gz VPZMWYUJYFSGLJ-UHFFFAOYSA-N -1 3 342.782 3.158 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001144293193 1378710744 /nfs/dbraw/zinc/71/07/44/1378710744.db2.gz LYULAKMWHDQRDK-BMIGLBTASA-N -1 3 344.224 3.295 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@]2(C1)CCCCO2 ZINC001144294209 1378712000 /nfs/dbraw/zinc/71/20/00/1378712000.db2.gz ZQQCOOMDCFZXLO-OAHLLOKOSA-N -1 3 344.224 3.439 20 10 EGCDHM C[C@]1(O)CCCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298950 1378713273 /nfs/dbraw/zinc/71/32/73/1378713273.db2.gz MNQBDNZWFMHAPI-AWEZNQCLSA-N -1 3 332.213 3.031 20 10 EGCDHM O=C1CCC[C@H]2CN(Cc3cc(Br)c(F)cc3[O-])C[C@@H]12 ZINC001144308455 1378715217 /nfs/dbraw/zinc/71/52/17/1378715217.db2.gz NEKLFFNDNRPSSD-GXSJLCMTSA-N -1 3 342.208 3.095 20 10 EGCDHM COC(=O)c1sc2c(c1NC(=O)c1cccc(O)c1[O-])CCCC2 ZINC001148212071 1379134138 /nfs/dbraw/zinc/13/41/38/1379134138.db2.gz KUSFDXMZRZNBDL-UHFFFAOYSA-N -1 3 347.392 3.077 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2ccccc2)C(F)(F)C1 ZINC001148219192 1379134848 /nfs/dbraw/zinc/13/48/48/1379134848.db2.gz WHUBOBWPRJCXEQ-CQSZACIVSA-N -1 3 333.334 3.363 20 10 EGCDHM O=C(c1c(O)cc2ccccc2c1[O-])N1CCc2cccc(O)c2C1 ZINC001154026784 1380184031 /nfs/dbraw/zinc/18/40/31/1380184031.db2.gz QCYZJSRMGGQJOY-UHFFFAOYSA-N -1 3 335.359 3.155 20 10 EGCDHM CCOc1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncn1 ZINC001157726389 1381015973 /nfs/dbraw/zinc/01/59/73/1381015973.db2.gz NWEFARMFMKULHQ-UHFFFAOYSA-N -1 3 330.775 3.395 20 10 EGCDHM Nc1nc(NCc2cc(Cl)c3cccnc3c2[O-])ccc1[N+](=O)[O-] ZINC001157726250 1381016303 /nfs/dbraw/zinc/01/63/03/1381016303.db2.gz HRGUAHHBLVPRTF-UHFFFAOYSA-N -1 3 345.746 3.091 20 10 EGCDHM [O-]c1c(CNc2cc3c(nn2)CCC3)cc(Cl)c2cccnc12 ZINC001157727398 1381016339 /nfs/dbraw/zinc/01/63/39/1381016339.db2.gz LMWQCWLAOBHQGY-UHFFFAOYSA-N -1 3 326.787 3.485 20 10 EGCDHM [O-]c1c(CNc2ccc3[nH]cnc3n2)cc(Cl)c2cccnc12 ZINC001168528239 1383930343 /nfs/dbraw/zinc/93/03/43/1383930343.db2.gz QSLJXECPSSQMRP-UHFFFAOYSA-N -1 3 325.759 3.477 20 10 EGCDHM COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000322103864 970847357 /nfs/dbraw/zinc/84/73/57/970847357.db2.gz HVHNBZQFNVNJNX-LBPRGKRZSA-N -1 3 341.835 3.377 20 10 EGCDHM COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000322103864 970847365 /nfs/dbraw/zinc/84/73/65/970847365.db2.gz HVHNBZQFNVNJNX-LBPRGKRZSA-N -1 3 341.835 3.377 20 10 EGCDHM CCC[N@H+](CCOc1ccccc1C(=O)[O-])Cc1ccccc1[O-] ZINC000183919096 949495380 /nfs/dbraw/zinc/49/53/80/949495380.db2.gz KUUMOEYEOPYEQB-UHFFFAOYSA-N -1 3 329.396 3.381 20 10 EGCDHM CCC[N@@H+](CCOc1ccccc1C(=O)[O-])Cc1ccccc1[O-] ZINC000183919096 949495394 /nfs/dbraw/zinc/49/53/94/949495394.db2.gz KUUMOEYEOPYEQB-UHFFFAOYSA-N -1 3 329.396 3.381 20 10 EGCDHM C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])Oc1cccc(F)c1 ZINC001592706726 979178467 /nfs/dbraw/zinc/17/84/67/979178467.db2.gz LCDGROCFVSWCJK-NEPJUHHUSA-N -1 3 333.359 3.348 20 10 EGCDHM CCC[N@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)Cc1ccccc1[O-] ZINC001595891202 982925432 /nfs/dbraw/zinc/92/54/32/982925432.db2.gz ORFYPDJFBJHMBU-UHFFFAOYSA-N -1 3 345.443 3.092 20 10 EGCDHM CCC[N@@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)Cc1ccccc1[O-] ZINC001595891202 982925438 /nfs/dbraw/zinc/92/54/38/982925438.db2.gz ORFYPDJFBJHMBU-UHFFFAOYSA-N -1 3 345.443 3.092 20 10 EGCDHM CCN(CC)[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccco1 ZINC001596256183 983666677 /nfs/dbraw/zinc/66/66/77/983666677.db2.gz NILYZMOMOLXJRT-CZUORRHYSA-N -1 3 346.427 3.417 20 10 EGCDHM CCN(CC)c1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)[nH]2)cc1 ZINC001596289405 983709377 /nfs/dbraw/zinc/70/93/77/983709377.db2.gz HSLJFGPGZQMWHA-UHFFFAOYSA-N -1 3 329.444 3.500 20 10 EGCDHM CCc1[nH]c(CN(CC)Cc2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC001597380691 987579344 /nfs/dbraw/zinc/57/93/44/987579344.db2.gz WNFYSWFDYXGSHU-UHFFFAOYSA-N -1 3 329.444 3.363 20 10 EGCDHM C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593196182 994153069 /nfs/dbraw/zinc/15/30/69/994153069.db2.gz GCWVWQLZTIVJJU-NJSLBKSFSA-N -1 3 342.439 3.432 20 10 EGCDHM COc1ccc2ccc([O-])c(C[NH+]3CCC(CC(=O)[O-])CC3)c2c1 ZINC001599635746 994285644 /nfs/dbraw/zinc/28/56/44/994285644.db2.gz FZMQNTDMHWBXHF-UHFFFAOYSA-N -1 3 329.396 3.241 20 10 EGCDHM C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220060 994306319 /nfs/dbraw/zinc/30/63/19/994306319.db2.gz QAXOGQWGMRDDHT-IRWQIABSSA-N -1 3 340.423 3.186 20 10 EGCDHM C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593303213 994731850 /nfs/dbraw/zinc/73/18/50/994731850.db2.gz FHKKDDFOHALMNN-LBPRGKRZSA-N -1 3 327.380 3.014 20 10 EGCDHM COc1cccc(C[C@H](C)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001599667209 994748786 /nfs/dbraw/zinc/74/87/86/994748786.db2.gz XWICWQHYVSWRJW-QWHCGFSZSA-N -1 3 329.396 3.381 20 10 EGCDHM C[C@H](NCc1ccc2c(n1)CCCC2)c1cc(C(=O)[O-])ccc1O ZINC001593305346 994763410 /nfs/dbraw/zinc/76/34/10/994763410.db2.gz YGLDTAPWWOWVEB-LBPRGKRZSA-N -1 3 326.396 3.215 20 10 EGCDHM CC[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287764483 456077635 /nfs/dbraw/zinc/07/76/35/456077635.db2.gz RDLGGPKIHKRNOP-ZIAGYGMSSA-N -1 3 344.242 3.207 20 10 EGCDHM CCc1cnc(CNCc2cc(Br)ccc2[O-])s1 ZINC000230706927 456140025 /nfs/dbraw/zinc/14/00/25/456140025.db2.gz DVYBEZAGGADVSS-UHFFFAOYSA-N -1 3 327.247 3.463 20 10 EGCDHM COc1ccccc1[C@H](NCc1cc(F)ccc1[O-])c1noc(C)n1 ZINC000180755201 455240003 /nfs/dbraw/zinc/24/00/03/455240003.db2.gz XNQABXFCDVQGFJ-KRWDZBQOSA-N -1 3 343.358 3.111 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1cccnc1 ZINC000075416855 453891344 /nfs/dbraw/zinc/89/13/44/453891344.db2.gz JCHXDBYRHAZFNN-UHFFFAOYSA-N -1 3 349.228 3.141 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@H]1CCCO1 ZINC000075417017 453891369 /nfs/dbraw/zinc/89/13/69/453891369.db2.gz DRQDXZDYAVVSGN-CYBMUJFWSA-N -1 3 342.233 3.072 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCCc3c2cnn3C)c1[O-] ZINC000135648616 454696168 /nfs/dbraw/zinc/69/61/68/454696168.db2.gz NRXWLPKTEUORIX-INIZCTEOSA-N -1 3 347.846 3.491 20 10 EGCDHM C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000109771288 454835874 /nfs/dbraw/zinc/83/58/74/454835874.db2.gz OHZUNJVENCOLDF-ZIAGYGMSSA-N -1 3 330.403 3.229 20 10 EGCDHM COC(=O)CCCc1nnc(NCc2c([O-])cccc2Cl)s1 ZINC000126030163 454864524 /nfs/dbraw/zinc/86/45/24/454864524.db2.gz XFSXYMQRLIUEJD-UHFFFAOYSA-N -1 3 341.820 3.005 20 10 EGCDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000170860337 454989395 /nfs/dbraw/zinc/98/93/95/454989395.db2.gz PTIHSEMOTAZXOU-UHFFFAOYSA-N -1 3 340.423 3.360 20 10 EGCDHM O=C(CC1CCN(Cc2cccc(Cl)c2[O-])CC1)N1CCCC1 ZINC000179782305 455078405 /nfs/dbraw/zinc/07/84/05/455078405.db2.gz PYXMGCKWHWKYIT-UHFFFAOYSA-N -1 3 336.863 3.270 20 10 EGCDHM COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182520358 455531846 /nfs/dbraw/zinc/53/18/46/455531846.db2.gz TVADDYQHPWMEGA-ZDUSSCGKSA-N -1 3 329.396 3.118 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3ncc[nH]3)C2)c1[O-] ZINC000267371413 455548425 /nfs/dbraw/zinc/54/84/25/455548425.db2.gz KNFIOTFLAHJEHJ-LBPRGKRZSA-N -1 3 333.819 3.351 20 10 EGCDHM O=C1[N-]C(=O)c2cc(NCc3ccc(N4CCCCC4)cc3)ccc21 ZINC000284085386 455633691 /nfs/dbraw/zinc/63/36/91/455633691.db2.gz VISXSMUUXUYRMT-UHFFFAOYSA-N -1 3 335.407 3.173 20 10 EGCDHM C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(F)cc1[O-] ZINC000186022556 455677995 /nfs/dbraw/zinc/67/79/95/455677995.db2.gz MSAKHFUZAZPWQN-ABAIWWIYSA-N -1 3 332.350 3.127 20 10 EGCDHM C[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(F)cc1[O-] ZINC000186022515 455678264 /nfs/dbraw/zinc/67/82/64/455678264.db2.gz MSAKHFUZAZPWQN-IAQYHMDHSA-N -1 3 332.350 3.127 20 10 EGCDHM C[C@@H](NCc1cccnc1OCC(F)F)c1ccc(F)cc1[O-] ZINC000186199184 455715065 /nfs/dbraw/zinc/71/50/65/455715065.db2.gz KXSZCVBEMXLAID-SNVBAGLBSA-N -1 3 326.318 3.421 20 10 EGCDHM CCNC(=O)COc1ccc(N[C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000186263469 455728571 /nfs/dbraw/zinc/72/85/71/455728571.db2.gz LPVQUJVSVQFWCP-GFCCVEGCSA-N -1 3 332.375 3.219 20 10 EGCDHM CCCc1nc(C)c(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])o1 ZINC000293235204 455779681 /nfs/dbraw/zinc/77/96/81/455779681.db2.gz AZQXGDXGDPGTJG-NSHDSACASA-N -1 3 332.400 3.279 20 10 EGCDHM COc1c([O-])c(CNc2ccc([C@@H]3CCOC3)cc2)ccc1[N+](=O)[O-] ZINC000293652103 455793933 /nfs/dbraw/zinc/79/39/33/455793933.db2.gz NBHRMXIDQBSSLM-CQSZACIVSA-N -1 3 344.367 3.425 20 10 EGCDHM COc1c([O-])c(CN[C@H](C)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000278827031 455849212 /nfs/dbraw/zinc/84/92/12/455849212.db2.gz IGHHMYUROWKICI-SECBINFHSA-N -1 3 338.310 3.438 20 10 EGCDHM COc1c([O-])c(CN[C@@H]2CCCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000278897265 455852574 /nfs/dbraw/zinc/85/25/74/455852574.db2.gz QOEFMAAZQPIQLP-CQSZACIVSA-N -1 3 344.367 3.313 20 10 EGCDHM CN(C)c1cccc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])c1 ZINC000187108015 455870629 /nfs/dbraw/zinc/87/06/29/455870629.db2.gz NUAUZLLMMRRDGY-MRXNPFEDSA-N -1 3 326.396 3.141 20 10 EGCDHM CC[C@@H](CO)NC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000280603521 456010825 /nfs/dbraw/zinc/01/08/25/456010825.db2.gz COVLPFOAYRNYHG-ZDUSSCGKSA-N -1 3 348.830 3.158 20 10 EGCDHM COc1ccccc1[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272794996 456072567 /nfs/dbraw/zinc/07/25/67/456072567.db2.gz XLTXXIREEIJAID-ZDUSSCGKSA-N -1 3 327.380 3.045 20 10 EGCDHM C[C@H](NCc1cc(-c2ccccc2)ccc1[O-])c1nnc2n1CCC2 ZINC000263680527 456191428 /nfs/dbraw/zinc/19/14/28/456191428.db2.gz MKCSHQGMCOLBDY-AWEZNQCLSA-N -1 3 334.423 3.448 20 10 EGCDHM COc1ccc([C@@H](CCO)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273512977 456236722 /nfs/dbraw/zinc/23/67/22/456236722.db2.gz RZLZEYXFNXAKQD-SJKOYZFVSA-N -1 3 346.383 3.083 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OC)cc2OC)c1 ZINC000273519065 456236750 /nfs/dbraw/zinc/23/67/50/456236750.db2.gz SZGRTXIZFPKSRG-NSHDSACASA-N -1 3 331.368 3.369 20 10 EGCDHM CCc1noc(CC)c1CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273591904 456239360 /nfs/dbraw/zinc/23/93/60/456239360.db2.gz PLHPILFRDMLXES-LLVKDONJSA-N -1 3 332.400 3.142 20 10 EGCDHM CC(C)S(=O)(=O)CCN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000290392849 456314348 /nfs/dbraw/zinc/31/43/48/456314348.db2.gz SIHDQMJVOCQVOX-SECBINFHSA-N -1 3 340.272 3.173 20 10 EGCDHM CCCCN(Cc1nnnn1-c1ccccc1)Cc1ccccc1[O-] ZINC000282503618 456534649 /nfs/dbraw/zinc/53/46/49/456534649.db2.gz RELVYWNAHVLGSC-UHFFFAOYSA-N -1 3 337.427 3.170 20 10 EGCDHM [O-]c1ccccc1CN1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000276797874 456583010 /nfs/dbraw/zinc/58/30/10/456583010.db2.gz GCFGMVRWRAXSQR-INIZCTEOSA-N -1 3 343.427 3.396 20 10 EGCDHM NC(=O)c1ccc(NCc2cc(F)ccc2[O-])cc1N1CCCCC1 ZINC000282842968 456641801 /nfs/dbraw/zinc/64/18/01/456641801.db2.gz CTYKAJSKXSPCIK-UHFFFAOYSA-N -1 3 343.402 3.233 20 10 EGCDHM C[C@H]1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC[S@@]1=O ZINC000277447500 456829367 /nfs/dbraw/zinc/82/93/67/456829367.db2.gz JRCMPJISYAKXAX-WNSKOXEYSA-N -1 3 329.465 3.402 20 10 EGCDHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(N(C)C)cc2)c1 ZINC000277541848 456856683 /nfs/dbraw/zinc/85/66/83/456856683.db2.gz ZQXNWJJGYQHTBO-SFHVURJKSA-N -1 3 328.412 3.067 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3ccnn3C)C2)c1[O-] ZINC000370207581 457585061 /nfs/dbraw/zinc/58/50/61/457585061.db2.gz VYMLFXKFDVQGOP-CYBMUJFWSA-N -1 3 347.846 3.361 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cn(C)nc2C)c1[O-] ZINC000370404584 457640187 /nfs/dbraw/zinc/64/01/87/457640187.db2.gz GAVFTDSGDYIZRO-QGZVFWFLSA-N -1 3 331.391 3.113 20 10 EGCDHM Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CCOCC2)c([O-])c1O ZINC000368056746 458007874 /nfs/dbraw/zinc/00/78/74/458007874.db2.gz HWACZZPAEVSEAN-QGZVFWFLSA-N -1 3 341.407 3.304 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H]2Nc3ccc(Cl)cc3C(=O)N2C)c1 ZINC000726796991 574572006 /nfs/dbraw/zinc/57/20/06/574572006.db2.gz NXOWXVSODRATOE-HNNXBMFYSA-N -1 3 346.770 3.029 20 10 EGCDHM O=C(C1CC1)N1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000728299094 574736580 /nfs/dbraw/zinc/73/65/80/574736580.db2.gz ARSHJLMZVOZXGX-UHFFFAOYSA-N -1 3 336.435 3.113 20 10 EGCDHM O=C(NCCc1ccc(Br)cc1)c1cc([O-])cs1 ZINC000735327276 575644422 /nfs/dbraw/zinc/64/44/22/575644422.db2.gz XRYWOEFMIDUKLK-UHFFFAOYSA-N -1 3 326.215 3.189 20 10 EGCDHM CCC[C@@H](NC(=O)CN(C)Cc1ccccc1[O-])c1ccccc1 ZINC000732203304 575244227 /nfs/dbraw/zinc/24/42/27/575244227.db2.gz WMWHWOSENDGUNI-GOSISDBHSA-N -1 3 326.440 3.482 20 10 EGCDHM CCOc1cc(CNC(=O)c2cc([O-])cs2)ccc1OC(F)F ZINC000732273546 575252329 /nfs/dbraw/zinc/25/23/29/575252329.db2.gz YIBMWXGWCMKAHR-UHFFFAOYSA-N -1 3 343.351 3.384 20 10 EGCDHM O=C(NCCc1cc(Br)ccc1F)c1cc([O-])cs1 ZINC000732277060 575253205 /nfs/dbraw/zinc/25/32/05/575253205.db2.gz CWLXADGMMPIRFM-UHFFFAOYSA-N -1 3 344.205 3.328 20 10 EGCDHM CCc1cc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)ncn1 ZINC000733191976 575319193 /nfs/dbraw/zinc/31/91/93/575319193.db2.gz VBFSBJCKBWNTFH-MRXNPFEDSA-N -1 3 346.862 3.475 20 10 EGCDHM Cc1cccc(C)c1OC[C@@H](O)CNCc1c([O-])cccc1Cl ZINC000733325534 575327698 /nfs/dbraw/zinc/32/76/98/575327698.db2.gz IXWOQNRBESDUQU-AWEZNQCLSA-N -1 3 335.831 3.192 20 10 EGCDHM O=C([O-])CC[N@H+](Cc1ccncc1)Cc1c([O-])ccc2ccccc21 ZINC000833234070 601561098 /nfs/dbraw/zinc/56/10/98/601561098.db2.gz KYPDTARIPAVRIE-UHFFFAOYSA-N -1 3 336.391 3.417 20 10 EGCDHM O=C([O-])CC[N@@H+](Cc1ccncc1)Cc1c([O-])ccc2ccccc21 ZINC000833234070 601561100 /nfs/dbraw/zinc/56/11/00/601561100.db2.gz KYPDTARIPAVRIE-UHFFFAOYSA-N -1 3 336.391 3.417 20 10 EGCDHM Oc1ccccc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826511096 608376955 /nfs/dbraw/zinc/37/69/55/608376955.db2.gz BTUBRLHNXDXXGA-UHFFFAOYSA-N -1 3 335.289 3.203 20 10 EGCDHM Oc1ccccc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826511096 608376957 /nfs/dbraw/zinc/37/69/57/608376957.db2.gz BTUBRLHNXDXXGA-UHFFFAOYSA-N -1 3 335.289 3.203 20 10 EGCDHM COC[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715738271 1298286176 /nfs/dbraw/zinc/28/61/76/1298286176.db2.gz OEILNICPGAAISI-JTQLQIEISA-N -1 3 332.213 3.152 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCN(C)c3ccccc3C2)c1[O-] ZINC000748049592 1298918504 /nfs/dbraw/zinc/91/85/04/1298918504.db2.gz KKWVOZGCNRXKDG-UHFFFAOYSA-N -1 3 328.387 3.186 20 10 EGCDHM COc1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])cc1OC ZINC000750820420 1299458398 /nfs/dbraw/zinc/45/83/98/1299458398.db2.gz RSSVWEBILSBKBE-UHFFFAOYSA-N -1 3 347.386 3.383 20 10 EGCDHM Cc1cc(CN[C@H](C)c2cc(Br)c(F)cc2[O-])ncn1 ZINC000756776463 1300565575 /nfs/dbraw/zinc/56/55/75/1300565575.db2.gz PJBKXVGMPVUQKS-SECBINFHSA-N -1 3 340.196 3.243 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc3c(c2)ncn3C)c1 ZINC000757610825 1300694296 /nfs/dbraw/zinc/69/42/96/1300694296.db2.gz IJXQBTOKKUWYID-NSHDSACASA-N -1 3 325.368 3.239 20 10 EGCDHM COc1cc2c(cc1CNCc1cc(F)cc(F)c1[O-])O[C@@H](C)C2 ZINC000882886893 1302148829 /nfs/dbraw/zinc/14/88/29/1302148829.db2.gz QTOHFVJVSYBMCS-JTQLQIEISA-N -1 3 335.350 3.292 20 10 EGCDHM COc1c([O-])c(CN(Cc2ccc(C)o2)C2CC2)ccc1[N+](=O)[O-] ZINC000774837670 1303865678 /nfs/dbraw/zinc/86/56/78/1303865678.db2.gz QEPRKLKQERHCEH-UHFFFAOYSA-N -1 3 332.356 3.375 20 10 EGCDHM COc1c([O-])c(CNc2ccc(OCC(C)C)nc2)ccc1[N+](=O)[O-] ZINC000775035142 1303892966 /nfs/dbraw/zinc/89/29/66/1303892966.db2.gz VNXIFVNNWFHXNG-UHFFFAOYSA-N -1 3 347.371 3.351 20 10 EGCDHM COc1c([O-])c(CNc2cccc3ccncc32)ccc1[N+](=O)[O-] ZINC000775051781 1303896173 /nfs/dbraw/zinc/89/61/73/1303896173.db2.gz QHBMFGNNUVQULC-UHFFFAOYSA-N -1 3 325.324 3.469 20 10 EGCDHM CCOC(=O)N(C)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775679134 1304013048 /nfs/dbraw/zinc/01/30/48/1304013048.db2.gz NTXDAHNWFJEJQH-UHFFFAOYSA-N -1 3 344.814 3.237 20 10 EGCDHM CC[C@@H](CNC(=O)c1cccc(O)c1[O-])Oc1ccccc1Cl ZINC000776667797 1304182032 /nfs/dbraw/zinc/18/20/32/1304182032.db2.gz CABLFGNYRNZHFO-NSHDSACASA-N -1 3 335.787 3.339 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)c([O-])c1O ZINC000780991212 1304758273 /nfs/dbraw/zinc/75/82/73/1304758273.db2.gz FBFCVUOZCZYPCJ-UHFFFAOYSA-N -1 3 333.294 3.403 20 10 EGCDHM COC(=O)[C@@H]1CCCCCN1Cc1cc(Br)ccc1[O-] ZINC000781528646 1304839101 /nfs/dbraw/zinc/83/91/01/1304839101.db2.gz ZTIRKKPLQJATLJ-ZDUSSCGKSA-N -1 3 342.233 3.072 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](O)Cc3ccccc32)c1[O-] ZINC000789352800 1306145936 /nfs/dbraw/zinc/14/59/36/1306145936.db2.gz GTIVNOSZAZOCFI-OAHLLOKOSA-N -1 3 331.799 3.172 20 10 EGCDHM COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cc(F)ccc1[O-] ZINC000789777117 1306214966 /nfs/dbraw/zinc/21/49/66/1306214966.db2.gz VWGCVEIVFGYPOR-IRXDYDNUSA-N -1 3 329.371 3.410 20 10 EGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000790417089 1306322439 /nfs/dbraw/zinc/32/24/39/1306322439.db2.gz HBACPXBQCCAWBX-UHFFFAOYSA-N -1 3 341.816 3.417 20 10 EGCDHM COc1cc([C@H](C)NC(=O)c2cccc(O)c2[O-])ccc1OC(C)C ZINC000790531020 1306345299 /nfs/dbraw/zinc/34/52/99/1306345299.db2.gz RBBBWYASAZPOOR-LBPRGKRZSA-N -1 3 345.395 3.385 20 10 EGCDHM CCCOc1ccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1OC ZINC000790539740 1306348759 /nfs/dbraw/zinc/34/87/59/1306348759.db2.gz SHRCGTUYIYHDCC-GFCCVEGCSA-N -1 3 345.395 3.386 20 10 EGCDHM Cc1ccc(N(C)[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000790927611 1308890397 /nfs/dbraw/zinc/89/03/97/1308890397.db2.gz LTXBZARMTOPCDY-MRXNPFEDSA-N -1 3 340.423 3.147 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000792167760 1309134757 /nfs/dbraw/zinc/13/47/57/1309134757.db2.gz QLBKESOYQROZGB-JOYOIKCWSA-N -1 3 327.705 3.072 20 10 EGCDHM CC[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(F)cc1[O-] ZINC000796877684 1310104237 /nfs/dbraw/zinc/10/42/37/1310104237.db2.gz CFENGCSYYQUOOK-CQSZACIVSA-N -1 3 329.375 3.285 20 10 EGCDHM CC(C)(C)CCOc1cnccc1CNC(=O)c1cccc(O)c1[O-] ZINC000807892140 1317599198 /nfs/dbraw/zinc/59/91/98/1317599198.db2.gz GXAOBJOEHNNUKA-UHFFFAOYSA-N -1 3 344.411 3.238 20 10 EGCDHM CC(C)CNC(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816483754 1319163424 /nfs/dbraw/zinc/16/34/24/1319163424.db2.gz CSRARCXYJPTUDJ-UHFFFAOYSA-N -1 3 342.842 3.169 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000824473984 1320260541 /nfs/dbraw/zinc/26/05/41/1320260541.db2.gz HLBDMSYOCCVBLE-UHFFFAOYSA-N -1 3 344.842 3.312 20 10 EGCDHM Cc1cc(C)nc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)n1 ZINC000825485420 1320342439 /nfs/dbraw/zinc/34/24/39/1320342439.db2.gz YQJCIVXMAHCUJE-UHFFFAOYSA-N -1 3 346.862 3.083 20 10 EGCDHM CN(C)c1ccc(CN2CCC[C@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000840997596 1321196717 /nfs/dbraw/zinc/19/67/17/1321196717.db2.gz PCTZCOWUADNLNH-LBPRGKRZSA-N -1 3 330.350 3.068 20 10 EGCDHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(OC)c(C)c2)c1 ZINC000841796514 1321313514 /nfs/dbraw/zinc/31/35/14/1321313514.db2.gz PNDPIYQQXHOTIO-KRWDZBQOSA-N -1 3 329.396 3.318 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@H](C)CO)CC2)c1[O-] ZINC000844416425 1321603919 /nfs/dbraw/zinc/60/39/19/1321603919.db2.gz OXLJSGXWLNPFEN-LLVKDONJSA-N -1 3 325.836 3.089 20 10 EGCDHM CC[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1cc(Cl)ccc1[O-] ZINC000848556725 1321975519 /nfs/dbraw/zinc/97/55/19/1321975519.db2.gz CPQYGHUJDQXYKO-OCCSQVGLSA-N -1 3 336.823 3.256 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CCc3ccccc3O2)CC1 ZINC000856175494 1325459986 /nfs/dbraw/zinc/45/99/86/1325459986.db2.gz AXGIODFPDBWRAW-UHFFFAOYSA-N -1 3 339.391 3.098 20 10 EGCDHM COc1c([O-])c(CN2CC(C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000857057853 1325564117 /nfs/dbraw/zinc/56/41/17/1325564117.db2.gz FVDSGHYAEKMENB-UHFFFAOYSA-N -1 3 328.368 3.083 20 10 EGCDHM CC(C)(C)NC(=O)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001202482614 1369786013 /nfs/dbraw/zinc/78/60/13/1369786013.db2.gz CYRHZBMNTKTVHV-UHFFFAOYSA-N -1 3 338.363 3.088 20 10 EGCDHM O=C1CCc2c1c(-c1noc(-c3cccc(O)c3[O-])n1)ccc2F ZINC001215145723 1373178085 /nfs/dbraw/zinc/17/80/85/1373178085.db2.gz FJMGDPNVSKFOGP-UHFFFAOYSA-N -1 3 326.283 3.083 20 10 EGCDHM C[C@@H](Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)c1cnccn1 ZINC001226382438 1375249743 /nfs/dbraw/zinc/24/97/43/1375249743.db2.gz BUQDZDGXLOIGSQ-LLVKDONJSA-N -1 3 346.342 3.098 20 10 EGCDHM O=C1CCCC[C@H]1Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226386104 1375250198 /nfs/dbraw/zinc/25/01/98/1375250198.db2.gz XSELZNYJPGYDOB-OAHLLOKOSA-N -1 3 336.343 3.058 20 10 EGCDHM COc1ccccc1[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231559684 1376264328 /nfs/dbraw/zinc/26/43/28/1376264328.db2.gz IIWRRHJTOUEGHL-AWEZNQCLSA-N -1 3 327.380 3.089 20 10 EGCDHM COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231559684 1376264333 /nfs/dbraw/zinc/26/43/33/1376264333.db2.gz IIWRRHJTOUEGHL-AWEZNQCLSA-N -1 3 327.380 3.089 20 10 EGCDHM [O-]c1c(CN2CCc3cc(CO)ccc3C2)cccc1C(F)(F)F ZINC001233415688 1376641504 /nfs/dbraw/zinc/64/15/04/1376641504.db2.gz FSSBDFYOMQECHO-UHFFFAOYSA-N -1 3 337.341 3.462 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])cccc2F)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001137838984 1377626869 /nfs/dbraw/zinc/62/68/69/1377626869.db2.gz MULABMFOTFVMMZ-BETUJISGSA-N -1 3 338.423 3.361 20 10 EGCDHM [O-]c1cccc(F)c1CN1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001137839520 1377627023 /nfs/dbraw/zinc/62/70/23/1377627023.db2.gz BEOMITCIJDJEGV-UHFFFAOYSA-N -1 3 337.782 3.018 20 10 EGCDHM [O-]c1c(F)cccc1CN1CCN(c2nc3ccccc3s2)CC1 ZINC001138127957 1377681708 /nfs/dbraw/zinc/68/17/08/1377681708.db2.gz ZFQSZPGAITXSSN-UHFFFAOYSA-N -1 3 343.427 3.463 20 10 EGCDHM CC(C)(C)OC(=O)C[C@H]1CCCN1Cc1c(F)ccc(F)c1[O-] ZINC001139687254 1377934784 /nfs/dbraw/zinc/93/47/84/1377934784.db2.gz JYNZECYXJRZNNB-LLVKDONJSA-N -1 3 327.371 3.367 20 10 EGCDHM CCOC[C@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2cn(CC)nc21 ZINC001140465582 1378068345 /nfs/dbraw/zinc/06/83/45/1378068345.db2.gz QLOPYLVPWGRRJF-OAHLLOKOSA-N -1 3 349.862 3.398 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])cc(F)cc2F)CCN1Cc1ccccc1 ZINC001140584250 1378090639 /nfs/dbraw/zinc/09/06/39/1378090639.db2.gz KMEGATXGENXDFT-AWEZNQCLSA-N -1 3 332.394 3.377 20 10 EGCDHM O=C(c1ccccc1)N1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527593 1378454486 /nfs/dbraw/zinc/45/44/86/1378454486.db2.gz ZZFAGVZNQNMSPG-UHFFFAOYSA-N -1 3 346.377 3.019 20 10 EGCDHM CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530412 1378454666 /nfs/dbraw/zinc/45/46/66/1378454666.db2.gz HDDFGQDURYAMPJ-NSHDSACASA-N -1 3 327.371 3.224 20 10 EGCDHM O=C(NCc1cc(OC(F)(F)F)ccc1F)c1cccc(O)c1[O-] ZINC001148220156 1379134677 /nfs/dbraw/zinc/13/46/77/1379134677.db2.gz UIWYVOKZZVBWAE-UHFFFAOYSA-N -1 3 345.248 3.066 20 10 EGCDHM COCCC1(CNC(=O)c2cccc(O)c2[O-])CCC(F)(F)CC1 ZINC001148224349 1379135367 /nfs/dbraw/zinc/13/53/67/1379135367.db2.gz ICJUJVSAKRVBMN-UHFFFAOYSA-N -1 3 343.370 3.060 20 10 EGCDHM O=C(Nc1c(Cl)ccc2ncccc21)c1cc(O)c([O-])c(O)c1 ZINC001148587363 1379218460 /nfs/dbraw/zinc/21/84/60/1379218460.db2.gz HXBMULPQGJKZED-UHFFFAOYSA-N -1 3 330.727 3.257 20 10 EGCDHM [O-]c1c(CNc2cnc3cc[nH]c3n2)cc(Cl)c2cccnc12 ZINC001157723780 1381015089 /nfs/dbraw/zinc/01/50/89/1381015089.db2.gz CNZMZGZMZVQNFB-UHFFFAOYSA-N -1 3 325.759 3.477 20 10 EGCDHM NC(=S)c1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168521808 1383929120 /nfs/dbraw/zinc/92/91/20/1383929120.db2.gz LFEGIAITSFJAKT-UHFFFAOYSA-N -1 3 344.827 3.235 20 10 EGCDHM [O-]c1c(CNc2ccc3c(n2)NCCO3)cc(Cl)c2cccnc12 ZINC001168525617 1383930692 /nfs/dbraw/zinc/93/06/92/1383930692.db2.gz HTFVRPBTKWTJDE-UHFFFAOYSA-N -1 3 342.786 3.405 20 10 EGCDHM C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC000859816140 955914832 /nfs/dbraw/zinc/91/48/32/955914832.db2.gz XXOSWBAAONDWDZ-BXUZGUMPSA-N -1 3 344.377 3.314 20 10 EGCDHM C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239325 994422108 /nfs/dbraw/zinc/42/21/08/994422108.db2.gz DNJWADUWNYYPEB-ADLMAVQZSA-N -1 3 349.814 3.302 20 10 EGCDHM C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593295224 994689482 /nfs/dbraw/zinc/68/94/82/994689482.db2.gz CWPCRKZTUUKMCL-GFCCVEGCSA-N -1 3 329.396 3.169 20 10 EGCDHM COc1ccc(CN[C@H](C)c2ccc(OCC(=O)[O-])cc2)cc1C ZINC001599571004 998364769 /nfs/dbraw/zinc/36/47/69/998364769.db2.gz GVGSVJYJZBSDRE-CQSZACIVSA-N -1 3 329.396 3.318 20 10 EGCDHM O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1cccc(O)c1[O-] ZINC000193150722 240038663 /nfs/dbraw/zinc/03/86/63/240038663.db2.gz YERNHXRMSBNORC-QGZVFWFLSA-N -1 3 338.338 3.151 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285305951 455822026 /nfs/dbraw/zinc/82/20/26/455822026.db2.gz WDWBSIJVWCTYPP-HIFRSBDPSA-N -1 3 326.234 3.298 20 10 EGCDHM NC(=O)[C@H](NCc1cc(-c2ccccc2)ccc1[O-])c1ccccc1 ZINC000071792508 454217858 /nfs/dbraw/zinc/21/78/58/454217858.db2.gz PPHHKRWBTWXSGY-HXUWFJFHSA-N -1 3 332.403 3.375 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCCN(Cc2cscn2)CC1 ZINC000131078029 454234211 /nfs/dbraw/zinc/23/42/11/454234211.db2.gz LSBWPRLGPVKWOU-UHFFFAOYSA-N -1 3 337.876 3.210 20 10 EGCDHM COc1ccc(OC)c2c1CN(Cc1c([O-])cccc1Cl)C[C@@H]2O ZINC000121106745 454391919 /nfs/dbraw/zinc/39/19/19/454391919.db2.gz LAKXBRWQUVAXIH-HNNXBMFYSA-N -1 3 349.814 3.112 20 10 EGCDHM Cc1[nH]ccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134267338 454521943 /nfs/dbraw/zinc/52/19/43/454521943.db2.gz ICJFRGOPASBEHG-OAHLLOKOSA-N -1 3 347.846 3.077 20 10 EGCDHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093420544 454714618 /nfs/dbraw/zinc/71/46/18/454714618.db2.gz PWJPEJVRQIEQEL-HUUCEWRRSA-N -1 3 347.480 3.313 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000093842708 454739050 /nfs/dbraw/zinc/73/90/50/454739050.db2.gz LEQDIPSUNXKXIP-UHFFFAOYSA-N -1 3 340.814 3.320 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(n3ccnc3)CC2)c1[O-] ZINC000177157397 454830741 /nfs/dbraw/zinc/83/07/41/454830741.db2.gz OQHKECAWNZTERB-UHFFFAOYSA-N -1 3 333.819 3.282 20 10 EGCDHM CC(=O)c1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000109773541 454837553 /nfs/dbraw/zinc/83/75/53/454837553.db2.gz IKRXHIVUDGIFRD-CYBMUJFWSA-N -1 3 326.396 3.054 20 10 EGCDHM COc1ncccc1CN[C@H](C)c1ccc(Br)cc1[O-] ZINC000184985411 455481655 /nfs/dbraw/zinc/48/16/55/455481655.db2.gz ZVFKRUIQCOJBOI-SNVBAGLBSA-N -1 3 337.217 3.409 20 10 EGCDHM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(C)c(O)c1[O-])CCC2 ZINC000179492778 455052138 /nfs/dbraw/zinc/05/21/38/455052138.db2.gz RKQVUTROJKFQBS-ZDUSSCGKSA-N -1 3 332.425 3.321 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(C)(C)COC ZINC000156883222 455155153 /nfs/dbraw/zinc/15/51/53/455155153.db2.gz BMOIZLYDCOQHID-UHFFFAOYSA-N -1 3 344.249 3.176 20 10 EGCDHM O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc([O-])c(F)c1 ZINC000172549199 455161122 /nfs/dbraw/zinc/16/11/22/455161122.db2.gz CQWZXHBRHWDYMD-UHFFFAOYSA-N -1 3 343.402 3.131 20 10 EGCDHM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000189494438 455207748 /nfs/dbraw/zinc/20/77/48/455207748.db2.gz ATSXXPNCDKNEFA-HXUWFJFHSA-N -1 3 343.423 3.210 20 10 EGCDHM Cc1ccc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)c([O-])c1O ZINC000181823551 455385752 /nfs/dbraw/zinc/38/57/52/455385752.db2.gz BSDCOLKCMIRIBU-UHFFFAOYSA-N -1 3 325.364 3.041 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC1CCC1 ZINC000266900065 455471544 /nfs/dbraw/zinc/47/15/44/455471544.db2.gz XCSMZEXLBJQQGE-UHFFFAOYSA-N -1 3 327.222 3.239 20 10 EGCDHM C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CC[S@](=O)C1 ZINC000277569228 455601097 /nfs/dbraw/zinc/60/10/97/455601097.db2.gz SMLLWYOSWKZCJL-CMJOXMDJSA-N -1 3 329.465 3.260 20 10 EGCDHM C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1ccc(F)cc1[O-] ZINC000186263692 455728365 /nfs/dbraw/zinc/72/83/65/455728365.db2.gz LIVBSNAIFUFABK-GFCCVEGCSA-N -1 3 332.375 3.171 20 10 EGCDHM C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1cc(F)ccc1[O-] ZINC000186264059 455728729 /nfs/dbraw/zinc/72/87/29/455728729.db2.gz XAIUTAFTXMWXHP-LBPRGKRZSA-N -1 3 332.375 3.171 20 10 EGCDHM COCCCCN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000192990314 455731016 /nfs/dbraw/zinc/73/10/16/455731016.db2.gz OPYRZYDDVLLGBS-UHFFFAOYSA-N -1 3 329.396 3.167 20 10 EGCDHM COc1c([O-])c(CN(C)Cc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000278245126 455796509 /nfs/dbraw/zinc/79/65/09/455796509.db2.gz OOKMQDBTCOKMFX-UHFFFAOYSA-N -1 3 338.310 3.219 20 10 EGCDHM [O-]c1ccccc1CN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000280411792 455967094 /nfs/dbraw/zinc/96/70/94/455967094.db2.gz YOOKJLBXYRHQLT-CYBMUJFWSA-N -1 3 327.302 3.114 20 10 EGCDHM CCOc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000188090989 455995873 /nfs/dbraw/zinc/99/58/73/455995873.db2.gz RRPRZFWLCCWWQX-MRXNPFEDSA-N -1 3 327.380 3.474 20 10 EGCDHM [O-]c1cccc(Cl)c1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000288515003 456098184 /nfs/dbraw/zinc/09/81/84/456098184.db2.gz UBRJVOHBAAZMTI-ZDUSSCGKSA-N -1 3 348.830 3.146 20 10 EGCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000273049486 456159553 /nfs/dbraw/zinc/15/95/53/456159553.db2.gz YDTNPEIPYDDVEB-BUBHHJDNSA-N -1 3 349.427 3.322 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(OC)ccc2OC)c1 ZINC000273361272 456225002 /nfs/dbraw/zinc/22/50/02/456225002.db2.gz DASFAOLHVWIFKS-GFCCVEGCSA-N -1 3 345.395 3.047 20 10 EGCDHM C[C@@H](NCc1cccc2c1OCCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273495051 456234525 /nfs/dbraw/zinc/23/45/25/456234525.db2.gz PAUDBGNGKPIRJH-GFCCVEGCSA-N -1 3 344.367 3.313 20 10 EGCDHM C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Cl)ccc1[O-] ZINC000273489438 456234614 /nfs/dbraw/zinc/23/46/14/456234614.db2.gz OAUOLOSIMRZBPI-DYVFJYSZSA-N -1 3 344.842 3.497 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(C)cc2OC)c1 ZINC000273585210 456238581 /nfs/dbraw/zinc/23/85/81/456238581.db2.gz NQINPSDQRQGTGS-ZDUSSCGKSA-N -1 3 329.396 3.347 20 10 EGCDHM CCCOc1ccc(CN[C@H](C)c2noc(COC(C)C)n2)c([O-])c1 ZINC000290892903 456459504 /nfs/dbraw/zinc/45/95/04/456459504.db2.gz LLCQJVFAOBMJEO-CYBMUJFWSA-N -1 3 349.431 3.340 20 10 EGCDHM Cc1cc[nH]c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000373898431 457390176 /nfs/dbraw/zinc/39/01/76/457390176.db2.gz FSSDQOUIORCYJA-OAHLLOKOSA-N -1 3 347.846 3.077 20 10 EGCDHM CCCCn1nnnc1CN(Cc1ccccc1[O-])C1CCCC1 ZINC000731847794 575212374 /nfs/dbraw/zinc/21/23/74/575212374.db2.gz OMOCEXDUALMSBB-UHFFFAOYSA-N -1 3 329.448 3.124 20 10 EGCDHM O=C(Nc1ccc(CNC(=O)c2cc([O-])cs2)cc1)c1ccco1 ZINC000731871152 575213879 /nfs/dbraw/zinc/21/38/79/575213879.db2.gz FDPHJNFSERIYEL-UHFFFAOYSA-N -1 3 342.376 3.229 20 10 EGCDHM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000731871522 575214278 /nfs/dbraw/zinc/21/42/78/575214278.db2.gz HMWORYXHTWNBNG-LLVKDONJSA-N -1 3 332.425 3.368 20 10 EGCDHM COc1ccc(C(C)(C)CNC(=O)c2cc([O-])cs2)cc1OC ZINC000732289757 575255766 /nfs/dbraw/zinc/25/57/66/575255766.db2.gz WQXHSIUJQDXZRV-UHFFFAOYSA-N -1 3 335.425 3.179 20 10 EGCDHM COc1ccccc1NC(=O)[C@H](OC(=O)c1cc([O-])cs1)C(C)C ZINC000732352957 575261405 /nfs/dbraw/zinc/26/14/05/575261405.db2.gz ISVBRLPOZUVZOL-OAHLLOKOSA-N -1 3 349.408 3.282 20 10 EGCDHM Cc1cccc(C)c1OC[C@H](O)CNCc1c([O-])cccc1Cl ZINC000733325535 575327816 /nfs/dbraw/zinc/32/78/16/575327816.db2.gz IXWOQNRBESDUQU-CQSZACIVSA-N -1 3 335.831 3.192 20 10 EGCDHM Cc1ccc(F)c(N2CCC[C@H](N(C)Cc3ccccc3[O-])C2=O)c1 ZINC000735670812 575697800 /nfs/dbraw/zinc/69/78/00/575697800.db2.gz UHDCUMICBISUKE-KRWDZBQOSA-N -1 3 342.414 3.467 20 10 EGCDHM c1cc(NCc2ccc(N3CCCCC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000378932315 609472033 /nfs/dbraw/zinc/47/20/33/609472033.db2.gz ZCTFJHXZFLOWAO-UHFFFAOYSA-N -1 3 334.427 3.469 20 10 EGCDHM c1cc(NCc2ccc(N3CCCCC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000378932315 609472034 /nfs/dbraw/zinc/47/20/34/609472034.db2.gz ZCTFJHXZFLOWAO-UHFFFAOYSA-N -1 3 334.427 3.469 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2C(=O)OC(C)(C)C)c1[O-] ZINC000178345650 1294729630 /nfs/dbraw/zinc/72/96/30/1294729630.db2.gz OHVAUGZZFDBEIY-HNNXBMFYSA-N -1 3 337.391 3.040 20 10 EGCDHM [O-]c1c(Br)cccc1CNCc1nc2c(s1)CCC2 ZINC000719553363 1298322402 /nfs/dbraw/zinc/32/24/02/1298322402.db2.gz BZGMNCLGIKMGGC-UHFFFAOYSA-N -1 3 339.258 3.390 20 10 EGCDHM COc1c([O-])c(CNc2ccc(N(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000877773828 1299548761 /nfs/dbraw/zinc/54/87/61/1299548761.db2.gz ZITXZLFDTSENQK-UHFFFAOYSA-N -1 3 335.335 3.126 20 10 EGCDHM Cc1ccc2c(c1)N[C@@H](c1c([O-])cccc1Br)NC2=O ZINC000877865681 1299616008 /nfs/dbraw/zinc/61/60/08/1299616008.db2.gz HFKNMRGUMQYPLD-CQSZACIVSA-N -1 3 333.185 3.317 20 10 EGCDHM COC(=O)COc1ccc(N(C)Cc2c([O-])cccc2Cl)cc1 ZINC000753592453 1299983749 /nfs/dbraw/zinc/98/37/49/1299983749.db2.gz YNYNVUOERRPOOM-UHFFFAOYSA-N -1 3 335.787 3.234 20 10 EGCDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccccc32)[C@H]2CCCC[C@@H]21 ZINC000754011731 1300063695 /nfs/dbraw/zinc/06/36/95/1300063695.db2.gz KWOQIOMLLQCCCZ-HKUYNNGSSA-N -1 3 345.464 3.087 20 10 EGCDHM CCCN(CC(=O)OC(C)(C)C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000755317306 1300320290 /nfs/dbraw/zinc/32/02/90/1300320290.db2.gz SLNXEOWCEZCQIO-UHFFFAOYSA-N -1 3 339.407 3.288 20 10 EGCDHM C[C@H](NCc1ccnc(N(C)C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756789685 1300567333 /nfs/dbraw/zinc/56/73/33/1300567333.db2.gz HZBFJXYUCKCSAZ-VIFPVBQESA-N -1 3 341.242 3.406 20 10 EGCDHM Cc1ccc(CN2CC[C@@H](N[C@@H](C)c3c([O-])cccc3F)C2=O)cc1 ZINC000886598601 1303517347 /nfs/dbraw/zinc/51/73/47/1303517347.db2.gz GCWIHFIVSUNWGJ-WMLDXEAASA-N -1 3 342.414 3.291 20 10 EGCDHM COc1c([O-])c(CNCc2ccc([C@@H]3C[C@H]3C)o2)ccc1[N+](=O)[O-] ZINC000774974979 1303884875 /nfs/dbraw/zinc/88/48/75/1303884875.db2.gz GPTQVDHYDYELKS-ZWNOBZJWSA-N -1 3 332.356 3.315 20 10 EGCDHM O=C(CNCc1cc(Cl)cc(F)c1[O-])N1CCCc2ccccc21 ZINC000776078093 1304091066 /nfs/dbraw/zinc/09/10/66/1304091066.db2.gz ZMQRHRZZBZSUQC-UHFFFAOYSA-N -1 3 348.805 3.254 20 10 EGCDHM CC(C)N1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1=O ZINC000779881776 1304618632 /nfs/dbraw/zinc/61/86/32/1304618632.db2.gz CVEJLERCEUIJKX-UHFFFAOYSA-N -1 3 338.407 3.344 20 10 EGCDHM Cc1ccc(C(=O)Nc2cccc(SC(=O)N(C)C)c2)c([O-])c1O ZINC000780935283 1304753743 /nfs/dbraw/zinc/75/37/43/1304753743.db2.gz RWNQSCTZZJVZRW-UHFFFAOYSA-N -1 3 346.408 3.432 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CC(OCc2cccc3ccccc32)C1 ZINC000790813217 1308868307 /nfs/dbraw/zinc/86/83/07/1308868307.db2.gz PQAKOEMNUFJVIV-UHFFFAOYSA-N -1 3 349.386 3.292 20 10 EGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(OC(F)(F)F)c1 ZINC000790876092 1308879169 /nfs/dbraw/zinc/87/91/69/1308879169.db2.gz XWIUITLMYDEKNN-SECBINFHSA-N -1 3 341.285 3.487 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](COc2ccccc2)C1 ZINC000792187883 1309140290 /nfs/dbraw/zinc/14/02/90/1309140290.db2.gz MTSKWHQEDAUDRM-OAHLLOKOSA-N -1 3 333.815 3.325 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(CN(C)C)c(Cl)c2)c([O-])c1O ZINC000794231562 1309490441 /nfs/dbraw/zinc/49/04/41/1309490441.db2.gz FHUZUTJLKQOKMQ-UHFFFAOYSA-N -1 3 334.803 3.374 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697492 1317865777 /nfs/dbraw/zinc/86/57/77/1317865777.db2.gz HWWITKSXIRVOEE-PSASIEDQSA-N -1 3 341.732 3.177 20 10 EGCDHM CN(C)C(=O)OC[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000809709366 1317870595 /nfs/dbraw/zinc/87/05/95/1317870595.db2.gz QODYZBPMVCZDKX-ZDUSSCGKSA-N -1 3 326.824 3.098 20 10 EGCDHM C[C@@H](O)c1ncc(CNCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000809775556 1317897676 /nfs/dbraw/zinc/89/76/76/1317897676.db2.gz DNQKHIDLPSSERS-SSDOTTSWSA-N -1 3 333.240 3.499 20 10 EGCDHM CN(C)C(=O)c1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000809776043 1317897731 /nfs/dbraw/zinc/89/77/31/1317897731.db2.gz RCGQBNOEDNMEGV-UHFFFAOYSA-N -1 3 342.226 3.019 20 10 EGCDHM CCOCc1nc([C@@H](C)NCc2cc(Cl)c(C)cc2[O-])no1 ZINC000825948891 1320374661 /nfs/dbraw/zinc/37/46/61/1320374661.db2.gz MILWVNLUSAHRMS-SNVBAGLBSA-N -1 3 325.796 3.124 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN2CC3(C2)CCOCC3)c1 ZINC000839141566 1320878299 /nfs/dbraw/zinc/87/82/99/1320878299.db2.gz STIPYGMGCYDZAH-UHFFFAOYSA-N -1 3 326.234 3.076 20 10 EGCDHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1[O-] ZINC000839728807 1320969563 /nfs/dbraw/zinc/96/95/63/1320969563.db2.gz OTWCZYKHUJPZGO-LBPRGKRZSA-N -1 3 326.396 3.152 20 10 EGCDHM CN(Cc1c([O-])cccc1Br)[C@H](CO)c1ccccc1 ZINC000862384312 1329480839 /nfs/dbraw/zinc/48/08/39/1329480839.db2.gz UZIHWRHPODMIPT-OAHLLOKOSA-N -1 3 336.229 3.320 20 10 EGCDHM C[C@]1(O)CCCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233027044 1376557433 /nfs/dbraw/zinc/55/74/33/1376557433.db2.gz KQZLRKALWJJPQC-AWEZNQCLSA-N -1 3 332.213 3.031 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCCC[C@H]1CO ZINC001184167650 1387407622 /nfs/dbraw/zinc/40/76/22/1387407622.db2.gz XUQJPEDHVPNIEB-WCQYABFASA-N -1 3 348.830 3.009 20 10 EGCDHM O=S(=O)([N-]Cc1cc2ccccc2cc1O)c1cnccc1Cl ZINC001192922003 1367904487 /nfs/dbraw/zinc/90/44/87/1367904487.db2.gz WHFUXVZXKYHMBJ-UHFFFAOYSA-N -1 3 348.811 3.072 20 10 EGCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(Oc2ccncc2)cc1 ZINC001201589747 1369584380 /nfs/dbraw/zinc/58/43/80/1369584380.db2.gz QVMVUHJOPJWXKY-UHFFFAOYSA-N -1 3 342.376 3.380 20 10 EGCDHM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC001187422147 1388105122 /nfs/dbraw/zinc/10/51/22/1388105122.db2.gz IHVXCILSKJYDTR-UHFFFAOYSA-N -1 3 349.408 3.145 20 10 EGCDHM COc1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c(Cl)c1 ZINC001215325550 1373197698 /nfs/dbraw/zinc/19/76/98/1373197698.db2.gz YSJXZKAXBBMRQA-UHFFFAOYSA-N -1 3 334.715 3.182 20 10 EGCDHM O=C1CCCc2cc(-c3noc(-c4ccc(O)c(O)c4[O-])n3)ccc21 ZINC001215325451 1373198095 /nfs/dbraw/zinc/19/80/95/1373198095.db2.gz UKGRTLMWEZTVNT-UHFFFAOYSA-N -1 3 338.319 3.039 20 10 EGCDHM O=C1CCCc2cc(-c3noc(-c4ccc(O)c([O-])c4O)n3)ccc21 ZINC001215325451 1373198099 /nfs/dbraw/zinc/19/80/99/1373198099.db2.gz UKGRTLMWEZTVNT-UHFFFAOYSA-N -1 3 338.319 3.039 20 10 EGCDHM COC1(c2ccccc2)CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231454909 1376245206 /nfs/dbraw/zinc/24/52/06/1376245206.db2.gz KFAMDAHDVCNJNX-UHFFFAOYSA-N -1 3 341.407 3.228 20 10 EGCDHM COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])c1 ZINC001231455747 1376245964 /nfs/dbraw/zinc/24/59/64/1376245964.db2.gz UZJXCQICSCIXGW-QGZVFWFLSA-N -1 3 327.380 3.436 20 10 EGCDHM COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])c1 ZINC001231455747 1376245971 /nfs/dbraw/zinc/24/59/71/1376245971.db2.gz UZJXCQICSCIXGW-QGZVFWFLSA-N -1 3 327.380 3.436 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C2)cc1Cl ZINC001231872272 1376332897 /nfs/dbraw/zinc/33/28/97/1376332897.db2.gz YAPPKJRFXSXFHR-UHFFFAOYSA-N -1 3 326.824 3.364 20 10 EGCDHM COc1cc([O-])c(CN2CCc3nc(C4CC4)ncc3C2)cc1Cl ZINC001232269198 1376428201 /nfs/dbraw/zinc/42/82/01/1376428201.db2.gz SQVSGWXNJLTNQS-UHFFFAOYSA-N -1 3 345.830 3.280 20 10 EGCDHM [O-]c1c(Br)cc(F)cc1CN1CCC2(CCCO2)CC1 ZINC001235304548 1376867295 /nfs/dbraw/zinc/86/72/95/1376867295.db2.gz ZCEVAAUOAIQPDW-UHFFFAOYSA-N -1 3 344.224 3.439 20 10 EGCDHM CCC(=O)N(C)C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237802679 1376987870 /nfs/dbraw/zinc/98/78/70/1376987870.db2.gz NXPSNZZYGRFFGD-UHFFFAOYSA-N -1 3 328.815 3.018 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCN(c2ncccc2Cl)CC1 ZINC001140341465 1378048772 /nfs/dbraw/zinc/04/87/72/1378048772.db2.gz PLKKNDUEUIVQGL-UHFFFAOYSA-N -1 3 338.238 3.416 20 10 EGCDHM O=C1N(CC2CCCC2)CC[C@]12CCCN2Cc1cccc(F)c1[O-] ZINC001273304275 1378096011 /nfs/dbraw/zinc/09/60/11/1378096011.db2.gz LRBLWGGZEZATGS-HXUWFJFHSA-N -1 3 346.446 3.288 20 10 EGCDHM C[C@@](O)(C1CCN(Cc2cc(F)c(F)cc2[O-])CC1)C(F)(F)F ZINC001142527438 1378453319 /nfs/dbraw/zinc/45/33/19/1378453319.db2.gz UWOSTUPZNKNGBR-CQSZACIVSA-N -1 3 339.304 3.196 20 10 EGCDHM CCCc1noc(C2CCN(Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001142527530 1378454479 /nfs/dbraw/zinc/45/44/79/1378454479.db2.gz YAMAIWFPFAXQBJ-UHFFFAOYSA-N -1 3 337.370 3.386 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@]2(CCCO2)C1 ZINC001144298938 1378713036 /nfs/dbraw/zinc/71/30/36/1378713036.db2.gz MGDZXRFOCKQQCT-CQSZACIVSA-N -1 3 330.197 3.049 20 10 EGCDHM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(O)c([O-])c(O)c1 ZINC001148587080 1379218870 /nfs/dbraw/zinc/21/88/70/1379218870.db2.gz COKOWVZTCQKDKA-UHFFFAOYSA-N -1 3 345.685 3.311 20 10 EGCDHM NC(=O)Cc1ccccc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168526311 1383930271 /nfs/dbraw/zinc/93/02/71/1383930271.db2.gz VUHCRSZBBNPGPY-UHFFFAOYSA-N -1 3 341.798 3.234 20 10 EGCDHM C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824612053 946862137 /nfs/dbraw/zinc/86/21/37/946862137.db2.gz IJYSPSYSEURTMT-SECBINFHSA-N -1 3 347.781 3.216 20 10 EGCDHM C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824612053 946862148 /nfs/dbraw/zinc/86/21/48/946862148.db2.gz IJYSPSYSEURTMT-SECBINFHSA-N -1 3 347.781 3.216 20 10 EGCDHM COc1ccccc1C1(N[C@H](C)c2cc(C(=O)[O-])ccc2O)CC1 ZINC001599704258 991268842 /nfs/dbraw/zinc/26/88/42/991268842.db2.gz ONRGLXNICJVXFO-GFCCVEGCSA-N -1 3 327.380 3.439 20 10 EGCDHM Cc1c(NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])cccc1[N+](=O)[O-] ZINC000264755200 455277078 /nfs/dbraw/zinc/27/70/78/455277078.db2.gz XROAOTCBPKZZBA-ZDUSSCGKSA-N -1 3 343.383 3.068 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCc3c2cccc3O)c1[O-] ZINC000105486502 454641287 /nfs/dbraw/zinc/64/12/87/454641287.db2.gz MCVSDIZINABENH-CYBMUJFWSA-N -1 3 334.759 3.437 20 10 EGCDHM CC(C)N(CCS(C)(=O)=O)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093707714 454730300 /nfs/dbraw/zinc/73/03/00/454730300.db2.gz IFTQUVGNYNNDSA-UHFFFAOYSA-N -1 3 347.480 3.314 20 10 EGCDHM C[C@H](NC(=O)[C@H](C)N(C)Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000109771290 454835572 /nfs/dbraw/zinc/83/55/72/454835572.db2.gz OHZUNJVENCOLDF-KBPBESRZSA-N -1 3 330.403 3.229 20 10 EGCDHM COC[C@@H](C)n1c(C)cc(C(=O)CN(C)Cc2ccccc2[O-])c1C ZINC000111235724 454858759 /nfs/dbraw/zinc/85/87/59/454858759.db2.gz ZMPHALXMNMOTST-OAHLLOKOSA-N -1 3 344.455 3.333 20 10 EGCDHM Cc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)c([O-])c1O ZINC000179447301 455048721 /nfs/dbraw/zinc/04/87/21/455048721.db2.gz DHNPOQLIHOLOKP-GOSISDBHSA-N -1 3 348.402 3.453 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cccnc1-n1cccn1 ZINC000190750309 455377788 /nfs/dbraw/zinc/37/77/88/455377788.db2.gz MLPLQJRVYPWIAA-UHFFFAOYSA-N -1 3 332.766 3.055 20 10 EGCDHM Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c([O-])c1O ZINC000182477680 455521269 /nfs/dbraw/zinc/52/12/69/455521269.db2.gz IZUSDICTRYORSU-CQSZACIVSA-N -1 3 329.371 3.250 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000271334198 455602167 /nfs/dbraw/zinc/60/21/67/455602167.db2.gz NQDZJZGNJZLPMX-KXBFYZLASA-N -1 3 347.842 3.370 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(Oc2ccccc2Cl)CC1 ZINC000185888313 455643279 /nfs/dbraw/zinc/64/32/79/455643279.db2.gz HUXACQJJDVXPES-UHFFFAOYSA-N -1 3 347.798 3.435 20 10 EGCDHM CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192993043 455731896 /nfs/dbraw/zinc/73/18/96/455731896.db2.gz CTLCXAYOCNLMBZ-IUCAKERBSA-N -1 3 340.272 3.173 20 10 EGCDHM CCN(Cc1conc1C)Cc1cc(Br)ccc1[O-] ZINC000293777468 455797203 /nfs/dbraw/zinc/79/72/03/455797203.db2.gz AURRSUFTLMDBLI-UHFFFAOYSA-N -1 3 325.206 3.473 20 10 EGCDHM CC(C)(C)n1cc(CNCc2cccc(Br)c2[O-])cn1 ZINC000278413440 455834995 /nfs/dbraw/zinc/83/49/95/455834995.db2.gz QKDWJHSCVOAMIT-UHFFFAOYSA-N -1 3 338.249 3.396 20 10 EGCDHM CCCOc1ccc(CNCc2ncc(C(F)(F)F)cn2)c([O-])c1 ZINC000295117517 455838901 /nfs/dbraw/zinc/83/89/01/455838901.db2.gz WXMJKYVIFQNVEM-UHFFFAOYSA-N -1 3 341.333 3.280 20 10 EGCDHM Cc1ccnc(-c2n[nH]c([C@H](C)N[C@H](C)c3ccc(F)cc3[O-])n2)c1 ZINC000279163085 455858929 /nfs/dbraw/zinc/85/89/29/455858929.db2.gz BQCUNJGRUJCLDQ-NEPJUHHUSA-N -1 3 341.390 3.432 20 10 EGCDHM CC[C@@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1ccc(F)cc1[O-] ZINC000286075855 455972603 /nfs/dbraw/zinc/97/26/03/455972603.db2.gz MCPSUUXWLFLYMJ-QGZVFWFLSA-N -1 3 346.402 3.098 20 10 EGCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000273049482 456159538 /nfs/dbraw/zinc/15/95/38/456159538.db2.gz YDTNPEIPYDDVEB-APXPCNQMSA-N -1 3 349.427 3.322 20 10 EGCDHM CN(Cc1nccn1C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000273782003 456244806 /nfs/dbraw/zinc/24/48/06/456244806.db2.gz STDLTQASKAJQRF-UHFFFAOYSA-N -1 3 337.423 3.337 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@](C)(CC)OC ZINC000281574661 456269014 /nfs/dbraw/zinc/26/90/14/456269014.db2.gz VVYPESSSTOUNNN-HNNXBMFYSA-N -1 3 344.249 3.318 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN[C@]2(CO)CCc3ccccc32)c1[O-] ZINC000305712350 456551403 /nfs/dbraw/zinc/55/14/03/456551403.db2.gz FUFMMGGMXBGJKE-IBGZPJMESA-N -1 3 345.826 3.172 20 10 EGCDHM C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276933968 456624112 /nfs/dbraw/zinc/62/41/12/456624112.db2.gz OSSXUTMVWUPEPW-WBMJQRKESA-N -1 3 346.377 3.122 20 10 EGCDHM C[C@@H](c1ccccc1)N(Cc1nnnn1C1CC1)Cc1ccccc1[O-] ZINC000299671334 456761052 /nfs/dbraw/zinc/76/10/52/456761052.db2.gz PIIZDQYTKAJACC-HNNXBMFYSA-N -1 3 349.438 3.477 20 10 EGCDHM Cc1ccc(C(=O)N2CCC3(CC2)OCc2ccccc23)c([O-])c1O ZINC000378567202 457410227 /nfs/dbraw/zinc/41/02/27/457410227.db2.gz ULCIKVMWHFMHCY-UHFFFAOYSA-N -1 3 339.391 3.068 20 10 EGCDHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc([O-])cs2)c1C ZINC000731910850 575218683 /nfs/dbraw/zinc/21/86/83/575218683.db2.gz VMJDQEOILGUZKT-JTQLQIEISA-N -1 3 335.381 3.029 20 10 EGCDHM CCOC(=O)C[C@H](NC(=O)c1cc([O-])cs1)c1ccc(F)cc1 ZINC000732277468 575253121 /nfs/dbraw/zinc/25/31/21/575253121.db2.gz NJZCXUUBGKRVMZ-ZDUSSCGKSA-N -1 3 337.372 3.017 20 10 EGCDHM O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732283334 575254529 /nfs/dbraw/zinc/25/45/29/575254529.db2.gz HHVVBPJFZFWOIO-UHFFFAOYSA-N -1 3 348.399 3.084 20 10 EGCDHM O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc([O-])cs1 ZINC000732290866 575255864 /nfs/dbraw/zinc/25/58/64/575255864.db2.gz FWXSBQGHYGWZTQ-UHFFFAOYSA-N -1 3 340.408 3.301 20 10 EGCDHM CC(C)[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000732354528 575261955 /nfs/dbraw/zinc/26/19/55/575261955.db2.gz UGOSLBJQSAZTGV-LALPHHSUSA-N -1 3 339.457 3.140 20 10 EGCDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000736591823 575988023 /nfs/dbraw/zinc/98/80/23/575988023.db2.gz BAKNQDHKOXVYBC-FPJCUDJDSA-N -1 3 347.480 3.359 20 10 EGCDHM CC[C@@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H](C)O1 ZINC000736945440 576064114 /nfs/dbraw/zinc/06/41/14/576064114.db2.gz XUIBNMQNMWDWDD-GXTWGEPZSA-N -1 3 329.396 3.243 20 10 EGCDHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([O-])cs1 ZINC000740939846 576638361 /nfs/dbraw/zinc/63/83/61/576638361.db2.gz LURMPFODXZUCFU-AWEZNQCLSA-N -1 3 330.453 3.190 20 10 EGCDHM CCNC(=O)COc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000742367915 576774168 /nfs/dbraw/zinc/77/41/68/576774168.db2.gz QYDWAXZISVKCHC-UHFFFAOYSA-N -1 3 334.803 3.173 20 10 EGCDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(Cl)ccc1O ZINC000825632478 609477528 /nfs/dbraw/zinc/47/75/28/609477528.db2.gz UGRQSFUZYAPJHO-UHFFFAOYSA-N -1 3 345.790 3.237 20 10 EGCDHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1 ZINC000029046075 1291321157 /nfs/dbraw/zinc/32/11/57/1291321157.db2.gz BONBIUABVKDFDL-UHFFFAOYSA-N -1 3 335.381 3.005 20 10 EGCDHM Cc1ncccc1NC(=O)[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000835069867 1293198935 /nfs/dbraw/zinc/19/89/35/1293198935.db2.gz DZQKZJTZCVWZFM-JTQLQIEISA-N -1 3 337.782 3.005 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN(CCO)Cc2ccccc2)c1[O-] ZINC000122142490 1293402230 /nfs/dbraw/zinc/40/22/30/1293402230.db2.gz KQRHMQTXPGFNRH-UHFFFAOYSA-N -1 3 333.815 3.243 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccnn2CCc2ccccc2)c([O-])c1O ZINC000177677866 1294686788 /nfs/dbraw/zinc/68/67/88/1294686788.db2.gz VXAZWAKWNRBIKC-UHFFFAOYSA-N -1 3 337.379 3.098 20 10 EGCDHM CC(=O)c1ccc(N2CCN(Cc3cc(F)ccc3[O-])CC2)c(F)c1 ZINC000179892116 1294837896 /nfs/dbraw/zinc/83/78/96/1294837896.db2.gz UAAWYRRMPIOSKS-UHFFFAOYSA-N -1 3 346.377 3.195 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c([O-])c1O ZINC000751535246 1299565590 /nfs/dbraw/zinc/56/55/90/1299565590.db2.gz OVCPHKZIPBETOQ-OAHLLOKOSA-N -1 3 343.379 3.216 20 10 EGCDHM CN1c2ccccc2C(=O)N[C@H]1c1ccc(Br)cc1[O-] ZINC000877842518 1299606945 /nfs/dbraw/zinc/60/69/45/1299606945.db2.gz HYSWVXGQOVPCLM-CQSZACIVSA-N -1 3 333.185 3.033 20 10 EGCDHM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000760144604 1301227205 /nfs/dbraw/zinc/22/72/05/1301227205.db2.gz XJPZGVPJZXSBQJ-GFCCVEGCSA-N -1 3 343.379 3.010 20 10 EGCDHM [O-]c1c(Br)cccc1CNc1cc(NCC2CC2)ncn1 ZINC000764933013 1302170590 /nfs/dbraw/zinc/17/05/90/1302170590.db2.gz BCMRIUOHUKAKKE-UHFFFAOYSA-N -1 3 349.232 3.379 20 10 EGCDHM CC[C@H](Nc1cccc2c1N(C)C(=O)CO2)c1ccc(F)cc1[O-] ZINC000883398470 1302431359 /nfs/dbraw/zinc/43/13/59/1302431359.db2.gz NMSIIPLWLKBKAX-ZDUSSCGKSA-N -1 3 330.359 3.450 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CC(c3nc4ccccc4[nH]3)C2)c1[O-] ZINC000766938703 1302551964 /nfs/dbraw/zinc/55/19/64/1302551964.db2.gz DMBPEJYWBFSBGD-UHFFFAOYSA-N -1 3 339.370 3.210 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCn2c(cc3c2cccc3Cl)C1 ZINC000772943164 1303596281 /nfs/dbraw/zinc/59/62/81/1303596281.db2.gz FYUQSTZWZPYDRU-UHFFFAOYSA-N -1 3 342.782 3.362 20 10 EGCDHM C[C@@H](N[C@H](CCO)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000886802075 1303603729 /nfs/dbraw/zinc/60/37/29/1303603729.db2.gz YHZIMDVGSZHGLJ-RDDDGLTNSA-N -1 3 342.155 3.119 20 10 EGCDHM COc1ccc(N(CCC[N-]C(=O)C(F)(F)F)CC(C)C)cc1 ZINC000774663678 1303845023 /nfs/dbraw/zinc/84/50/23/1303845023.db2.gz KDTRNSLTLVEYFP-UHFFFAOYSA-N -1 3 332.366 3.226 20 10 EGCDHM COc1c([O-])c(CNc2cccc(-n3ccnc3)c2)ccc1[N+](=O)[O-] ZINC000774821784 1303863812 /nfs/dbraw/zinc/86/38/12/1303863812.db2.gz TVOZJAIPBCZSQC-UHFFFAOYSA-N -1 3 340.339 3.107 20 10 EGCDHM O=C(NCCCO[C@H]1CCCc2ccccc21)c1cccc(O)c1[O-] ZINC000776348741 1304138022 /nfs/dbraw/zinc/13/80/22/1304138022.db2.gz DRBIBMHUCLZDDM-SFHVURJKSA-N -1 3 341.407 3.312 20 10 EGCDHM CC(C)c1nc([C@@H]2COCCN2Cc2cc(Cl)ccc2[O-])no1 ZINC000779617000 1304587748 /nfs/dbraw/zinc/58/77/48/1304587748.db2.gz XZLFIWMPVHTJAR-ZDUSSCGKSA-N -1 3 337.807 3.126 20 10 EGCDHM Cc1ccc(C(=O)Nc2cccc(Oc3cccnn3)c2)c([O-])c1O ZINC000780951232 1304754328 /nfs/dbraw/zinc/75/43/28/1304754328.db2.gz QVTYGFJELWVLAS-UHFFFAOYSA-N -1 3 337.335 3.241 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@@H](CCO)C1 ZINC000894004510 1306173825 /nfs/dbraw/zinc/17/38/25/1306173825.db2.gz SFPNDGIYXQFPSJ-JTQLQIEISA-N -1 3 348.668 3.403 20 10 EGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000790411670 1306320421 /nfs/dbraw/zinc/32/04/21/1306320421.db2.gz LUSDUVBPAMGBKB-UHFFFAOYSA-N -1 3 328.393 3.304 20 10 EGCDHM COc1cc([C@@H](C)NC(=O)c2cccc(O)c2[O-])ccc1OC(C)C ZINC000790531019 1306345467 /nfs/dbraw/zinc/34/54/67/1306345467.db2.gz RBBBWYASAZPOOR-GFCCVEGCSA-N -1 3 345.395 3.385 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000790531982 1306346203 /nfs/dbraw/zinc/34/62/03/1306346203.db2.gz KFRYKERATLIYKD-ZDUSSCGKSA-N -1 3 347.798 3.435 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cnn(CC(F)(F)F)c1 ZINC000790977377 1308901483 /nfs/dbraw/zinc/90/14/83/1308901483.db2.gz IZWTYZIZQWWQMI-UHFFFAOYSA-N -1 3 337.704 3.233 20 10 EGCDHM Cc1cc([O-])c(CN2CCC[C@@H]2C(=O)NCc2ccco2)cc1Cl ZINC000824555269 1320264818 /nfs/dbraw/zinc/26/48/18/1320264818.db2.gz CZWKIFTUABAJFD-MRXNPFEDSA-N -1 3 348.830 3.228 20 10 EGCDHM CN(Cc1nccn1C(F)F)Cc1ccc(Br)cc1[O-] ZINC000824566541 1320265931 /nfs/dbraw/zinc/26/59/31/1320265931.db2.gz NAWAPPFCQSRVDY-UHFFFAOYSA-N -1 3 346.175 3.378 20 10 EGCDHM CCc1nc(CNCc2cc(C)cc(Br)c2[O-])co1 ZINC000825056211 1320306657 /nfs/dbraw/zinc/30/66/57/1320306657.db2.gz DUQSNTNVGBPVHX-UHFFFAOYSA-N -1 3 325.206 3.303 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000817881702 1319452376 /nfs/dbraw/zinc/45/23/76/1319452376.db2.gz MTNLIZCQRVIYIE-CABZTGNLSA-N -1 3 342.233 3.006 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000817881702 1319452380 /nfs/dbraw/zinc/45/23/80/1319452380.db2.gz MTNLIZCQRVIYIE-CABZTGNLSA-N -1 3 342.233 3.006 20 10 EGCDHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc(OC)c(OC)c1 ZINC000838877531 1320828781 /nfs/dbraw/zinc/82/87/81/1320828781.db2.gz BQIIKVTXGIGLML-UHFFFAOYSA-N -1 3 329.400 3.103 20 10 EGCDHM O=C1CCCN1[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000840974800 1321192523 /nfs/dbraw/zinc/19/25/23/1321192523.db2.gz OXTKDGHXZLSBHQ-LBPRGKRZSA-N -1 3 340.826 3.162 20 10 EGCDHM CCOCc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)ccc1OC ZINC000841799026 1321314412 /nfs/dbraw/zinc/31/44/12/1321314412.db2.gz MIWFVINXTQBHLK-MRXNPFEDSA-N -1 3 335.425 3.209 20 10 EGCDHM O=C(N[C@H](c1ccccc1)C1(CO)CCCC1)c1cccc(O)c1[O-] ZINC000855117572 1325347729 /nfs/dbraw/zinc/34/77/29/1325347729.db2.gz XOOBOYGXOXEAKD-GOSISDBHSA-N -1 3 341.407 3.122 20 10 EGCDHM O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)c1cccc(O)c1[O-] ZINC000855204002 1325363796 /nfs/dbraw/zinc/36/37/96/1325363796.db2.gz KVKCKLRGXHIMOZ-LBPRGKRZSA-N -1 3 346.814 3.008 20 10 EGCDHM COc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1F ZINC000855742191 1325412345 /nfs/dbraw/zinc/41/23/45/1325412345.db2.gz JWXGWGVCBSVADX-AWEZNQCLSA-N -1 3 331.343 3.223 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCc2ccccc2[C@@H]1CO ZINC000862245896 1329470536 /nfs/dbraw/zinc/47/05/36/1329470536.db2.gz AVRYUVTVSAGSNP-INIZCTEOSA-N -1 3 348.240 3.246 20 10 EGCDHM CCOCCN(C(=O)c1cccc(O)c1[O-])[C@H]1CCc2ccccc21 ZINC000863003562 1329522068 /nfs/dbraw/zinc/52/20/68/1329522068.db2.gz WVEXCUCMUPEZAB-KRWDZBQOSA-N -1 3 341.407 3.264 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])cc(Br)cc2F)CCC[C@@]1(C)O ZINC001233029126 1376556763 /nfs/dbraw/zinc/55/67/63/1376556763.db2.gz ZDUJBAMYKBKEBU-MEBBXXQBSA-N -1 3 346.240 3.277 20 10 EGCDHM O=C1CN(Cc2ccc3ccccc3c2[O-])CCN1c1ccccc1 ZINC001183397044 1387306572 /nfs/dbraw/zinc/30/65/72/1387306572.db2.gz WZVWHDCUNPNCQF-UHFFFAOYSA-N -1 3 332.403 3.394 20 10 EGCDHM O=C(Nc1c[nH]c(=O)c(C(F)(F)F)c1)c1ccc([O-])c(O)c1Cl ZINC001193219333 1367969464 /nfs/dbraw/zinc/96/94/64/1367969464.db2.gz FZLJNOMLSVRMAJ-UHFFFAOYSA-N -1 3 348.664 3.123 20 10 EGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001203651763 1370201090 /nfs/dbraw/zinc/20/10/90/1370201090.db2.gz UEHIYLWXKAMLNA-GFCCVEGCSA-N -1 3 340.851 3.487 20 10 EGCDHM CC(C)(C)Oc1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1 ZINC001116851544 1370987132 /nfs/dbraw/zinc/98/71/32/1370987132.db2.gz KBQZVXUSNYNXNC-UHFFFAOYSA-N -1 3 329.396 3.248 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001231868544 1376330838 /nfs/dbraw/zinc/33/08/38/1376330838.db2.gz HLRVXOMQJXBITH-UHFFFAOYSA-N -1 3 340.851 3.407 20 10 EGCDHM [O-]c1cc(O)c(CN2CCO[C@@H](COc3ccccc3)C2)cc1Cl ZINC001232262399 1376425826 /nfs/dbraw/zinc/42/58/26/1376425826.db2.gz FYUHLCPKBIIBGM-OAHLLOKOSA-N -1 3 349.814 3.031 20 10 EGCDHM COc1ccccc1N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232261187 1376426527 /nfs/dbraw/zinc/42/65/27/1376426527.db2.gz WJNOKSVNEPOYJK-UHFFFAOYSA-N -1 3 348.830 3.082 20 10 EGCDHM CCOC(=O)C1(C(C)C)CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335726 1376618095 /nfs/dbraw/zinc/61/80/95/1376618095.db2.gz IOKHMQWOUPOKFZ-UHFFFAOYSA-N -1 3 341.398 3.472 20 10 EGCDHM CN(CCCCNC(=O)OC(C)(C)C)Cc1c([O-])ccc(F)c1F ZINC001233335958 1376618974 /nfs/dbraw/zinc/61/89/74/1376618974.db2.gz SNFSLXUUMCGUCA-UHFFFAOYSA-N -1 3 344.402 3.407 20 10 EGCDHM Cc1cccc(OC2CCN(Cc3c([O-])ccc(F)c3F)CC2)n1 ZINC001233336581 1376621759 /nfs/dbraw/zinc/62/17/59/1376621759.db2.gz QXLRJQHDPKPDMX-UHFFFAOYSA-N -1 3 334.366 3.417 20 10 EGCDHM COc1c(OC(C)C)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234127687 1376772851 /nfs/dbraw/zinc/77/28/51/1376772851.db2.gz SXXPCVGHPCOBBB-UHFFFAOYSA-N -1 3 326.348 3.272 20 10 EGCDHM O=C1CCCCN1C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237805986 1376987246 /nfs/dbraw/zinc/98/72/46/1376987246.db2.gz QBXXAJVWQBPIFC-UHFFFAOYSA-N -1 3 340.826 3.162 20 10 EGCDHM CC(C)(C)OC(=O)C[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139687899 1377934890 /nfs/dbraw/zinc/93/48/90/1377934890.db2.gz UDNGKDQTHUNVLA-LLVKDONJSA-N -1 3 327.371 3.224 20 10 EGCDHM C[C@@H]1c2ncc(COCC3CC3)n2CCN1Cc1cc(F)ccc1[O-] ZINC001140053756 1377996531 /nfs/dbraw/zinc/99/65/31/1377996531.db2.gz BWZLHVZSEHFFCZ-CYBMUJFWSA-N -1 3 345.418 3.231 20 10 EGCDHM CCOC(=O)c1cc2c(s1)CCN(Cc1cc(F)ccc1[O-])C2 ZINC001140054979 1377996989 /nfs/dbraw/zinc/99/69/89/1377996989.db2.gz BWRWNIHIWJFSQE-UHFFFAOYSA-N -1 3 335.400 3.328 20 10 EGCDHM Cc1nc2c(s1)CN(Cc1c([O-])cccc1Br)CC2 ZINC001140100810 1378007828 /nfs/dbraw/zinc/00/78/28/1378007828.db2.gz BYDJQFHRXSCXTH-UHFFFAOYSA-N -1 3 339.258 3.478 20 10 EGCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Cl)Cc2cn(CC)nc21 ZINC001140340654 1378049126 /nfs/dbraw/zinc/04/91/26/1378049126.db2.gz ZBAJQYHZXHRHDF-AWEZNQCLSA-N -1 3 349.862 3.398 20 10 EGCDHM O=C1c2ccccc2[C@@H]2CN(Cc3ccc(Cl)cc3[O-])CCN12 ZINC001140462835 1378067469 /nfs/dbraw/zinc/06/74/69/1378067469.db2.gz LYTHXBBZENDLLE-INIZCTEOSA-N -1 3 328.799 3.058 20 10 EGCDHM [O-]c1cc(Cl)ccc1CN1CCN(c2ncccc2Cl)CC1 ZINC001140465366 1378067908 /nfs/dbraw/zinc/06/79/08/1378067908.db2.gz KREKSKBRTNJXDE-UHFFFAOYSA-N -1 3 338.238 3.416 20 10 EGCDHM CCOC[C@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2cnn(CC)c21 ZINC001140466421 1378068578 /nfs/dbraw/zinc/06/85/78/1378068578.db2.gz DPCWHEUBJWFYQU-OAHLLOKOSA-N -1 3 349.862 3.398 20 10 EGCDHM Cc1cccnc1O[C@@H]1CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140585588 1378090370 /nfs/dbraw/zinc/09/03/70/1378090370.db2.gz PBBZQXPFYHBRNJ-CQSZACIVSA-N -1 3 334.366 3.417 20 10 EGCDHM COC1(C)CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144298827 1378712863 /nfs/dbraw/zinc/71/28/63/1378712863.db2.gz KGBFKIQOGGFCFS-UHFFFAOYSA-N -1 3 332.213 3.295 20 10 EGCDHM O=C(Nc1ccc2nnc(-c3ccccc3)n2c1)c1cccc(O)c1[O-] ZINC001148212172 1379134416 /nfs/dbraw/zinc/13/44/16/1379134416.db2.gz PJUMUVWOQXPVBS-UHFFFAOYSA-N -1 3 346.346 3.060 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001148219190 1379135011 /nfs/dbraw/zinc/13/50/11/1379135011.db2.gz WHUBOBWPRJCXEQ-AWEZNQCLSA-N -1 3 333.334 3.363 20 10 EGCDHM COc1ccc(CC2(NC(=O)c3cccc(O)c3[O-])CCC2)cc1 ZINC001148224825 1379136211 /nfs/dbraw/zinc/13/62/11/1379136211.db2.gz WBOMRADZZIXJRL-UHFFFAOYSA-N -1 3 327.380 3.002 20 10 EGCDHM C[S@](=O)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168525346 1383929763 /nfs/dbraw/zinc/92/97/63/1383929763.db2.gz BEEKOYFDODWJOK-QHCPKHFHSA-N -1 3 347.827 3.338 20 10 EGCDHM CN(C)c1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000756378982 978699473 /nfs/dbraw/zinc/69/94/73/978699473.db2.gz JNDHTTWWNWIIDF-INIZCTEOSA-N -1 3 336.794 3.461 20 10 EGCDHM O=C([O-])[C@H](Cc1cc2ccccc2o1)[NH2+]Cc1cc(F)ccc1[O-] ZINC001601657431 1126223029 /nfs/dbraw/zinc/22/30/29/1126223029.db2.gz LXGXTBITDZNNQA-HNNXBMFYSA-N -1 3 329.327 3.063 20 10 EGCDHM Cc1ccoc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158096192 455268642 /nfs/dbraw/zinc/26/86/42/455268642.db2.gz IJJBGLXUZHRVEA-OAHLLOKOSA-N -1 3 348.830 3.341 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000092661793 454604941 /nfs/dbraw/zinc/60/49/41/454604941.db2.gz FEXJIMJHYBGLSU-MRXNPFEDSA-N -1 3 325.836 3.206 20 10 EGCDHM CCN(Cc1cccc(F)c1)C(=O)CN(C)Cc1ccccc1[O-] ZINC000109772428 454835714 /nfs/dbraw/zinc/83/57/14/454835714.db2.gz WNNGDDBDPMBXAK-UHFFFAOYSA-N -1 3 330.403 3.012 20 10 EGCDHM COCCCCN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182227592 455466145 /nfs/dbraw/zinc/46/61/45/455466145.db2.gz IVRPXGNFIDNPTQ-UHFFFAOYSA-N -1 3 343.423 3.475 20 10 EGCDHM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])C(=O)NCc1ccco1 ZINC000111398906 454863924 /nfs/dbraw/zinc/86/39/24/454863924.db2.gz WVUHKKNSRGTLIB-VIFPVBQESA-N -1 3 343.210 3.087 20 10 EGCDHM Cc1nnc(-c2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2)o1 ZINC000179520104 455055249 /nfs/dbraw/zinc/05/52/49/455055249.db2.gz SHJVBUXTCCNINO-UHFFFAOYSA-N -1 3 325.324 3.017 20 10 EGCDHM Cc1cccc(NC(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)c1 ZINC000180025540 455118787 /nfs/dbraw/zinc/11/87/87/455118787.db2.gz DNEOLWBMZUSFRA-UHFFFAOYSA-N -1 3 343.402 3.189 20 10 EGCDHM COc1cc(Cl)cc(CN2CCc3ccccc3[C@H]2CO)c1[O-] ZINC000184694811 455428985 /nfs/dbraw/zinc/42/89/85/455428985.db2.gz UGJLKMMLCZFLQJ-MRXNPFEDSA-N -1 3 333.815 3.146 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)c([O-])c1O ZINC000182408753 455508135 /nfs/dbraw/zinc/50/81/35/455508135.db2.gz CGUYCSIAGKKPBM-UHFFFAOYSA-N -1 3 342.395 3.105 20 10 EGCDHM COC(=O)C[C@](C)(NCc1cccc(Cl)c1[O-])c1ccncc1 ZINC000191904323 455529399 /nfs/dbraw/zinc/52/93/99/455529399.db2.gz ZOKCGUQSGZPJBN-KRWDZBQOSA-N -1 3 334.803 3.009 20 10 EGCDHM CN(Cc1ncnn1CC(F)F)Cc1c([O-])ccc2ccccc21 ZINC000278171450 455776543 /nfs/dbraw/zinc/77/65/43/455776543.db2.gz BEKIJRSZOJJTML-UHFFFAOYSA-N -1 3 332.354 3.034 20 10 EGCDHM COc1cc(N(C)Cc2c(F)ccc([O-])c2F)cc(OC)c1OC ZINC000293645857 455793592 /nfs/dbraw/zinc/79/35/92/455793592.db2.gz OHLBFBXLQRDUMS-UHFFFAOYSA-N -1 3 339.338 3.333 20 10 EGCDHM COc1c([O-])c(CNc2ccccc2OCCF)ccc1[N+](=O)[O-] ZINC000295172165 455842460 /nfs/dbraw/zinc/84/24/60/455842460.db2.gz UMGJKNNGPGITSX-UHFFFAOYSA-N -1 3 336.319 3.269 20 10 EGCDHM COc1c([O-])c(CNc2ccc(N(C)C)cc2C)ccc1[N+](=O)[O-] ZINC000278642917 455842854 /nfs/dbraw/zinc/84/28/54/455842854.db2.gz IDAODQDOSQFNAP-UHFFFAOYSA-N -1 3 331.372 3.296 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000186905896 455849378 /nfs/dbraw/zinc/84/93/78/455849378.db2.gz NFZIBMXBMXJEBT-GFCCVEGCSA-N -1 3 338.363 3.259 20 10 EGCDHM CC[C@@H](NCc1cccnc1N1CCOCC1)c1ccc(F)cc1[O-] ZINC000285602155 455879503 /nfs/dbraw/zinc/87/95/03/455879503.db2.gz JVWIZKBXCPVETI-QGZVFWFLSA-N -1 3 345.418 3.004 20 10 EGCDHM C[C@@H](NCc1nnc(C2CC2)[nH]1)c1ccc(Br)cc1[O-] ZINC000296269992 455896459 /nfs/dbraw/zinc/89/64/59/455896459.db2.gz DOXXAANGNQZYGE-MRVPVSSYSA-N -1 3 337.221 3.001 20 10 EGCDHM CC(C)OCCOCc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000280718516 456037229 /nfs/dbraw/zinc/03/72/29/456037229.db2.gz UGZZDSMDUWVOQW-UHFFFAOYSA-N -1 3 345.395 3.292 20 10 EGCDHM CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1c([O-])cccc1Cl ZINC000271198034 456169081 /nfs/dbraw/zinc/16/90/81/456169081.db2.gz OOBFUAPDZLOAGO-UHFFFAOYSA-N -1 3 339.844 3.081 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CCc3c2cccc3O)c1 ZINC000273363316 456225194 /nfs/dbraw/zinc/22/51/94/456225194.db2.gz AVODXYDNENQYSR-ZBEGNZNMSA-N -1 3 327.380 3.223 20 10 EGCDHM CCS(=O)(=O)c1c(Cl)cccc1CNCc1ccccc1[O-] ZINC000274627389 456263596 /nfs/dbraw/zinc/26/35/96/456263596.db2.gz UWJYJQPNHKJJPI-UHFFFAOYSA-N -1 3 339.844 3.129 20 10 EGCDHM C[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CCS1(=O)=O ZINC000277331392 456781781 /nfs/dbraw/zinc/78/17/81/456781781.db2.gz CRKBLGHEQVHTDC-OAHLLOKOSA-N -1 3 345.464 3.068 20 10 EGCDHM COc1cc(Br)cc(CN2CCCOC(C)(C)C2)c1[O-] ZINC000378345465 457391563 /nfs/dbraw/zinc/39/15/63/457391563.db2.gz KPZVOVWXNKPSLC-UHFFFAOYSA-N -1 3 344.249 3.164 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c([O-])c1O ZINC000370141379 457560777 /nfs/dbraw/zinc/56/07/77/457560777.db2.gz SAGDTAJMGCKLRW-HNNXBMFYSA-N -1 3 329.371 3.393 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3nccn3C)C2)c1[O-] ZINC000365665110 457769745 /nfs/dbraw/zinc/76/97/45/457769745.db2.gz OTRSQEXXBOGXKI-CYBMUJFWSA-N -1 3 347.846 3.361 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000377628613 458507779 /nfs/dbraw/zinc/50/77/79/458507779.db2.gz OEQUICCTXMEAMK-CYBMUJFWSA-N -1 3 341.732 3.464 20 10 EGCDHM Cc1cocc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000528858645 459815570 /nfs/dbraw/zinc/81/55/70/459815570.db2.gz ABQYRDNXYHLVAD-OAHLLOKOSA-N -1 3 348.830 3.341 20 10 EGCDHM O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cc([O-])cs1 ZINC000731863970 575213459 /nfs/dbraw/zinc/21/34/59/575213459.db2.gz HSBXQVVBSCFITJ-UHFFFAOYSA-N -1 3 339.800 3.198 20 10 EGCDHM O=C(CCCNC(=O)c1cc([O-])cs1)Nc1ccc(Cl)cc1 ZINC000731870100 575213761 /nfs/dbraw/zinc/21/37/61/575213761.db2.gz CBQSUGZCOIMKQF-UHFFFAOYSA-N -1 3 338.816 3.256 20 10 EGCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1cccc(Cl)c1 ZINC000731912179 575218779 /nfs/dbraw/zinc/21/87/79/575218779.db2.gz PWXLHMWRURWPKL-QMMMGPOBSA-N -1 3 325.773 3.291 20 10 EGCDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc([O-])cs1 ZINC000732263625 575250126 /nfs/dbraw/zinc/25/01/26/575250126.db2.gz IDWDSTYNQUXCCS-UHFFFAOYSA-N -1 3 326.761 3.288 20 10 EGCDHM CCOCCCn1c(NC(=O)c2cc([O-])cs2)nc2ccccc21 ZINC000732285138 575254986 /nfs/dbraw/zinc/25/49/86/575254986.db2.gz SYQQWLPFKJBPPQ-UHFFFAOYSA-N -1 3 345.424 3.482 20 10 EGCDHM O=C(COC(=O)c1cc([O-])cs1)Nc1cccc(C(F)(F)F)c1 ZINC000732354043 575261664 /nfs/dbraw/zinc/26/16/64/575261664.db2.gz YVCGWKFHYHVMQT-UHFFFAOYSA-N -1 3 345.298 3.268 20 10 EGCDHM CS(=O)(=O)Cc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000734160052 575449661 /nfs/dbraw/zinc/44/96/61/575449661.db2.gz LLMDDVZWAPYPPQ-UHFFFAOYSA-N -1 3 325.817 3.202 20 10 EGCDHM CCOc1ccc(N(C)Cc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736644217 575997662 /nfs/dbraw/zinc/99/76/62/575997662.db2.gz IADJFEYDVHWVTN-UHFFFAOYSA-N -1 3 327.363 3.041 20 10 EGCDHM CCOc1ccc(N(C)Cc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736644217 575997665 /nfs/dbraw/zinc/99/76/65/575997665.db2.gz IADJFEYDVHWVTN-UHFFFAOYSA-N -1 3 327.363 3.041 20 10 EGCDHM CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000740142222 576554001 /nfs/dbraw/zinc/55/40/01/576554001.db2.gz MRMUFSNMIMWELJ-UHFFFAOYSA-N -1 3 340.445 3.019 20 10 EGCDHM Fc1cc(-c2nnn[n-]2)ccc1COc1ccc(N2CCCC2)cc1 ZINC000822743755 606617681 /nfs/dbraw/zinc/61/76/81/606617681.db2.gz FLMGZHSOOTWJDA-UHFFFAOYSA-N -1 3 339.374 3.185 20 10 EGCDHM Fc1cc(-c2nn[n-]n2)ccc1COc1ccc(N2CCCC2)cc1 ZINC000822743755 606617682 /nfs/dbraw/zinc/61/76/82/606617682.db2.gz FLMGZHSOOTWJDA-UHFFFAOYSA-N -1 3 339.374 3.185 20 10 EGCDHM CC[C@@H](Nc1ccc(O[C@@H]2CC(=O)N2)cc1)c1ccc(F)cc1[O-] ZINC000834894293 1293166490 /nfs/dbraw/zinc/16/64/90/1293166490.db2.gz SCGBMFWFXCAVSV-CRAIPNDOSA-N -1 3 330.359 3.319 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000177248361 1294659882 /nfs/dbraw/zinc/65/98/82/1294659882.db2.gz BHRCOCGAKBRSNA-SFHVURJKSA-N -1 3 347.361 3.447 20 10 EGCDHM CCOC(=O)[C@@]1(NCc2cc(F)ccc2[O-])CCc2ccccc21 ZINC000877674077 1299470338 /nfs/dbraw/zinc/47/03/38/1299470338.db2.gz GWIGOODHWOEFPR-LJQANCHMSA-N -1 3 329.371 3.026 20 10 EGCDHM O=c1ccnc(C=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[n-]1 ZINC000764436883 1302062481 /nfs/dbraw/zinc/06/24/81/1302062481.db2.gz WMYWVFPZOSMBHH-FNORWQNLSA-N -1 3 326.356 3.251 20 10 EGCDHM C[C@@H](N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1c([O-])cccc1F ZINC000886627024 1303530619 /nfs/dbraw/zinc/53/06/19/1303530619.db2.gz RCLZUAGVMGDKDU-ABAIWWIYSA-N -1 3 332.350 3.127 20 10 EGCDHM COc1c([O-])c(CN2C[C@@H](C(F)(F)F)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775055209 1303896388 /nfs/dbraw/zinc/89/63/88/1303896388.db2.gz QWYSFPJXBGSRBD-ONGXEEELSA-N -1 3 348.321 3.472 20 10 EGCDHM NC(=O)c1ccc(CN(Cc2cc(Cl)cc(F)c2[O-])C2CC2)cc1 ZINC000775650173 1304003151 /nfs/dbraw/zinc/00/31/51/1304003151.db2.gz RAAAFAKUQNQLLK-UHFFFAOYSA-N -1 3 348.805 3.448 20 10 EGCDHM O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1cccc(O)c1[O-] ZINC000776644316 1304181143 /nfs/dbraw/zinc/18/11/43/1304181143.db2.gz KYIHRHMZLAMVHA-INIZCTEOSA-N -1 3 349.390 3.472 20 10 EGCDHM [O-]c1c(F)cccc1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000778988776 1304514878 /nfs/dbraw/zinc/51/48/78/1304514878.db2.gz NSIHYCVMDLWWTG-VMPITWQZSA-N -1 3 326.415 3.362 20 10 EGCDHM COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000780951299 1304754553 /nfs/dbraw/zinc/75/45/53/1304754553.db2.gz SABWTQUDHTZGTR-UHFFFAOYSA-N -1 3 343.379 3.109 20 10 EGCDHM O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cccc(O)c1[O-] ZINC000790221203 1306277606 /nfs/dbraw/zinc/27/76/06/1306277606.db2.gz RMNYEUQQCNKQLF-QWHCGFSZSA-N -1 3 348.196 3.146 20 10 EGCDHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cccc(O)c1[O-])CC3 ZINC000790923154 1308888177 /nfs/dbraw/zinc/88/81/77/1308888177.db2.gz RRWMICXJUYJDES-LBPRGKRZSA-N -1 3 336.391 3.175 20 10 EGCDHM Cc1ccccc1CCc1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000790926954 1308890421 /nfs/dbraw/zinc/89/04/21/1308890421.db2.gz AXVBHYAAPICTBV-UHFFFAOYSA-N -1 3 337.379 3.167 20 10 EGCDHM O=C(CNCc1c([O-])ccc(Cl)c1F)Nc1ccc(F)c(F)c1 ZINC000790947529 1308894015 /nfs/dbraw/zinc/89/40/15/1308894015.db2.gz OZZFALXPRKDLQV-UHFFFAOYSA-N -1 3 344.720 3.191 20 10 EGCDHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc3c(c2)CCCO3)c1 ZINC000900029092 1317221841 /nfs/dbraw/zinc/22/18/41/1317221841.db2.gz LJNPDNBVWPPFMY-SFHVURJKSA-N -1 3 341.407 3.326 20 10 EGCDHM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cccc(O)c1[O-] ZINC000807801534 1317588883 /nfs/dbraw/zinc/58/88/83/1317588883.db2.gz RYZFBKIMIPWAFS-UHFFFAOYSA-N -1 3 347.239 3.325 20 10 EGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000809702961 1317869629 /nfs/dbraw/zinc/86/96/29/1317869629.db2.gz BIJXOCCOHLXBCJ-CYBMUJFWSA-N -1 3 341.732 3.464 20 10 EGCDHM Cc1cnn([C@H]2CCN(Cc3cccc(Br)c3[O-])C2)c1 ZINC000811520276 1318194330 /nfs/dbraw/zinc/19/43/30/1318194330.db2.gz MVOGFCFSNAHPBB-ZDUSSCGKSA-N -1 3 336.233 3.107 20 10 EGCDHM CCCN1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813684030 1318619469 /nfs/dbraw/zinc/61/94/69/1318619469.db2.gz JFBXASWUQGIMTB-ZDUSSCGKSA-N -1 3 331.243 3.190 20 10 EGCDHM O=C1CCCCN1[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816504762 1319169364 /nfs/dbraw/zinc/16/93/64/1319169364.db2.gz AWDQMFKXBUWKPC-CYBMUJFWSA-N -1 3 340.826 3.162 20 10 EGCDHM CCOC(=O)CN(Cc1ccccc1O)Cc1c([O-])cccc1Cl ZINC000822511282 1320091589 /nfs/dbraw/zinc/09/15/89/1320091589.db2.gz AUIFTMGARGGYKU-UHFFFAOYSA-N -1 3 349.814 3.317 20 10 EGCDHM CC(C)(C)OC(=O)NCC[C@H](NCc1cc(F)ccc1[O-])C(F)F ZINC000824677850 1320276193 /nfs/dbraw/zinc/27/61/93/1320276193.db2.gz JZOSWPPVCYKQBB-LBPRGKRZSA-N -1 3 348.365 3.169 20 10 EGCDHM Cc1cc([O-])c(CN[C@@H](CO)c2c(F)cccc2F)cc1Cl ZINC000825279834 1320323386 /nfs/dbraw/zinc/32/33/86/1320323386.db2.gz YAWKHYHPRRBVCC-AWEZNQCLSA-N -1 3 327.758 3.455 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(Cc3ccncc3)CC2)cc1Cl ZINC000825450643 1320339538 /nfs/dbraw/zinc/33/95/38/1320339538.db2.gz JLJJIOKAPPPXKC-UHFFFAOYSA-N -1 3 331.847 3.067 20 10 EGCDHM COc1cccc(OC)c1CNCc1cc(Cl)cc(F)c1[O-] ZINC000826921631 1320414116 /nfs/dbraw/zinc/41/41/16/1320414116.db2.gz RPDNZAUSIQIJOJ-UHFFFAOYSA-N -1 3 325.767 3.492 20 10 EGCDHM CCOC(=O)C[C@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000827006066 1320420207 /nfs/dbraw/zinc/42/02/07/1320420207.db2.gz LMVJTODJXUUHOH-NSHDSACASA-N -1 3 325.714 3.019 20 10 EGCDHM COc1cc2c(c(OC)c1)N(Cc1cc(=O)[n-]c(C3CC3)n1)CCC2 ZINC000839656383 1320953162 /nfs/dbraw/zinc/95/31/62/1320953162.db2.gz ZRZYNPITKGGDQU-UHFFFAOYSA-N -1 3 341.411 3.030 20 10 EGCDHM O=C1CCCN1[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000840974799 1321192242 /nfs/dbraw/zinc/19/22/42/1321192242.db2.gz OXTKDGHXZLSBHQ-GFCCVEGCSA-N -1 3 340.826 3.162 20 10 EGCDHM CCOCc1cc(CN[C@H](C(=O)[O-])c2ccsc2)ccc1OC ZINC000841799024 1321314331 /nfs/dbraw/zinc/31/43/31/1321314331.db2.gz MIWFVINXTQBHLK-INIZCTEOSA-N -1 3 335.425 3.209 20 10 EGCDHM COc1ccc(N(C)CCN(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000846442159 1321786443 /nfs/dbraw/zinc/78/64/43/1321786443.db2.gz KSCIQUYFTWXEFF-UHFFFAOYSA-N -1 3 348.830 3.263 20 10 EGCDHM CO[C@H](CS(=O)(=O)Nc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC000849307712 1322109733 /nfs/dbraw/zinc/10/97/33/1322109733.db2.gz CZZMTNVQFQPWHI-OAHLLOKOSA-N -1 3 347.864 3.383 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCc2ccccc2[C@H]1CO ZINC000862245897 1329470306 /nfs/dbraw/zinc/47/03/06/1329470306.db2.gz AVRYUVTVSAGSNP-MRXNPFEDSA-N -1 3 348.240 3.246 20 10 EGCDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2nn(CC)cc21 ZINC001203656470 1370204043 /nfs/dbraw/zinc/20/40/43/1370204043.db2.gz PJUFVQMRPBWUCH-AWEZNQCLSA-N -1 3 349.862 3.398 20 10 EGCDHM CCOCc1ncn2c1CN(Cc1cc(Cl)ccc1[O-])CCC2 ZINC001203657851 1370204740 /nfs/dbraw/zinc/20/47/40/1370204740.db2.gz HECORFNJODRITI-UHFFFAOYSA-N -1 3 335.835 3.185 20 10 EGCDHM O=C1Nc2ccccc2CN1C1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203665820 1370208140 /nfs/dbraw/zinc/20/81/40/1370208140.db2.gz WTJCXZWGXMNCJE-UHFFFAOYSA-N -1 3 343.814 3.278 20 10 EGCDHM Cc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cn1C ZINC001188077973 1388236077 /nfs/dbraw/zinc/23/60/77/1388236077.db2.gz OVHOLQUFAOPRJM-UHFFFAOYSA-N -1 3 329.787 3.171 20 10 EGCDHM CCN(CC)c1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1 ZINC001215325472 1373197840 /nfs/dbraw/zinc/19/78/40/1373197840.db2.gz VUFDBNUIEIOJKF-UHFFFAOYSA-N -1 3 341.367 3.367 20 10 EGCDHM CO[C@@H](C)CCOc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229543052 1375853066 /nfs/dbraw/zinc/85/30/66/1375853066.db2.gz UYQURSFXCVLNHI-LBPRGKRZSA-N -1 3 340.375 3.280 20 10 EGCDHM COc1cccc([C@@H]2CC[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)c1 ZINC001231566930 1376267110 /nfs/dbraw/zinc/26/71/10/1376267110.db2.gz UTMWZIGTOWRBAH-OAHLLOKOSA-N -1 3 327.380 3.089 20 10 EGCDHM COc1cccc([C@@H]2CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)c1 ZINC001231566930 1376267118 /nfs/dbraw/zinc/26/71/18/1376267118.db2.gz UTMWZIGTOWRBAH-OAHLLOKOSA-N -1 3 327.380 3.089 20 10 EGCDHM CSc1ncc2c(n1)CN(Cc1cc(Cl)c(C)cc1[O-])CC2 ZINC001231870267 1376330489 /nfs/dbraw/zinc/33/04/89/1376330489.db2.gz QUGFKECPQJQVHD-UHFFFAOYSA-N -1 3 335.860 3.424 20 10 EGCDHM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cccc(Cl)c3[O-])O2)n1 ZINC001231910090 1376346498 /nfs/dbraw/zinc/34/64/98/1376346498.db2.gz KOJUWDMBBHCLKM-KFWWJZLASA-N -1 3 349.818 3.232 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])ccc(F)c2F)C[C@@H]1NC(=O)OC(C)(C)C ZINC001233335983 1376619255 /nfs/dbraw/zinc/61/92/55/1376619255.db2.gz TYEDWVZYHRROKP-MFKMUULPSA-N -1 3 342.386 3.015 20 10 EGCDHM [O-]c1ccc(F)c(F)c1CN1CCN2CCc3ccccc3[C@@H]2C1 ZINC001233336055 1376619672 /nfs/dbraw/zinc/61/96/72/1376619672.db2.gz WYXHWRDQPYFZBA-KRWDZBQOSA-N -1 3 330.378 3.085 20 10 EGCDHM O=S(=O)(CCc1ccc(Cl)cc1)Nc1ccc([O-])c(F)c1 ZINC001189100375 1388457741 /nfs/dbraw/zinc/45/77/41/1388457741.db2.gz AMBQZYFIAQKKPS-UHFFFAOYSA-N -1 3 329.780 3.169 20 10 EGCDHM COc1cc([O-])c(CN(C)Cc2cccnc2)c(Br)c1 ZINC001237058506 1376974905 /nfs/dbraw/zinc/97/49/05/1376974905.db2.gz AIBLRAQDTBIYOD-UHFFFAOYSA-N -1 3 337.217 3.190 20 10 EGCDHM [O-]c1ccc(-c2nnc(CC3CCCC3)o2)cc1CN1CCOCC1 ZINC001258703679 1377119207 /nfs/dbraw/zinc/11/92/07/1377119207.db2.gz RSVFVYOAFLLHNO-UHFFFAOYSA-N -1 3 343.427 3.007 20 10 EGCDHM CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1c([O-])cccc1F ZINC001137839145 1377626978 /nfs/dbraw/zinc/62/69/78/1377626978.db2.gz SYVWCIPFMIRYBG-DCGLDWPTSA-N -1 3 335.419 3.474 20 10 EGCDHM COc1ccccc1N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461011 1378066198 /nfs/dbraw/zinc/06/61/98/1378066198.db2.gz AYZMUMCFRNCOFD-UHFFFAOYSA-N -1 3 332.831 3.376 20 10 EGCDHM [O-]c1cc(Cl)ccc1CN1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001140468629 1378069005 /nfs/dbraw/zinc/06/90/05/1378069005.db2.gz RCJIUVPDKSVOKT-OAHLLOKOSA-N -1 3 330.806 3.351 20 10 EGCDHM O=C(Nc1ccccc1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466969 1378069185 /nfs/dbraw/zinc/06/91/85/1378069185.db2.gz OBLODYBUPKHBAP-UHFFFAOYSA-N -1 3 345.830 3.395 20 10 EGCDHM CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140584062 1378090365 /nfs/dbraw/zinc/09/03/65/1378090365.db2.gz FEYDXBBLKRBDER-NSHDSACASA-N -1 3 327.371 3.224 20 10 EGCDHM CCO[C@@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299612 1378712619 /nfs/dbraw/zinc/71/26/19/1378712619.db2.gz CFZFYUUPTPBOTJ-LLVKDONJSA-N -1 3 332.213 3.295 20 10 EGCDHM COc1ccccc1CC1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC001148224457 1379135864 /nfs/dbraw/zinc/13/58/64/1379135864.db2.gz MGWIRUYLLMMUPI-UHFFFAOYSA-N -1 3 341.407 3.249 20 10 EGCDHM COc1ncc(F)c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157726191 1381016456 /nfs/dbraw/zinc/01/64/56/1381016456.db2.gz GSVAGKHBSODYCW-UHFFFAOYSA-N -1 3 334.738 3.144 20 10 EGCDHM [O-]c1c(CNc2cc3c(nn2)CCOC3)cc(Cl)c2cccnc12 ZINC001157727820 1381016469 /nfs/dbraw/zinc/01/64/69/1381016469.db2.gz PHGWRWDHHDIMGT-UHFFFAOYSA-N -1 3 342.786 3.069 20 10 EGCDHM [O-]c1cc2ccccc2cc1CN[C@@H](F)Oc1ccc(Cl)nn1 ZINC001160213868 1382035204 /nfs/dbraw/zinc/03/52/04/1382035204.db2.gz PERALYOMXQHFGD-MRXNPFEDSA-N -1 3 333.750 3.411 20 10 EGCDHM Cn1cnc2cc(NCc3cc(Cl)c4cccnc4c3[O-])cnc21 ZINC001168523614 1383929654 /nfs/dbraw/zinc/92/96/54/1383929654.db2.gz QFUKJANROUGMAT-UHFFFAOYSA-N -1 3 339.786 3.488 20 10 EGCDHM CC[C@H](C)C[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)[O-] ZINC001594953016 982676124 /nfs/dbraw/zinc/67/61/24/982676124.db2.gz LRQQZGLOCUAWCU-TVQRCGJNSA-N -1 3 344.249 3.442 20 10 EGCDHM COc1ccc(CN[C@@H](C)c2ccc(OCC(=O)[O-])cc2)cc1C ZINC001599571003 998364985 /nfs/dbraw/zinc/36/49/85/998364985.db2.gz GVGSVJYJZBSDRE-AWEZNQCLSA-N -1 3 329.396 3.318 20 10 EGCDHM Cc1ccc(C[NH2+][C@@H](Cc2cc3ccccc3o2)C(=O)[O-])c([O-])c1 ZINC001607783124 1126234786 /nfs/dbraw/zinc/23/47/86/1126234786.db2.gz QTGMKLVXRMUPJL-INIZCTEOSA-N -1 3 325.364 3.232 20 10 EGCDHM CCCCc1noc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000069708867 203041104 /nfs/dbraw/zinc/04/11/04/203041104.db2.gz UJJZDXOPNHZBPI-MRXNPFEDSA-N -1 3 345.443 3.299 20 10 EGCDHM CC(C)n1ccnc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000264741353 455274200 /nfs/dbraw/zinc/27/42/00/455274200.db2.gz UJAMTLNDGNGNQY-QGZVFWFLSA-N -1 3 329.444 3.351 20 10 EGCDHM CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093416959 454714644 /nfs/dbraw/zinc/71/46/44/454714644.db2.gz QDPHIOVTAHIXPW-HNNXBMFYSA-N -1 3 347.480 3.314 20 10 EGCDHM [O-]c1cccc(Cl)c1CNCc1ccc(N2CCOCC2)cc1 ZINC000113326758 454923348 /nfs/dbraw/zinc/92/33/48/454923348.db2.gz XTOMTURHTRTQRY-UHFFFAOYSA-N -1 3 332.831 3.172 20 10 EGCDHM CN(Cc1nccn1C(F)F)Cc1cc(Br)ccc1[O-] ZINC000154966224 454949266 /nfs/dbraw/zinc/94/92/66/454949266.db2.gz UWBKLYYACKOPHQ-UHFFFAOYSA-N -1 3 346.175 3.378 20 10 EGCDHM CCc1noc(C)c1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000119057795 455123675 /nfs/dbraw/zinc/12/36/75/455123675.db2.gz UARUDSFRKZTERS-INIZCTEOSA-N -1 3 330.428 3.432 20 10 EGCDHM C[C@@H](N[C@H](C)c1cc(Cl)ccc1[O-])C(=O)NCc1ccccc1 ZINC000185183863 455518051 /nfs/dbraw/zinc/51/80/51/455518051.db2.gz BUROTOIIUZELCV-CHWSQXEVSA-N -1 3 332.831 3.401 20 10 EGCDHM Cc1ccc(CN2CC[C@@H](NCc3cccc(Cl)c3[O-])C2=O)cc1 ZINC000191809015 455522076 /nfs/dbraw/zinc/52/20/76/455522076.db2.gz SGMAMPRQHOHLHR-QGZVFWFLSA-N -1 3 344.842 3.245 20 10 EGCDHM NC(=O)c1cccc(CN(Cc2cccc(Cl)c2[O-])C2CC2)c1 ZINC000294828281 455829018 /nfs/dbraw/zinc/82/90/18/455829018.db2.gz PQWSMXVIMHTPRB-UHFFFAOYSA-N -1 3 330.815 3.309 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc3c(n2)CCCC3)c1 ZINC000278510135 455838830 /nfs/dbraw/zinc/83/88/30/455838830.db2.gz RJAQZFSGUXHQDP-ZDUSSCGKSA-N -1 3 340.423 3.303 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2ccccc2F)CC1 ZINC000279258346 455861119 /nfs/dbraw/zinc/86/11/19/455861119.db2.gz IYWDTWGVJIKIPB-UHFFFAOYSA-N -1 3 329.371 3.332 20 10 EGCDHM Cc1cccc(NC2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000187121653 455872178 /nfs/dbraw/zinc/87/21/78/455872178.db2.gz CHOITIVJPRHRSJ-UHFFFAOYSA-N -1 3 326.396 3.123 20 10 EGCDHM CC[C@H](NCc1cccnc1N1CCOCC1)c1ccc(F)cc1[O-] ZINC000285602152 455879555 /nfs/dbraw/zinc/87/95/55/455879555.db2.gz JVWIZKBXCPVETI-KRWDZBQOSA-N -1 3 345.418 3.004 20 10 EGCDHM CC[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(F)cc1[O-] ZINC000286101009 455978124 /nfs/dbraw/zinc/97/81/24/455978124.db2.gz MORNHVYHNWFOPY-KRWDZBQOSA-N -1 3 343.402 3.031 20 10 EGCDHM O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cccc(O)c1[O-] ZINC000188226951 456025542 /nfs/dbraw/zinc/02/55/42/456025542.db2.gz ZSVCJJDTTYAIHQ-UHFFFAOYSA-N -1 3 340.379 3.023 20 10 EGCDHM CC[C@H](NCC(=O)NCC(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC000286881979 456055937 /nfs/dbraw/zinc/05/59/37/456055937.db2.gz CKWJVRZUOMBLDR-JTQLQIEISA-N -1 3 341.185 3.121 20 10 EGCDHM CC[C@@H](NCCS(=O)(=O)C(C)(C)C)c1cccc(Cl)c1[O-] ZINC000287556605 456072673 /nfs/dbraw/zinc/07/26/73/456072673.db2.gz FZJFWFHKLCRDTA-CYBMUJFWSA-N -1 3 333.881 3.300 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(F)cnc2Cl)c1 ZINC000297444293 456221990 /nfs/dbraw/zinc/22/19/90/456221990.db2.gz WLCFQKXEJHIVOI-VIFPVBQESA-N -1 3 338.766 3.217 20 10 EGCDHM C[C@@H](NCc1ccnc(N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273303832 456222327 /nfs/dbraw/zinc/22/23/27/456222327.db2.gz CETYACTZNPDPTQ-CYBMUJFWSA-N -1 3 342.399 3.146 20 10 EGCDHM C[C@@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(F)cc1[O-] ZINC000273586922 456239177 /nfs/dbraw/zinc/23/91/77/456239177.db2.gz OAIMXKZQFHTZQA-CYBMUJFWSA-N -1 3 346.402 3.335 20 10 EGCDHM COCC(=O)N1CCc2cc(NCc3c([O-])cccc3Cl)ccc21 ZINC000275074024 456270306 /nfs/dbraw/zinc/27/03/06/456270306.db2.gz YHKOZQJNQPPREY-UHFFFAOYSA-N -1 3 346.814 3.193 20 10 EGCDHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccccc3O)nc2)n1 ZINC000302598514 456364197 /nfs/dbraw/zinc/36/41/97/456364197.db2.gz BPNCTWJJGHEMFQ-UHFFFAOYSA-N -1 3 336.395 3.149 20 10 EGCDHM CCCCN(Cc1ccccc1[O-])[C@@H](C(=O)OC)c1cccnc1 ZINC000282544205 456546457 /nfs/dbraw/zinc/54/64/57/456546457.db2.gz WJBZFSOKOGXRII-GOSISDBHSA-N -1 3 328.412 3.304 20 10 EGCDHM CC[C@@H](NCc1cnnn1CC)c1cc(Br)ccc1[O-] ZINC000527921082 459772747 /nfs/dbraw/zinc/77/27/47/459772747.db2.gz TVKHIAQPRMIYNB-CYBMUJFWSA-N -1 3 339.237 3.007 20 10 EGCDHM COc1cccc([C@H]2CN(C(=O)c3cccc(O)c3[O-])CC2(C)C)c1 ZINC000529729901 459836255 /nfs/dbraw/zinc/83/62/55/459836255.db2.gz UYQPSILQNXGTFD-MRXNPFEDSA-N -1 3 341.407 3.372 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@](CO)(c2ccccc2)C1 ZINC000365847579 547779256 /nfs/dbraw/zinc/77/92/56/547779256.db2.gz NDQKCBKGIOAGOO-GOSISDBHSA-N -1 3 335.806 3.321 20 10 EGCDHM CN(Cc1ccc(Br)cc1)C(=O)c1cc([O-])cs1 ZINC000731863845 575212991 /nfs/dbraw/zinc/21/29/91/575212991.db2.gz GUEOHCYAGQRSPZ-UHFFFAOYSA-N -1 3 326.215 3.488 20 10 EGCDHM CCOc1ccc(CCNC(=O)c2cc([O-])cs2)cc1OCC ZINC000731864316 575213486 /nfs/dbraw/zinc/21/34/86/575213486.db2.gz UPTSAFYLBMPOHQ-UHFFFAOYSA-N -1 3 335.425 3.224 20 10 EGCDHM CC(C)CNC(=O)c1cccc(COC(=O)c2cc([O-])cs2)c1 ZINC000732353197 575261400 /nfs/dbraw/zinc/26/14/00/575261400.db2.gz NUATYWPNKZODNZ-UHFFFAOYSA-N -1 3 333.409 3.197 20 10 EGCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000732352715 575261410 /nfs/dbraw/zinc/26/14/10/575261410.db2.gz CWIVYXGGENSZJA-ZLDLUXBVSA-N -1 3 339.457 3.330 20 10 EGCDHM COc1ccccc1NC(=O)[C@@H](OC(=O)c1cc([O-])cs1)C(C)C ZINC000732352956 575261415 /nfs/dbraw/zinc/26/14/15/575261415.db2.gz ISVBRLPOZUVZOL-HNNXBMFYSA-N -1 3 349.408 3.282 20 10 EGCDHM CCCC[C@@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1cc(C)on1 ZINC000732354034 575261732 /nfs/dbraw/zinc/26/17/32/575261732.db2.gz NSQIJQJCCZNCFC-LLVKDONJSA-N -1 3 338.385 3.104 20 10 EGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000151872151 1293942420 /nfs/dbraw/zinc/94/24/20/1293942420.db2.gz QHLSQXSXBHLTEZ-UHFFFAOYSA-N -1 3 347.314 3.400 20 10 EGCDHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1C ZINC000187058372 1295365495 /nfs/dbraw/zinc/36/54/95/1295365495.db2.gz DAJRSWIEECOLGY-UHFFFAOYSA-N -1 3 335.425 3.435 20 10 EGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](OCc2ccccn2)C1 ZINC000877645188 1299450801 /nfs/dbraw/zinc/45/08/01/1299450801.db2.gz CYELJBXZSPNJLS-HNNXBMFYSA-N -1 3 336.794 3.371 20 10 EGCDHM COC(=O)c1ccc2c(c1)CN(Cc1cc(F)cc(C(C)=O)c1[O-])C2 ZINC000750825705 1299459606 /nfs/dbraw/zinc/45/96/06/1299459606.db2.gz JCMOKXJTMFWUKO-UHFFFAOYSA-N -1 3 343.354 3.036 20 10 EGCDHM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1F ZINC000756367753 1300476759 /nfs/dbraw/zinc/47/67/59/1300476759.db2.gz WEUJOPDOKNINKG-GOSISDBHSA-N -1 3 346.402 3.293 20 10 EGCDHM COc1ccc2c(c1)OCC[C@H]2N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756614664 1300532326 /nfs/dbraw/zinc/53/23/26/1300532326.db2.gz UMTPKVSKBSWEKN-BDJLRTHQSA-N -1 3 344.367 3.483 20 10 EGCDHM Cc1cc(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])ncn1 ZINC000756775022 1300564080 /nfs/dbraw/zinc/56/40/80/1300564080.db2.gz GLIZXGXKQVMYKX-VIFPVBQESA-N -1 3 340.196 3.243 20 10 EGCDHM C[C@H](Nc1cccc(N2C(=O)CN(C)C2=O)c1)c1ccc(F)cc1[O-] ZINC000756895388 1300583642 /nfs/dbraw/zinc/58/36/42/1300583642.db2.gz VHYHJLAWJNBAFM-NSHDSACASA-N -1 3 343.358 3.103 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc3c(cc2C)OCO3)c1 ZINC000757636957 1300700313 /nfs/dbraw/zinc/70/03/13/1300700313.db2.gz HEBUJUXAMIMHOV-LLVKDONJSA-N -1 3 329.352 3.389 20 10 EGCDHM CCS(=O)(=O)CCN(C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000758378071 1300866489 /nfs/dbraw/zinc/86/64/89/1300866489.db2.gz XWZMEWWGDRKSHU-UHFFFAOYSA-N -1 3 347.436 3.158 20 10 EGCDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1OC(C)C ZINC000761014680 1301383669 /nfs/dbraw/zinc/38/36/69/1301383669.db2.gz UFMQHVKREIFHLF-UHFFFAOYSA-N -1 3 331.368 3.454 20 10 EGCDHM COCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)cc1 ZINC000882799169 1302110507 /nfs/dbraw/zinc/11/05/07/1302110507.db2.gz RRLPNEUBDRFTAL-UHFFFAOYSA-N -1 3 335.425 3.463 20 10 EGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000768505505 1302919993 /nfs/dbraw/zinc/91/99/93/1302919993.db2.gz RTBHEOMTJRIXPL-UHFFFAOYSA-N -1 3 345.424 3.432 20 10 EGCDHM CCOC(=O)[C@@H](NCc1cc(Br)ccc1[O-])C(C)(C)C ZINC000768523724 1302923874 /nfs/dbraw/zinc/92/38/74/1302923874.db2.gz GFVZVRSMZDQSOM-CYBMUJFWSA-N -1 3 344.249 3.222 20 10 EGCDHM COC(=O)CN(Cc1cc(C)oc1C)Cc1cc(Cl)ccc1[O-] ZINC000769379821 1303102973 /nfs/dbraw/zinc/10/29/73/1303102973.db2.gz NXDSQFFMZGKBAO-UHFFFAOYSA-N -1 3 337.803 3.431 20 10 EGCDHM Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000770473583 1303273796 /nfs/dbraw/zinc/27/37/96/1303273796.db2.gz NEQFUKINRZRTBW-UHFFFAOYSA-N -1 3 337.379 3.461 20 10 EGCDHM CCNC(=O)COc1ccc(N[C@H](C)c2c([O-])cccc2F)cc1 ZINC000886566437 1303504703 /nfs/dbraw/zinc/50/47/03/1303504703.db2.gz QHSRUVZWGMSTFI-GFCCVEGCSA-N -1 3 332.375 3.219 20 10 EGCDHM COc1c([O-])c(CN2Cc3ccccc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000774909444 1303876111 /nfs/dbraw/zinc/87/61/11/1303876111.db2.gz QCBRHBHVPJGSLI-GFCCVEGCSA-N -1 3 328.368 3.256 20 10 EGCDHM CCOC(=O)CC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775650730 1304004963 /nfs/dbraw/zinc/00/49/63/1304004963.db2.gz VEGGYPYSGWSJMS-UHFFFAOYSA-N -1 3 329.799 3.350 20 10 EGCDHM CCOC(=O)CN(Cc1ccc(F)cc1)Cc1cc(F)ccc1[O-] ZINC000779002190 1304516237 /nfs/dbraw/zinc/51/62/37/1304516237.db2.gz KMLVVRFMSLMIEW-UHFFFAOYSA-N -1 3 335.350 3.236 20 10 EGCDHM COC(=O)c1ccc2c(c1)CN(Cc1c([O-])cccc1Cl)CC2 ZINC000779600160 1304585544 /nfs/dbraw/zinc/58/55/44/1304585544.db2.gz VYDBQSDCMLEVOE-UHFFFAOYSA-N -1 3 331.799 3.391 20 10 EGCDHM CC(C)c1nc([C@H]2COCCN2Cc2cc(Cl)ccc2[O-])no1 ZINC000779616999 1304587886 /nfs/dbraw/zinc/58/78/86/1304587886.db2.gz XZLFIWMPVHTJAR-CYBMUJFWSA-N -1 3 337.807 3.126 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])c(O)c1O ZINC000780885949 1304749025 /nfs/dbraw/zinc/74/90/25/1304749025.db2.gz AQAGNXCDPBCKKR-UHFFFAOYSA-N -1 3 338.157 3.127 20 10 EGCDHM CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000780904085 1304749555 /nfs/dbraw/zinc/74/95/55/1304749555.db2.gz NJUCHSHXJKHPID-UHFFFAOYSA-N -1 3 328.368 3.234 20 10 EGCDHM COC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1Cl ZINC000780945919 1304754278 /nfs/dbraw/zinc/75/42/78/1304754278.db2.gz SAUAWBCIKKLWCA-UHFFFAOYSA-N -1 3 335.743 3.099 20 10 EGCDHM COc1ccc(OC)c(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790949226 1308893396 /nfs/dbraw/zinc/89/33/96/1308893396.db2.gz LSIUKSGOYIJOIY-UHFFFAOYSA-N -1 3 325.767 3.492 20 10 EGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])[C@@H]1CO ZINC000894535275 1308943795 /nfs/dbraw/zinc/94/37/95/1308943795.db2.gz YGTXAWPPTDMBQG-PRHODGIISA-N -1 3 334.641 3.011 20 10 EGCDHM CC[C@@H](Nc1ccc(OC)c(-n2cnnn2)c1)c1ccc(F)cc1[O-] ZINC000796923212 1310110746 /nfs/dbraw/zinc/11/07/46/1310110746.db2.gz AYNTWGWALUBXNV-CQSZACIVSA-N -1 3 343.362 3.079 20 10 EGCDHM COC(=O)Nc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000798053020 1310287925 /nfs/dbraw/zinc/28/79/25/1310287925.db2.gz LQQWVVJSPIGBDK-UHFFFAOYSA-N -1 3 330.340 3.145 20 10 EGCDHM CCN(C)C(=O)OC[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000809723364 1317878199 /nfs/dbraw/zinc/87/81/99/1317878199.db2.gz HFHJSCAQQFAESN-AWEZNQCLSA-N -1 3 340.851 3.488 20 10 EGCDHM C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683220 1318619778 /nfs/dbraw/zinc/61/97/78/1318619778.db2.gz XRSVQZMTOKGFLV-NXEZZACHSA-N -1 3 331.243 3.188 20 10 EGCDHM Cc1cccc([O-])c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000858589969 1328803201 /nfs/dbraw/zinc/80/32/01/1328803201.db2.gz FEZJACHOYHUSNI-UHFFFAOYSA-N -1 3 342.464 3.184 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000816560583 1319183350 /nfs/dbraw/zinc/18/33/50/1319183350.db2.gz SZMCNWGAVIAOBX-QGZVFWFLSA-N -1 3 339.769 3.417 20 10 EGCDHM C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000817624630 1319417460 /nfs/dbraw/zinc/41/74/60/1319417460.db2.gz DLHGSASJMJGIOL-IBGZPJMESA-N -1 3 329.371 3.474 20 10 EGCDHM COC(=O)c1cnc([C@H](C)NCc2cc(Cl)ccc2[O-])s1 ZINC000818230420 1319523512 /nfs/dbraw/zinc/52/35/12/1319523512.db2.gz BDONLIAKZHNGGP-QMMMGPOBSA-N -1 3 326.805 3.140 20 10 EGCDHM CC(C)(C)OC(=O)NCC[C@@H](NCc1cc(F)ccc1[O-])C(F)F ZINC000824677847 1320276459 /nfs/dbraw/zinc/27/64/59/1320276459.db2.gz JZOSWPPVCYKQBB-GFCCVEGCSA-N -1 3 348.365 3.169 20 10 EGCDHM CCOC(=O)[C@@H](C)N(Cc1ccc(Br)cc1[O-])C1CC1 ZINC000825667364 1320353661 /nfs/dbraw/zinc/35/36/61/1320353661.db2.gz XMPMDQVWAWZTFZ-SNVBAGLBSA-N -1 3 342.233 3.071 20 10 EGCDHM COC(=O)c1cc(C(C)(C)NCc2cc(Cl)c(C)cc2[O-])no1 ZINC000825943294 1320373313 /nfs/dbraw/zinc/37/33/13/1320373313.db2.gz BXWYHMLOFAVWDK-UHFFFAOYSA-N -1 3 338.791 3.154 20 10 EGCDHM Cc1noc([C@@H](C)N(C)Cc2ccc(Br)cc2[O-])n1 ZINC000826535453 1320386384 /nfs/dbraw/zinc/38/63/84/1320386384.db2.gz XFOVGBDGRRYBIB-MRVPVSSYSA-N -1 3 326.194 3.039 20 10 EGCDHM O=c1cc(C=Cc2ccc(N3CCOCC3)c(F)c2)nc(C2CC2)[n-]1 ZINC000840718644 1321133933 /nfs/dbraw/zinc/13/39/33/1321133933.db2.gz DEGATCMUXKREDP-KTAJNNJTSA-N -1 3 341.386 3.206 20 10 EGCDHM CN(CCC[N-]C(=O)C(F)(F)F)c1ccc(-c2nccs2)cc1 ZINC000846992003 1321831815 /nfs/dbraw/zinc/83/18/15/1321831815.db2.gz IJXCSVMTENLEER-UHFFFAOYSA-N -1 3 343.374 3.315 20 10 EGCDHM [O-]c1cccc(Br)c1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000862380390 1329480202 /nfs/dbraw/zinc/48/02/02/1329480202.db2.gz FBXUJWCVCGKBAC-CVEARBPZSA-N -1 3 338.245 3.298 20 10 EGCDHM O=S(=O)(Cc1c(F)cccc1F)Nc1ccc([O-])c(Cl)c1 ZINC001197600450 1368851057 /nfs/dbraw/zinc/85/10/57/1368851057.db2.gz NQLRXJVVZGUDFO-UHFFFAOYSA-N -1 3 333.743 3.266 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001215325339 1373197758 /nfs/dbraw/zinc/19/77/58/1373197758.db2.gz NFKPMVQBDSLUDS-UHFFFAOYSA-N -1 3 340.669 3.452 20 10 EGCDHM Cc1cc(N(c2ccc(N)cc2)S(C)(=O)=O)cc(Cl)c1[O-] ZINC001216088273 1373261262 /nfs/dbraw/zinc/26/12/62/1373261262.db2.gz RCQFBDPESKXGQZ-UHFFFAOYSA-N -1 3 326.805 3.034 20 10 EGCDHM [O-]c1ccc(-c2nc(-c3cccc4ccnn43)no2)c(Cl)c1O ZINC001216954167 1373370515 /nfs/dbraw/zinc/37/05/15/1373370515.db2.gz RKBZMNYFKPASRA-UHFFFAOYSA-N -1 3 328.715 3.116 20 10 EGCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC[C@@H]3CCCCO3)cccc21 ZINC001226379296 1375248737 /nfs/dbraw/zinc/24/87/37/1375248737.db2.gz BKWHKPRUUIIRRS-LBPRGKRZSA-N -1 3 338.359 3.116 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)c1 ZINC001231562999 1376264741 /nfs/dbraw/zinc/26/47/41/1376264741.db2.gz CSKGIQSTIITELX-UHFFFAOYSA-N -1 3 345.439 3.262 20 10 EGCDHM COc1cccnc1O[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231913266 1376349649 /nfs/dbraw/zinc/34/96/49/1376349649.db2.gz KCRZFAIMTUBGSK-CYBMUJFWSA-N -1 3 334.803 3.103 20 10 EGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCNC[C@@H]1C(F)(F)F ZINC001236979460 1376968444 /nfs/dbraw/zinc/96/84/44/1376968444.db2.gz DIGCMDXPNMFZOQ-LLVKDONJSA-N -1 3 329.149 3.035 20 10 EGCDHM COc1cc([O-])c(CN2C[C@@H](C)C[C@H]2CF)c(Br)c1 ZINC001237058952 1376973230 /nfs/dbraw/zinc/97/32/30/1376973230.db2.gz CVTLAKHUNYHHKH-UWVGGRQHSA-N -1 3 332.213 3.343 20 10 EGCDHM [O-]c1cccc(F)c1CN1CCN(c2nccc3ccccc32)CC1 ZINC001137837435 1377626915 /nfs/dbraw/zinc/62/69/15/1377626915.db2.gz GUMDMTIJSCQWSP-UHFFFAOYSA-N -1 3 337.398 3.402 20 10 EGCDHM COc1cccc(CN(C)Cc2c([O-])ccc3c(C)cc(=O)oc32)c1 ZINC001139128573 1377834577 /nfs/dbraw/zinc/83/45/77/1377834577.db2.gz WJTLXXHIKGAFAP-UHFFFAOYSA-N -1 3 339.391 3.448 20 10 EGCDHM CC(C)(C)OC(=O)C[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139687900 1377934465 /nfs/dbraw/zinc/93/44/65/1377934465.db2.gz UDNGKDQTHUNVLA-NSHDSACASA-N -1 3 327.371 3.224 20 10 EGCDHM CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc([O-])c(F)c1F ZINC001140894099 1378172290 /nfs/dbraw/zinc/17/22/90/1378172290.db2.gz QBQIRIPUTGDAKE-UHFFFAOYSA-N -1 3 348.393 3.139 20 10 EGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@@]1(C)O ZINC001141367537 1378311605 /nfs/dbraw/zinc/31/16/05/1378311605.db2.gz DSXDFSOXLYPESZ-YMTOWFKASA-N -1 3 348.668 3.401 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CCC2(CCOC2)CC1 ZINC001144298778 1378711705 /nfs/dbraw/zinc/71/17/05/1378711705.db2.gz IUAQNMUSHCQQRP-UHFFFAOYSA-N -1 3 344.224 3.296 20 10 EGCDHM O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148588565 1379218478 /nfs/dbraw/zinc/21/84/78/1379218478.db2.gz UJXFEYORPGMMIB-UHFFFAOYSA-N -1 3 336.347 3.042 20 10 EGCDHM O=C(/C=C/c1ccc[nH]1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177939294 1386089354 /nfs/dbraw/zinc/08/93/54/1386089354.db2.gz WNCMUTUPNADYOM-AATRIKPKSA-N -1 3 327.771 3.252 20 10 EGCDHM Cc1nn(C)c2sc(C(=O)[N-]c3c4nonc4ccc3Cl)cc12 ZINC001321102994 1386809863 /nfs/dbraw/zinc/80/98/63/1386809863.db2.gz DXCHPBXNAUKSRE-UHFFFAOYSA-N -1 3 347.787 3.385 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1C[C@@]1(F)Cl ZINC001181675962 1387036142 /nfs/dbraw/zinc/03/61/42/1387036142.db2.gz XTDNVUAMZYNDPH-XPTSAGLGSA-N -1 3 329.158 3.135 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1C[C@]1(F)Cl ZINC001181675963 1387036546 /nfs/dbraw/zinc/03/65/46/1387036546.db2.gz XTDNVUAMZYNDPH-YMTOWFKASA-N -1 3 329.158 3.135 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1[O-] ZINC001594058825 958069958 /nfs/dbraw/zinc/06/99/58/958069958.db2.gz KGVHYZSLZKYEOY-GJZGRUSLSA-N -1 3 347.798 3.457 20 10 EGCDHM CN(C)c1ccc(CN2CCC[C@@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000840997593 969221183 /nfs/dbraw/zinc/22/11/83/969221183.db2.gz PCTZCOWUADNLNH-GFCCVEGCSA-N -1 3 330.350 3.068 20 10 EGCDHM CC[C@@H](C)C[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)[O-] ZINC001594953014 982676154 /nfs/dbraw/zinc/67/61/54/982676154.db2.gz LRQQZGLOCUAWCU-NOZJJQNGSA-N -1 3 344.249 3.442 20 10 EGCDHM CCN(CC)c1ccc(CN(C)Cc2ccc(C(=O)[O-])n2C)cc1 ZINC001596289006 983709026 /nfs/dbraw/zinc/70/90/26/983709026.db2.gz AZNIEVWIIVSONZ-UHFFFAOYSA-N -1 3 329.444 3.202 20 10 EGCDHM CCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C)c(C)c2)c([O-])c1 ZINC001597101492 986718062 /nfs/dbraw/zinc/71/80/62/986718062.db2.gz WBEGCNXMSMCESV-SFHVURJKSA-N -1 3 329.396 3.323 20 10 EGCDHM CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cccc(C(=O)[O-])n1 ZINC001591596685 992824133 /nfs/dbraw/zinc/82/41/33/992824133.db2.gz MHUGPLJNOWKTAY-UHFFFAOYSA-N -1 3 327.428 3.256 20 10 EGCDHM C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593232120 994382391 /nfs/dbraw/zinc/38/23/91/994382391.db2.gz MIODSCLQOXEXSU-WBHUJUFNSA-N -1 3 342.395 3.056 20 10 EGCDHM C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247727 994467619 /nfs/dbraw/zinc/46/76/19/994467619.db2.gz SCXJSVMKKZMPKY-CJNGLKHVSA-N -1 3 344.411 3.171 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC001599421036 997594500 /nfs/dbraw/zinc/59/45/00/997594500.db2.gz YGKJSOQSWWVWQC-MLGOLLRUSA-N -1 3 327.808 3.177 20 10 EGCDHM CN(Cc1ccccc1[O-])[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528415571 313088297 /nfs/dbraw/zinc/08/82/97/313088297.db2.gz FTUNDUICNBMBCC-INIZCTEOSA-N -1 3 348.805 3.422 20 10 EGCDHM CCOC[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177172397 454832470 /nfs/dbraw/zinc/83/24/70/454832470.db2.gz XUPIASMJPMUBNE-CYBMUJFWSA-N -1 3 325.836 3.497 20 10 EGCDHM Cc1nn(C)c(OCC(F)(F)F)c1CN(C)Cc1ccccc1[O-] ZINC000120070269 454255059 /nfs/dbraw/zinc/25/50/59/454255059.db2.gz FURWURBHZJMANK-UHFFFAOYSA-N -1 3 343.349 3.007 20 10 EGCDHM COCCOC[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093754941 454731515 /nfs/dbraw/zinc/73/15/15/454731515.db2.gz FTFHQZOCHSWBOU-LLVKDONJSA-N -1 3 334.243 3.184 20 10 EGCDHM CCCN(Cc1ccccc1[O-])Cc1nc2ccccc2c(=O)n1C ZINC000170779284 454976255 /nfs/dbraw/zinc/97/62/55/454976255.db2.gz XQAOANASMVQFFH-UHFFFAOYSA-N -1 3 337.423 3.051 20 10 EGCDHM Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c([O-])c1O ZINC000179448695 455049491 /nfs/dbraw/zinc/04/94/91/455049491.db2.gz DIBBIWAPZFXZKQ-INIZCTEOSA-N -1 3 341.407 3.228 20 10 EGCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)c([O-])c1O ZINC000179501386 455053424 /nfs/dbraw/zinc/05/34/24/455053424.db2.gz QDGJJZGZDZNDBG-MRXNPFEDSA-N -1 3 340.423 3.147 20 10 EGCDHM Cc1ccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)c([O-])c1O ZINC000179521997 455055200 /nfs/dbraw/zinc/05/52/00/455055200.db2.gz DXSDGUQCPXVTGY-INIZCTEOSA-N -1 3 341.407 3.085 20 10 EGCDHM O=C1OCCN1c1cccc2c1CCN(Cc1cc(F)ccc1[O-])C2 ZINC000180214991 455148911 /nfs/dbraw/zinc/14/89/11/455148911.db2.gz PIHQSRSXSLPYOX-UHFFFAOYSA-N -1 3 342.370 3.046 20 10 EGCDHM COc1ccccc1CN(C(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000182140163 455444758 /nfs/dbraw/zinc/44/47/58/455444758.db2.gz WGPZJKXWQKGUBG-UHFFFAOYSA-N -1 3 327.380 3.220 20 10 EGCDHM CCOC(=O)c1csc([C@H]2CCCN2Cc2ccccc2[O-])n1 ZINC000191824077 455523301 /nfs/dbraw/zinc/52/33/01/455523301.db2.gz BCYXFLRBPGKRGE-CQSZACIVSA-N -1 3 332.425 3.363 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c([O-])c1O ZINC000182569884 455543706 /nfs/dbraw/zinc/54/37/06/455543706.db2.gz SCDLULHDURVOLW-TZMCWYRMSA-N -1 3 347.436 3.196 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000271334192 455601555 /nfs/dbraw/zinc/60/15/55/455601555.db2.gz NQDZJZGNJZLPMX-BEFAXECRSA-N -1 3 347.842 3.370 20 10 EGCDHM C[C@@H](NCc1cccnc1OCC(F)F)c1cc(F)ccc1[O-] ZINC000186199545 455715355 /nfs/dbraw/zinc/71/53/55/455715355.db2.gz YBCRLOKYMUJBQJ-SNVBAGLBSA-N -1 3 326.318 3.421 20 10 EGCDHM CCCc1nc(C)c(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])o1 ZINC000293235190 455779455 /nfs/dbraw/zinc/77/94/55/455779455.db2.gz AZQXGDXGDPGTJG-LLVKDONJSA-N -1 3 332.400 3.279 20 10 EGCDHM [O-]c1ccccc1[C@@H](CCc1ccccc1)NCc1nnc2n1CCC2 ZINC000293861828 455799410 /nfs/dbraw/zinc/79/94/10/455799410.db2.gz UNOSCKHPONTXSF-GOSISDBHSA-N -1 3 348.450 3.394 20 10 EGCDHM COc1c([O-])c(CNc2ccc3c(c2)OC(C)(C)O3)ccc1[N+](=O)[O-] ZINC000278492076 455837876 /nfs/dbraw/zinc/83/78/76/455837876.db2.gz LJNGJDZXUSDRQO-UHFFFAOYSA-N -1 3 346.339 3.428 20 10 EGCDHM COc1c([O-])c(CN[C@H](c2nc(C)cs2)C2CC2)ccc1[N+](=O)[O-] ZINC000278542521 455838298 /nfs/dbraw/zinc/83/82/98/455838298.db2.gz XMPPJXCBBKPDME-ZDUSSCGKSA-N -1 3 349.412 3.315 20 10 EGCDHM C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc(O)c3[O-])n2)C1 ZINC000186829543 455841369 /nfs/dbraw/zinc/84/13/69/455841369.db2.gz STWTVBPEJMHDEW-NSHDSACASA-N -1 3 347.440 3.039 20 10 EGCDHM CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1nc(C)cs1 ZINC000278914313 455853210 /nfs/dbraw/zinc/85/32/10/455853210.db2.gz TUGBYIQIDYFLMA-LLVKDONJSA-N -1 3 337.401 3.315 20 10 EGCDHM Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@@H](C)c3ccc(F)cc3[O-])n2)c1 ZINC000279163087 455859060 /nfs/dbraw/zinc/85/90/60/455859060.db2.gz BQCUNJGRUJCLDQ-NWDGAFQWSA-N -1 3 341.390 3.432 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2c(F)cncc2F)c1 ZINC000285507381 455860451 /nfs/dbraw/zinc/86/04/51/455860451.db2.gz AXXZWAZJGKCPSY-VHSXEESVSA-N -1 3 336.338 3.264 20 10 EGCDHM [O-]c1ccc(F)cc1CN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000280332943 455949537 /nfs/dbraw/zinc/94/95/37/455949537.db2.gz RGAKVPGKASWNRD-CYBMUJFWSA-N -1 3 345.292 3.253 20 10 EGCDHM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272690064 456040913 /nfs/dbraw/zinc/04/09/13/456040913.db2.gz VMSXLQDKWSDJMM-UHFFFAOYSA-N -1 3 345.395 3.086 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1[O-] ZINC000289462504 456125189 /nfs/dbraw/zinc/12/51/89/456125189.db2.gz GQPYFQJNZRMIPO-SJLPKXTDSA-N -1 3 333.403 3.267 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000289462500 456126335 /nfs/dbraw/zinc/12/63/35/456126335.db2.gz GQPYFQJNZRMIPO-FUHWJXTLSA-N -1 3 333.403 3.267 20 10 EGCDHM CNC(=O)COc1ccc(N[C@H](C)c2cc(F)ccc2[O-])c(C)c1 ZINC000281279677 456187790 /nfs/dbraw/zinc/18/77/90/456187790.db2.gz XJCYMXIVOQWWHP-GFCCVEGCSA-N -1 3 332.375 3.138 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(OC)c(F)c2)c1 ZINC000273415980 456229264 /nfs/dbraw/zinc/22/92/64/456229264.db2.gz QYNBIMCYRKTGHV-NSHDSACASA-N -1 3 333.359 3.177 20 10 EGCDHM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc(O)c1[O-] ZINC000275398426 456273949 /nfs/dbraw/zinc/27/39/49/456273949.db2.gz DPLUGPSBSVVASG-MEDUHNTESA-N -1 3 347.798 3.353 20 10 EGCDHM COc1ccc([O-])c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000298396626 456445445 /nfs/dbraw/zinc/44/54/45/456445445.db2.gz SXGDALAHEBDSRJ-UHFFFAOYSA-N -1 3 340.423 3.272 20 10 EGCDHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(N(C)C)cc3)nc2)n1 ZINC000301187915 456817736 /nfs/dbraw/zinc/81/77/36/456817736.db2.gz UDPOPYGGVYLNPZ-UHFFFAOYSA-N -1 3 349.438 3.485 20 10 EGCDHM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000374785685 457706698 /nfs/dbraw/zinc/70/66/98/457706698.db2.gz WQNJPFXWWDSGSX-LBPRGKRZSA-N -1 3 348.834 3.107 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cccc(-n2cncn2)c1 ZINC000365149857 457728930 /nfs/dbraw/zinc/72/89/30/457728930.db2.gz ZHPRPGVXPZNCER-UHFFFAOYSA-N -1 3 332.766 3.055 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368215861 458020053 /nfs/dbraw/zinc/02/00/53/458020053.db2.gz OSNLVPXABZYLMY-JTQLQIEISA-N -1 3 330.190 3.482 20 10 EGCDHM COc1ccc([C@@H](NCc2cc(F)cc(C(C)=O)c2[O-])C2CC2)cn1 ZINC000528849614 459815117 /nfs/dbraw/zinc/81/51/17/459815117.db2.gz RQKJEXDVAKDNIV-SFHVURJKSA-N -1 3 344.386 3.378 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@](CO)(c2ccccc2)C1 ZINC000365847580 547779539 /nfs/dbraw/zinc/77/95/39/547779539.db2.gz NDQKCBKGIOAGOO-SFHVURJKSA-N -1 3 335.806 3.321 20 10 EGCDHM COC(=O)CN(Cc1cccc(F)c1)Cc1cc(Cl)ccc1[O-] ZINC000731846036 575211974 /nfs/dbraw/zinc/21/19/74/575211974.db2.gz IRZXQOXWSOXAIG-UHFFFAOYSA-N -1 3 337.778 3.360 20 10 EGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000731912174 575218679 /nfs/dbraw/zinc/21/86/79/575218679.db2.gz PUDKLAUMXFLYPL-VHSXEESVSA-N -1 3 337.372 3.016 20 10 EGCDHM C[C@@H](NC(=O)COC(=O)c1cc([O-])cs1)c1ccc(Cl)cc1 ZINC000731912287 575218784 /nfs/dbraw/zinc/21/87/84/575218784.db2.gz UDYMAAKLUVQVOU-SECBINFHSA-N -1 3 339.800 3.141 20 10 EGCDHM Cc1cc(C)n(-c2ccc(CCNC(=O)c3cc([O-])cs3)cc2)n1 ZINC000732270681 575251393 /nfs/dbraw/zinc/25/13/93/575251393.db2.gz SQTXLOAYLWMBQS-UHFFFAOYSA-N -1 3 341.436 3.229 20 10 EGCDHM CN(c1ccc(CNC(=O)c2cncc([O-])c2)cc1)C1CCCCC1 ZINC000732280059 575254152 /nfs/dbraw/zinc/25/41/52/575254152.db2.gz SZHNFJOSJHFFBK-UHFFFAOYSA-N -1 3 339.439 3.486 20 10 EGCDHM O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc([O-])cs1 ZINC000732288580 575255373 /nfs/dbraw/zinc/25/53/73/575255373.db2.gz DQZFOQOOSBBJFV-UHFFFAOYSA-N -1 3 335.385 3.287 20 10 EGCDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1nc(-c2cccc(F)c2)no1 ZINC000743799368 576816103 /nfs/dbraw/zinc/81/61/03/576816103.db2.gz HWXSSSGQWNQEHH-MRVPVSSYSA-N -1 3 333.344 3.134 20 10 EGCDHM CN(C)c1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000825878792 607838686 /nfs/dbraw/zinc/83/86/86/607838686.db2.gz FLFLQZZXZLKOKW-UHFFFAOYSA-N -1 3 345.410 3.093 20 10 EGCDHM CN(C)c1ccc(CNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000825878792 607838687 /nfs/dbraw/zinc/83/86/87/607838687.db2.gz FLFLQZZXZLKOKW-UHFFFAOYSA-N -1 3 345.410 3.093 20 10 EGCDHM CC(C)CO[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000091964423 1292849842 /nfs/dbraw/zinc/84/98/42/1292849842.db2.gz UNDGPGBSLJYOBQ-ZDUSSCGKSA-N -1 3 328.250 3.402 20 10 EGCDHM O=C(c1ccc(F)cc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000128758335 1293603485 /nfs/dbraw/zinc/60/34/85/1293603485.db2.gz XQIRDCFMEHDUON-UHFFFAOYSA-N -1 3 348.805 3.143 20 10 EGCDHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(O)c1[O-] ZINC000186754601 1295347565 /nfs/dbraw/zinc/34/75/65/1295347565.db2.gz GIRABFYVVWRKPA-UHFFFAOYSA-N -1 3 325.286 3.389 20 10 EGCDHM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(O)c1[O-] ZINC000192987097 1295822377 /nfs/dbraw/zinc/82/23/77/1295822377.db2.gz RZLOBULIPIRGRU-UHFFFAOYSA-N -1 3 325.286 3.389 20 10 EGCDHM C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc([O-])c1F ZINC000872025426 1296668475 /nfs/dbraw/zinc/66/84/75/1296668475.db2.gz MNYXWRDEPOHFGE-ZDUSSCGKSA-N -1 3 348.393 3.358 20 10 EGCDHM COc1ccccc1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000391328651 1297642129 /nfs/dbraw/zinc/64/21/29/1297642129.db2.gz RPDNNVFGOOSKHL-UHFFFAOYSA-N -1 3 332.831 3.376 20 10 EGCDHM CO[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])[C@@H](C)C1 ZINC000715739949 1298285676 /nfs/dbraw/zinc/28/56/76/1298285676.db2.gz XSXHDAGYGKIGIN-CABZTGNLSA-N -1 3 332.213 3.293 20 10 EGCDHM COc1ccc(OC)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756371377 1300478523 /nfs/dbraw/zinc/47/85/23/1300478523.db2.gz ZGDNNQGKSURCQT-NSHDSACASA-N -1 3 332.356 3.168 20 10 EGCDHM COc1ccc2c(c1)OCC[C@@H]2N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756614667 1300531349 /nfs/dbraw/zinc/53/13/49/1300531349.db2.gz UMTPKVSKBSWEKN-ZBEGNZNMSA-N -1 3 344.367 3.483 20 10 EGCDHM CC(C)(C)Oc1cccc(CNCc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000767418584 1302668511 /nfs/dbraw/zinc/66/85/11/1302668511.db2.gz YIDPUFXTTQHDRZ-UHFFFAOYSA-N -1 3 331.372 3.163 20 10 EGCDHM CCN(Cc1cc(C)n(C)n1)Cc1cc(Br)ccc1[O-] ZINC000767901123 1302781700 /nfs/dbraw/zinc/78/17/00/1302781700.db2.gz UEGHVBAGZMIMLS-UHFFFAOYSA-N -1 3 338.249 3.219 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccccc2NC(=O)NC(C)C)c([O-])c1O ZINC000770478289 1303274461 /nfs/dbraw/zinc/27/44/61/1303274461.db2.gz WNZTUXBDADVOBR-UHFFFAOYSA-N -1 3 343.383 3.188 20 10 EGCDHM Cc1cc(CN[C@H](C)c2c([O-])cccc2F)nc(N2CCCC2)n1 ZINC000886613880 1303524836 /nfs/dbraw/zinc/52/48/36/1303524836.db2.gz HMTLPQBTFFZVDS-CYBMUJFWSA-N -1 3 330.407 3.081 20 10 EGCDHM C[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774379860 1303804513 /nfs/dbraw/zinc/80/45/13/1303804513.db2.gz GPPKAVYWDSFMEH-SFYZADRCSA-N -1 3 342.230 3.432 20 10 EGCDHM COc1c([O-])c(CN2CCC[C@@H]2c2ccccn2)ccc1[N+](=O)[O-] ZINC000774834751 1303864456 /nfs/dbraw/zinc/86/44/56/1303864456.db2.gz XVDSOYDXMLXPKL-CQSZACIVSA-N -1 3 329.356 3.041 20 10 EGCDHM COC(=O)c1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1C ZINC000775055455 1303895916 /nfs/dbraw/zinc/89/59/16/1303895916.db2.gz DVCNTUYLZHAFFF-UHFFFAOYSA-N -1 3 346.339 3.016 20 10 EGCDHM COc1c([O-])c(CN2CCCc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000775058417 1303897547 /nfs/dbraw/zinc/89/75/47/1303897547.db2.gz YNZWCOCCCJWMLR-UHFFFAOYSA-N -1 3 332.331 3.401 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCOCC3(CCCC3)C2)c1[O-] ZINC000776010205 1304078393 /nfs/dbraw/zinc/07/83/93/1304078393.db2.gz ZEKBEZNKPFIGMM-UHFFFAOYSA-N -1 3 340.807 3.346 20 10 EGCDHM CC(C)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2[nH]1 ZINC000776647620 1304182804 /nfs/dbraw/zinc/18/28/04/1304182804.db2.gz KFBLASHRFUBQPP-OAHLLOKOSA-N -1 3 339.395 3.491 20 10 EGCDHM CCOC(=O)[C@H](Cc1ccccc1)NCc1cc(Cl)ccc1[O-] ZINC000779431978 1304571018 /nfs/dbraw/zinc/57/10/18/1304571018.db2.gz VQCWLXJKVPNNPK-INIZCTEOSA-N -1 3 333.815 3.310 20 10 EGCDHM COC(=O)[C@H]1CCCCCN1Cc1cc(Br)ccc1[O-] ZINC000781528645 1304839650 /nfs/dbraw/zinc/83/96/50/1304839650.db2.gz ZTIRKKPLQJATLJ-CYBMUJFWSA-N -1 3 342.233 3.072 20 10 EGCDHM O=C(Nc1ccc(OCc2ccccc2)nc1)c1cccc(O)c1[O-] ZINC000790554340 1306351315 /nfs/dbraw/zinc/35/13/15/1306351315.db2.gz MCPPHLYKZJNPOF-UHFFFAOYSA-N -1 3 336.347 3.324 20 10 EGCDHM COCCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1Cl ZINC000790563422 1306352128 /nfs/dbraw/zinc/35/21/28/1306352128.db2.gz FMQJGUTUKGHEQV-UHFFFAOYSA-N -1 3 337.759 3.029 20 10 EGCDHM Cc1noc(C[C@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000897577246 1310391238 /nfs/dbraw/zinc/39/12/38/1310391238.db2.gz QCLAARXGWKCTKO-LLVKDONJSA-N -1 3 339.798 3.331 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2ccccc2N(C)C)c1[O-] ZINC000808785301 1317734133 /nfs/dbraw/zinc/73/41/33/1317734133.db2.gz BNNHWALCRWGWHJ-UHFFFAOYSA-N -1 3 330.403 3.432 20 10 EGCDHM CC[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](CC)CN1C(C)=O ZINC000816515614 1319170479 /nfs/dbraw/zinc/17/04/79/1319170479.db2.gz FOSALRYRARJEMM-UONOGXRCSA-N -1 3 342.842 3.406 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000816567314 1319184753 /nfs/dbraw/zinc/18/47/53/1319184753.db2.gz XHNLHYYTWXOVQY-GFCCVEGCSA-N -1 3 343.826 3.202 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC=C(c3ccccn3)C2)c1[O-] ZINC000821332091 1320007398 /nfs/dbraw/zinc/00/73/98/1320007398.db2.gz KMQSKIYQMBGXSP-UHFFFAOYSA-N -1 3 326.371 3.418 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN[C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000825017655 1320303901 /nfs/dbraw/zinc/30/39/01/1320303901.db2.gz WOVDSCIWKPAPMR-MFKMUULPSA-N -1 3 336.233 3.455 20 10 EGCDHM Cc1noc([C@H]2CCCN2Cc2ccc(Br)cc2[O-])n1 ZINC000825899462 1320369384 /nfs/dbraw/zinc/36/93/84/1320369384.db2.gz CHHFHJJWXLAQTO-GFCCVEGCSA-N -1 3 338.205 3.183 20 10 EGCDHM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000839921798 1320997021 /nfs/dbraw/zinc/99/70/21/1320997021.db2.gz JZFPVVGCRPHEIH-AWEZNQCLSA-N -1 3 344.430 3.196 20 10 EGCDHM CC[C@@H](NCc1ccccc1S(C)(=O)=O)c1ccc(F)cc1[O-] ZINC000840865684 1321165179 /nfs/dbraw/zinc/16/51/79/1321165179.db2.gz HNKFKWCFAHZBAA-OAHLLOKOSA-N -1 3 337.416 3.176 20 10 EGCDHM C[C@@H](N[C@@H](C)c1csnn1)c1ccc(Br)cc1[O-] ZINC000840886413 1321171265 /nfs/dbraw/zinc/17/12/65/1321171265.db2.gz VNUZMUXIYJFAPX-SFYZADRCSA-N -1 3 328.235 3.418 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+](CC(=O)[O-])CC(C)(C)C)c1[O-] ZINC000854244083 1325234824 /nfs/dbraw/zinc/23/48/24/1325234824.db2.gz OXYAHNLFCDFBAD-UHFFFAOYSA-N -1 3 344.249 3.396 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1[O-] ZINC000854244083 1325234832 /nfs/dbraw/zinc/23/48/32/1325234832.db2.gz OXYAHNLFCDFBAD-UHFFFAOYSA-N -1 3 344.249 3.396 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCc2ncsc2C1 ZINC000862337240 1329476067 /nfs/dbraw/zinc/47/60/67/1329476067.db2.gz RNPZDCOMRNZLFQ-UHFFFAOYSA-N -1 3 325.231 3.170 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCc2c(O)cccc2C1 ZINC000862529471 1329492757 /nfs/dbraw/zinc/49/27/57/1329492757.db2.gz LKLLVBKGEUNXLE-UHFFFAOYSA-N -1 3 334.213 3.419 20 10 EGCDHM C[C@@]1(CO)CCCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233028168 1376557147 /nfs/dbraw/zinc/55/71/47/1376557147.db2.gz JITVXZUPYCYDML-OAHLLOKOSA-N -1 3 346.240 3.278 20 10 EGCDHM CCOC[C@@H](C)Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229543170 1375852998 /nfs/dbraw/zinc/85/29/98/1375852998.db2.gz WKVVPUQXEWSZBV-GFCCVEGCSA-N -1 3 340.375 3.280 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCN2CCc3ccccc3[C@H]2C1 ZINC001231914852 1376350865 /nfs/dbraw/zinc/35/08/65/1376350865.db2.gz SOPVBWMYXQQBQJ-GOSISDBHSA-N -1 3 328.843 3.461 20 10 EGCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCCC23CC3)c1 ZINC001233306139 1376608165 /nfs/dbraw/zinc/60/81/65/1376608165.db2.gz GUESDJVFOJFPSE-UHFFFAOYSA-N -1 3 340.217 3.070 20 10 EGCDHM Cc1nc([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3[O-])C2)no1 ZINC001233416056 1376641585 /nfs/dbraw/zinc/64/15/85/1376641585.db2.gz UTGSKYJXTAKIFM-LBPRGKRZSA-N -1 3 341.333 3.482 20 10 EGCDHM C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1Cc1c([O-])cccc1F ZINC001137838890 1377626900 /nfs/dbraw/zinc/62/69/00/1377626900.db2.gz MDZOINGRBODWLE-CHWSQXEVSA-N -1 3 338.423 3.409 20 10 EGCDHM [O-]c1c(F)cccc1CN1CCCn2cnc(COCC3CC3)c2C1 ZINC001138126891 1377681250 /nfs/dbraw/zinc/68/12/50/1377681250.db2.gz LTONXRJZVOKEPA-UHFFFAOYSA-N -1 3 345.418 3.060 20 10 EGCDHM [O-]c1c(F)cccc1CN1CCN(c2nccc3ccccc32)CC1 ZINC001138127925 1377681626 /nfs/dbraw/zinc/68/16/26/1377681626.db2.gz WFNVSPWBLZXGRH-UHFFFAOYSA-N -1 3 337.398 3.402 20 10 EGCDHM CCCCCN1CCN(Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139129326 1377835295 /nfs/dbraw/zinc/83/52/95/1377835295.db2.gz WASACNZGLWTXLV-UHFFFAOYSA-N -1 3 344.455 3.115 20 10 EGCDHM [O-]c1c(F)ccc(F)c1CN(Cc1cccnc1)C1CCOCC1 ZINC001139683582 1377933747 /nfs/dbraw/zinc/93/37/47/1377933747.db2.gz NFMUWXDMLDHSHO-UHFFFAOYSA-N -1 3 334.366 3.247 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001140338153 1378048726 /nfs/dbraw/zinc/04/87/26/1378048726.db2.gz XNZWIGFOGXMDGN-LBPRGKRZSA-N -1 3 340.851 3.487 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1Cc2cnn(C3CCOCC3)c2C1 ZINC001140341657 1378049038 /nfs/dbraw/zinc/04/90/38/1378049038.db2.gz AKMRBTMXDFIVMV-UHFFFAOYSA-N -1 3 333.819 3.109 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2Cl)[C@@H]2C[C@@H]21 ZINC001140339531 1378049070 /nfs/dbraw/zinc/04/90/70/1378049070.db2.gz WIAXSSSYXDYDSC-KGLIPLIRSA-N -1 3 338.835 3.239 20 10 EGCDHM CCn1cc2c(n1)CN(Cc1ccc(Cl)cc1[O-])C[C@@H]2COC ZINC001140462574 1378066905 /nfs/dbraw/zinc/06/69/05/1378066905.db2.gz IKRZSZKDBCRWEF-CYBMUJFWSA-N -1 3 335.835 3.008 20 10 EGCDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC001140462473 1378067087 /nfs/dbraw/zinc/06/70/87/1378067087.db2.gz GYRNPHGMBVXQHU-GFCCVEGCSA-N -1 3 340.851 3.487 20 10 EGCDHM Cc1ccnc(O[C@H]2CCCN(Cc3c([O-])cc(F)cc3F)C2)c1 ZINC001140585512 1378090412 /nfs/dbraw/zinc/09/04/12/1378090412.db2.gz LVMHJSLMMXMOCC-AWEZNQCLSA-N -1 3 334.366 3.417 20 10 EGCDHM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508714 1378451201 /nfs/dbraw/zinc/45/12/01/1378451201.db2.gz IZALWBMUDGDISW-LBPRGKRZSA-N -1 3 342.386 3.160 20 10 EGCDHM [O-]c1cc(F)c(F)cc1CN1CCN(C2(c3ccccc3)CC2)CC1 ZINC001142531415 1378454654 /nfs/dbraw/zinc/45/46/54/1378454654.db2.gz WSZGNGBILVXBFQ-UHFFFAOYSA-N -1 3 344.405 3.477 20 10 EGCDHM COC[C@H]1CCCCN1Cc1cc(Br)c(F)cc1[O-] ZINC001144299020 1378713420 /nfs/dbraw/zinc/71/34/20/1378713420.db2.gz OWOXZCCELNIULU-LLVKDONJSA-N -1 3 332.213 3.295 20 10 EGCDHM O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(O)c1[O-] ZINC001148220162 1379134934 /nfs/dbraw/zinc/13/49/34/1379134934.db2.gz UWCYRWKBHXCBGZ-UHFFFAOYSA-N -1 3 346.346 3.288 20 10 EGCDHM CCN(CC)c1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)c(C)c1 ZINC001148586053 1379217737 /nfs/dbraw/zinc/21/77/37/1379217737.db2.gz GNHWECUOPCKWKO-UHFFFAOYSA-N -1 3 330.384 3.210 20 10 EGCDHM Cn1ccc2cnc(NCc3cc(Cl)c4cccnc4c3[O-])nc21 ZINC001168527098 1383930218 /nfs/dbraw/zinc/93/02/18/1383930218.db2.gz CSQSJKVIBCARAE-UHFFFAOYSA-N -1 3 339.786 3.488 20 10 EGCDHM C[C@](CCF)([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001592507415 978326314 /nfs/dbraw/zinc/32/63/14/978326314.db2.gz RZXMXALAULZTJY-LJQANCHMSA-N -1 3 347.386 3.264 20 10 EGCDHM CCOCc1cc(CN[C@H](C(=O)[O-])c2ccccc2)ccc1OC ZINC000841795056 979311623 /nfs/dbraw/zinc/31/16/23/979311623.db2.gz FYFHMWAVOIMIFD-SFHVURJKSA-N -1 3 329.396 3.147 20 10 EGCDHM COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599600778 993812582 /nfs/dbraw/zinc/81/25/82/993812582.db2.gz NBRDEFHYIXOYPA-CHWSQXEVSA-N -1 3 345.395 3.217 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)[O-])c1[O-] ZINC001599421034 997595071 /nfs/dbraw/zinc/59/50/71/997595071.db2.gz YGKJSOQSWWVWQC-BLLLJJGKSA-N -1 3 327.808 3.177 20 10 EGCDHM COc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])cc1Cl ZINC001599530631 997645814 /nfs/dbraw/zinc/64/58/14/997645814.db2.gz DOBQFKUQCXIDSO-OAHLLOKOSA-N -1 3 339.750 3.109 20 10 EGCDHM COc1cc(Cl)cc(CN2CCc3nc(C4CC4)ncc3C2)c1[O-] ZINC000529665036 313380767 /nfs/dbraw/zinc/38/07/67/313380767.db2.gz ISSGRUNQLJTNOA-UHFFFAOYSA-N -1 3 345.830 3.280 20 10 EGCDHM CCN(Cc1ccnn1CC)Cc1cc(Br)ccc1[O-] ZINC000180221292 455149223 /nfs/dbraw/zinc/14/92/23/455149223.db2.gz HGIFPZQNWQHHFP-UHFFFAOYSA-N -1 3 338.249 3.393 20 10 EGCDHM CN(Cc1c([O-])cccc1Cl)C[C@@H](O)COCc1ccccc1 ZINC000119584090 454205972 /nfs/dbraw/zinc/20/59/72/454205972.db2.gz AFLPQECVISXSNE-OAHLLOKOSA-N -1 3 335.831 3.055 20 10 EGCDHM CCCN(CC(=O)Nc1nnc(C(C)C)s1)Cc1ccccc1[O-] ZINC000137009724 454765080 /nfs/dbraw/zinc/76/50/80/454765080.db2.gz MSYJQLSYOJIESG-UHFFFAOYSA-N -1 3 348.472 3.218 20 10 EGCDHM COc1cc(Cl)c(C)cc1NC(=O)CN(C)Cc1ccccc1[O-] ZINC000109770288 454835820 /nfs/dbraw/zinc/83/58/20/454835820.db2.gz JYMFGBYYYRYTFD-UHFFFAOYSA-N -1 3 348.830 3.433 20 10 EGCDHM Cc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c([O-])c1O ZINC000177669415 454889852 /nfs/dbraw/zinc/88/98/52/454889852.db2.gz JSYKPRLXXLLRKA-UHFFFAOYSA-N -1 3 339.391 3.141 20 10 EGCDHM CCCNC(=O)c1cccc(CNCc2c([O-])cccc2Cl)c1 ZINC000113323266 454922607 /nfs/dbraw/zinc/92/26/07/454922607.db2.gz BIDXTQQIRVYSHV-UHFFFAOYSA-N -1 3 332.831 3.475 20 10 EGCDHM Cc1cccc(NC2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c1 ZINC000179514493 455054261 /nfs/dbraw/zinc/05/42/61/455054261.db2.gz NTUBNSFSZLQADX-UHFFFAOYSA-N -1 3 340.423 3.431 20 10 EGCDHM Cc1ccc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c([O-])c1O ZINC000182897715 455186582 /nfs/dbraw/zinc/18/65/82/455186582.db2.gz HMTYMACXGPQKNX-RHSMWYFYSA-N -1 3 341.407 3.304 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCCCOC ZINC000175843760 455505196 /nfs/dbraw/zinc/50/51/96/455505196.db2.gz WTGRCMOKDVJBKZ-UHFFFAOYSA-N -1 3 344.249 3.320 20 10 EGCDHM Cc1ccc(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c([O-])c1O ZINC000182530660 455534148 /nfs/dbraw/zinc/53/41/48/455534148.db2.gz ATYPHCSDKUOGAS-NSHDSACASA-N -1 3 345.399 3.328 20 10 EGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000267836930 455555997 /nfs/dbraw/zinc/55/59/97/455555997.db2.gz YYAAISFHFCVDQW-UHFFFAOYSA-N -1 3 333.409 3.215 20 10 EGCDHM C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000186195569 455714514 /nfs/dbraw/zinc/71/45/14/455714514.db2.gz OCUASCBSOQCXIN-KSSFIOAISA-N -1 3 342.414 3.373 20 10 EGCDHM CC(C)Oc1cc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)ccn1 ZINC000193146713 455744530 /nfs/dbraw/zinc/74/45/30/455744530.db2.gz ZWGDKCKJPRINCV-UHFFFAOYSA-N -1 3 342.395 3.085 20 10 EGCDHM CC[C@](C)(NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1nccs1 ZINC000278504268 455837253 /nfs/dbraw/zinc/83/72/53/455837253.db2.gz OPZQCSHNKKQOSS-HNNXBMFYSA-N -1 3 337.401 3.181 20 10 EGCDHM [O-]c1cc2c(cc1CN(CCC(F)(F)F)CC(F)(F)F)OCO2 ZINC000279782056 455873652 /nfs/dbraw/zinc/87/36/52/455873652.db2.gz NRSMAZFFXYVDCY-UHFFFAOYSA-N -1 3 345.239 3.438 20 10 EGCDHM C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271173929 456154284 /nfs/dbraw/zinc/15/42/84/456154284.db2.gz FLCVMAYYDRJQDG-GGOJBBCOSA-N -1 3 329.465 3.401 20 10 EGCDHM CCc1ccc([C@H](COC)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])o1 ZINC000273614559 456241552 /nfs/dbraw/zinc/24/15/52/456241552.db2.gz WYGNJPYXOPOBLL-LRDDRELGSA-N -1 3 347.411 3.373 20 10 EGCDHM CCOc1cc2c(cc1NC(=O)c1cccc(O)c1[O-])O[C@@H](C)C2 ZINC000274936568 456268388 /nfs/dbraw/zinc/26/83/88/456268388.db2.gz DETRFPBLIFGRPF-JTQLQIEISA-N -1 3 329.352 3.072 20 10 EGCDHM Cc1cc(Br)cc([C@@H](C)N[C@@H](C)c2ncn(C)n2)c1[O-] ZINC000275789448 456314678 /nfs/dbraw/zinc/31/46/78/456314678.db2.gz WYEZMMIUVACQRS-ZJUUUORDSA-N -1 3 339.237 3.003 20 10 EGCDHM COc1ccc(O)c(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000371480243 457954660 /nfs/dbraw/zinc/95/46/60/457954660.db2.gz NCYZWBNYDXBALI-UHFFFAOYSA-N -1 3 341.407 3.201 20 10 EGCDHM CCOc1ccc(CN2CCc3nc(C4CC4)ncc3C2)c([O-])c1 ZINC000529666219 459833056 /nfs/dbraw/zinc/83/30/56/459833056.db2.gz SDWJQFQTVDBSDL-UHFFFAOYSA-N -1 3 325.412 3.017 20 10 EGCDHM CCCC[C@H](C(=O)Nc1cc(C)on1)N(C)Cc1ccccc1[O-] ZINC000731843493 575211925 /nfs/dbraw/zinc/21/19/25/575211925.db2.gz KMABIPBJNSQESX-OAHLLOKOSA-N -1 3 331.416 3.318 20 10 EGCDHM CC(C)[C@@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ccccc1F ZINC000732354520 575261617 /nfs/dbraw/zinc/26/16/17/575261617.db2.gz UDDPDKTVGKLFAF-CQSZACIVSA-N -1 3 337.372 3.413 20 10 EGCDHM CCn1ccnc1CN[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000738431342 576325241 /nfs/dbraw/zinc/32/52/41/576325241.db2.gz OYJTVGLNQYJORB-INIZCTEOSA-N -1 3 348.878 3.016 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000738549116 576335877 /nfs/dbraw/zinc/33/58/77/576335877.db2.gz OKTVXOSHSVWAHI-GFCCVEGCSA-N -1 3 333.384 3.328 20 10 EGCDHM CC1=C(C(=O)[O-])C[C@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000833583289 605337974 /nfs/dbraw/zinc/33/79/74/605337974.db2.gz JDLNYMRONKVCRK-MRXNPFEDSA-N -1 3 331.412 3.284 20 10 EGCDHM CC1=C(C(=O)[O-])C[C@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000833583289 605337981 /nfs/dbraw/zinc/33/79/81/605337981.db2.gz JDLNYMRONKVCRK-MRXNPFEDSA-N -1 3 331.412 3.284 20 10 EGCDHM O=[N+]([O-])c1cccc(N2CCN(Cc3c([O-])cccc3Cl)CC2)c1 ZINC000768902453 1303009563 /nfs/dbraw/zinc/00/95/63/1303009563.db2.gz SGJBOYYZPFKCAO-UHFFFAOYSA-N -1 3 347.802 3.276 20 10 EGCDHM Cc1ncn(-c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)c1C ZINC000794808259 1309598602 /nfs/dbraw/zinc/59/86/02/1309598602.db2.gz RAVXDMXQJZGBMS-UHFFFAOYSA-N -1 3 337.379 3.461 20 10 EGCDHM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000040418713 1291410050 /nfs/dbraw/zinc/41/00/50/1291410050.db2.gz BVKDKLHEHHGAOY-UHFFFAOYSA-N -1 3 342.214 3.264 20 10 EGCDHM O=C1/C(=C\c2ccc([O-])c(F)c2)SC(=S)N1c1cccnc1 ZINC000158732845 1294213092 /nfs/dbraw/zinc/21/30/92/1294213092.db2.gz NFXYROJHCSDIFL-NTUHNPAUSA-N -1 3 332.381 3.332 20 10 EGCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(OC(F)F)c(Cl)c1 ZINC000192710193 1295790837 /nfs/dbraw/zinc/79/08/37/1295790837.db2.gz YFWAYMOYGTWYFV-UHFFFAOYSA-N -1 3 349.742 3.448 20 10 EGCDHM COc1cc(OC)c(NC(=O)c2ccc(C)c(O)c2[O-])cc1Cl ZINC000751533571 1299563865 /nfs/dbraw/zinc/56/38/65/1299563865.db2.gz PHMVXYHSGMNSBY-UHFFFAOYSA-N -1 3 337.759 3.329 20 10 EGCDHM CCOC(=O)CN(Cc1cc(Br)ccc1[O-])CC(C)C ZINC000768755868 1302971784 /nfs/dbraw/zinc/97/17/84/1302971784.db2.gz SEJRHNRAZBBACK-UHFFFAOYSA-N -1 3 344.249 3.176 20 10 EGCDHM CN(Cc1cnn(-c2ccccc2)n1)Cc1cc(Cl)ccc1[O-] ZINC000768781974 1302977562 /nfs/dbraw/zinc/97/75/62/1302977562.db2.gz LFWANGLWUPQUNB-UHFFFAOYSA-N -1 3 328.803 3.258 20 10 EGCDHM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1[O-] ZINC000771924773 1303461568 /nfs/dbraw/zinc/46/15/68/1303461568.db2.gz PVBTXXJMUQLQFB-INIZCTEOSA-N -1 3 331.799 3.146 20 10 EGCDHM C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1c([O-])cccc1F ZINC000886566375 1303504558 /nfs/dbraw/zinc/50/45/58/1303504558.db2.gz PICPCKYCMCHGIR-GFCCVEGCSA-N -1 3 332.375 3.171 20 10 EGCDHM C[C@H](N[C@H](CCO)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000886801840 1303603159 /nfs/dbraw/zinc/60/31/59/1303603159.db2.gz TXPJTXQPZHYIQP-WRWORJQWSA-N -1 3 342.155 3.119 20 10 EGCDHM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000776637662 1304181397 /nfs/dbraw/zinc/18/13/97/1304181397.db2.gz DCGPWDIWQLTULL-UHFFFAOYSA-N -1 3 337.335 3.241 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893985268 1306164183 /nfs/dbraw/zinc/16/41/83/1306164183.db2.gz ZWFLTPKAUQMOKV-NSHDSACASA-N -1 3 342.386 3.017 20 10 EGCDHM O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1cccc(O)c1[O-] ZINC000790589525 1306356777 /nfs/dbraw/zinc/35/67/77/1306356777.db2.gz JKLJBTPCOIUAIL-UHFFFAOYSA-N -1 3 330.771 3.205 20 10 EGCDHM C[C@@H](O)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894430276 1308876348 /nfs/dbraw/zinc/87/63/48/1308876348.db2.gz CWUYPYZTKYWXFT-BDAKNGLRSA-N -1 3 334.641 3.011 20 10 EGCDHM CO[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1C ZINC000894905890 1309122255 /nfs/dbraw/zinc/12/22/55/1309122255.db2.gz WMSKNFIVMQTZPR-ZANVPECISA-N -1 3 332.213 3.151 20 10 EGCDHM CC[C@@H](NCc1nncn1-c1ccccc1)c1ccc(F)cc1[O-] ZINC000796697165 1310066259 /nfs/dbraw/zinc/06/62/59/1310066259.db2.gz UMNMPQXGZYVTBB-MRXNPFEDSA-N -1 3 326.375 3.353 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000826023846 1320379740 /nfs/dbraw/zinc/37/97/40/1320379740.db2.gz INYPVEDSKVJWFW-CVEARBPZSA-N -1 3 338.245 3.298 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1[O-] ZINC000839632325 1320948365 /nfs/dbraw/zinc/94/83/65/1320948365.db2.gz GJDFNVKWECUWJE-FUHWJXTLSA-N -1 3 329.371 3.042 20 10 EGCDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc3c(c2)CCCO3)cc1 ZINC000900026443 1317221398 /nfs/dbraw/zinc/22/13/98/1317221398.db2.gz QFJPPDFPCQWQJZ-SFHVURJKSA-N -1 3 341.407 3.326 20 10 EGCDHM C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683219 1318619057 /nfs/dbraw/zinc/61/90/57/1318619057.db2.gz XRSVQZMTOKGFLV-AOOOYVTPSA-N -1 3 331.243 3.188 20 10 EGCDHM [O-]c1c(CNCc2ncn(-c3ccccc3)n2)ccc2ccccc21 ZINC000816665065 1319204525 /nfs/dbraw/zinc/20/45/25/1319204525.db2.gz QQALLOVSNBSFTL-UHFFFAOYSA-N -1 3 330.391 3.416 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1[O-] ZINC000817881703 1319450785 /nfs/dbraw/zinc/45/07/85/1319450785.db2.gz MTNLIZCQRVIYIE-JOYOIKCWSA-N -1 3 342.233 3.006 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1[O-] ZINC000817881703 1319450794 /nfs/dbraw/zinc/45/07/94/1319450794.db2.gz MTNLIZCQRVIYIE-JOYOIKCWSA-N -1 3 342.233 3.006 20 10 EGCDHM CCO[C@H](C)c1noc(CN(C)Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000824884095 1320293935 /nfs/dbraw/zinc/29/39/35/1320293935.db2.gz UCUJATVMXKETHY-LLVKDONJSA-N -1 3 339.823 3.467 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN[C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000825017654 1320304380 /nfs/dbraw/zinc/30/43/80/1320304380.db2.gz WOVDSCIWKPAPMR-GXFFZTMASA-N -1 3 336.233 3.455 20 10 EGCDHM COC(=O)[C@]1(C)CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000839666357 1320956406 /nfs/dbraw/zinc/95/64/06/1320956406.db2.gz LIXIFLRCKZJNBO-QGZVFWFLSA-N -1 3 339.819 3.023 20 10 EGCDHM Cc1cc([O-])c([C@@H]2NC(=O)[C@H]3c4ccccc4CCN23)cc1Cl ZINC000849182770 1322094289 /nfs/dbraw/zinc/09/42/89/1322094289.db2.gz NBDKPZJZAZKFOT-IAGOWNOFSA-N -1 3 328.799 3.082 20 10 EGCDHM O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)c1cccc(O)c1[O-] ZINC000855204000 1325363753 /nfs/dbraw/zinc/36/37/53/1325363753.db2.gz KVKCKLRGXHIMOZ-GFCCVEGCSA-N -1 3 346.814 3.008 20 10 EGCDHM C/C=C/C[C@H](NCc1c([O-])cccc1Br)C(=O)OCC ZINC000862345886 1329476261 /nfs/dbraw/zinc/47/62/61/1329476261.db2.gz GSOXEDHCAIRCKQ-LQPUYASZSA-N -1 3 342.233 3.142 20 10 EGCDHM COC(=O)[C@@H](C)N(Cc1c([O-])cccc1Br)C1CCC1 ZINC000862341692 1329476583 /nfs/dbraw/zinc/47/65/83/1329476583.db2.gz XPPNASUQVXSLJH-SNVBAGLBSA-N -1 3 342.233 3.071 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCOC[C@H]1C1CCC1 ZINC000862400286 1329482738 /nfs/dbraw/zinc/48/27/38/1329482738.db2.gz SFSNUHFGJXPCSE-AWEZNQCLSA-N -1 3 326.234 3.156 20 10 EGCDHM CC(C)CN1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233028184 1376556184 /nfs/dbraw/zinc/55/61/84/1376556184.db2.gz JZCXOVNBALDTOT-UHFFFAOYSA-N -1 3 345.256 3.067 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CC2(CN(Cc3ccccc3)C2)C1 ZINC001183301231 1387294339 /nfs/dbraw/zinc/29/43/39/1387294339.db2.gz UHDHUXSTJMUZRZ-UHFFFAOYSA-N -1 3 328.843 3.363 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001215325109 1373197957 /nfs/dbraw/zinc/19/79/57/1373197957.db2.gz BABUBZVTPBFTLB-UHFFFAOYSA-N -1 3 340.669 3.452 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC001215325436 1373198134 /nfs/dbraw/zinc/19/81/34/1373198134.db2.gz SLNHXWFXXHTEIQ-UHFFFAOYSA-N -1 3 336.250 3.122 20 10 EGCDHM C[C@H]1CC[C@@H](COc2cccc3c2C(=O)c2cccc([O-])c2C3=O)O1 ZINC001229185928 1375783306 /nfs/dbraw/zinc/78/33/06/1375783306.db2.gz DNIDKDYDSSGZCB-RYUDHWBXSA-N -1 3 338.359 3.114 20 10 EGCDHM CN(CC1CN(Cc2cccc(Cl)c2[O-])C1)C(=O)OC(C)(C)C ZINC001231910858 1376345266 /nfs/dbraw/zinc/34/52/66/1376345266.db2.gz UHMNKOPWGULQSL-UHFFFAOYSA-N -1 3 340.851 3.344 20 10 EGCDHM Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3cccc(Cl)c3[O-])O2)n1 ZINC001231910091 1376346421 /nfs/dbraw/zinc/34/64/21/1376346421.db2.gz KOJUWDMBBHCLKM-RBSFLKMASA-N -1 3 349.818 3.232 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCN2CCc3ccccc3[C@@H]2C1 ZINC001231914853 1376351540 /nfs/dbraw/zinc/35/15/40/1376351540.db2.gz SOPVBWMYXQQBQJ-SFHVURJKSA-N -1 3 328.843 3.461 20 10 EGCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H](C)C2)c1 ZINC001233305958 1376607697 /nfs/dbraw/zinc/60/76/97/1376607697.db2.gz ZYBOZJLABSPFRB-JTQLQIEISA-N -1 3 342.233 3.173 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])ccc(F)c2F)CCN1Cc1ccccc1 ZINC001233336017 1376617666 /nfs/dbraw/zinc/61/76/66/1376617666.db2.gz VKUJKFXNIIMNTL-AWEZNQCLSA-N -1 3 332.394 3.377 20 10 EGCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CC(F)(F)CC[C@H]1CO ZINC001233452177 1376649636 /nfs/dbraw/zinc/64/96/36/1376649636.db2.gz MYMNMVXGIGUSMW-NSHDSACASA-N -1 3 325.277 3.003 20 10 EGCDHM COCc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])o1 ZINC001189266492 1388501299 /nfs/dbraw/zinc/50/12/99/1388501299.db2.gz SVZWYCYBAGCSPA-UHFFFAOYSA-N -1 3 346.770 3.263 20 10 EGCDHM [O-]c1cccc(F)c1CN1CCN(c2nsc3ccccc32)CC1 ZINC001137832666 1377623916 /nfs/dbraw/zinc/62/39/16/1377623916.db2.gz CXCLFYVIHXXTCR-UHFFFAOYSA-N -1 3 343.427 3.463 20 10 EGCDHM O=C1Nc2ccccc2CN1[C@H]1CCN(Cc2c([O-])cccc2F)C1 ZINC001137841591 1377628205 /nfs/dbraw/zinc/62/82/05/1377628205.db2.gz LOOQIUBLKREKMC-AWEZNQCLSA-N -1 3 341.386 3.153 20 10 EGCDHM O=C(N[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1)c1ccc(F)cc1 ZINC001138130837 1377682672 /nfs/dbraw/zinc/68/26/72/1377682672.db2.gz JBYMTLYNTBHAOF-MRXNPFEDSA-N -1 3 346.377 3.065 20 10 EGCDHM CC(C)(C)OC(=O)C[C@@H]1CCCN1Cc1c(F)ccc(F)c1[O-] ZINC001139687255 1377934688 /nfs/dbraw/zinc/93/46/88/1377934688.db2.gz JYNZECYXJRZNNB-NSHDSACASA-N -1 3 327.371 3.367 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCO[C@@H](c2ccccn2)C1 ZINC001140100963 1378007830 /nfs/dbraw/zinc/00/78/30/1378007830.db2.gz GFFNIFPTXIFHRX-MRXNPFEDSA-N -1 3 349.228 3.123 20 10 EGCDHM O=C1c2ccccc2[C@H]2CN(Cc3c([O-])cccc3Cl)CCN12 ZINC001140338221 1378048599 /nfs/dbraw/zinc/04/85/99/1378048599.db2.gz BHPDFLRLCZFCQQ-MRXNPFEDSA-N -1 3 328.799 3.058 20 10 EGCDHM Cc1cccc(N2CCCN(Cc3c([O-])cc(F)cc3F)CC2)n1 ZINC001140584066 1378090616 /nfs/dbraw/zinc/09/06/16/1378090616.db2.gz FJAHQIIIUSZJIU-UHFFFAOYSA-N -1 3 333.382 3.086 20 10 EGCDHM COC(CN(Cc1ccccc1)Cc1cc(F)c(F)cc1[O-])OC ZINC001142509156 1378451466 /nfs/dbraw/zinc/45/14/66/1378451466.db2.gz YXHIDRLLZZNCSE-UHFFFAOYSA-N -1 3 337.366 3.292 20 10 EGCDHM CC(C)(C)OC(=O)C[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530411 1378454624 /nfs/dbraw/zinc/45/46/24/1378454624.db2.gz HDDFGQDURYAMPJ-LLVKDONJSA-N -1 3 327.371 3.224 20 10 EGCDHM O=C(N[C@H](c1ccccc1)C1CCCC1)c1cc(O)c([O-])c(O)c1 ZINC001148589588 1379218676 /nfs/dbraw/zinc/21/86/76/1379218676.db2.gz CUGUQFLGXHQXOG-QGZVFWFLSA-N -1 3 327.380 3.465 20 10 EGCDHM Cc1ccc2ncc([O-])c(C(=O)N3CCc4cccc(O)c4C3)c2c1 ZINC001154530346 1380298599 /nfs/dbraw/zinc/29/85/99/1380298599.db2.gz GHROJKXEOYWCGK-UHFFFAOYSA-N -1 3 334.375 3.153 20 10 EGCDHM COc1cc(NCc2cc(Cl)c3cccnc3c2[O-])nc(OC)n1 ZINC001157724974 1381015887 /nfs/dbraw/zinc/01/58/87/1381015887.db2.gz ZONQBYQDKHPTFC-UHFFFAOYSA-N -1 3 346.774 3.013 20 10 EGCDHM COCc1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157726299 1381016139 /nfs/dbraw/zinc/01/61/39/1381016139.db2.gz JJDAPISVJWOWMD-UHFFFAOYSA-N -1 3 330.775 3.142 20 10 EGCDHM CCOc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001157724934 1381016295 /nfs/dbraw/zinc/01/62/95/1381016295.db2.gz YULPMZITMUNHHD-UHFFFAOYSA-N -1 3 330.775 3.395 20 10 EGCDHM COc1ccc(C(=O)[N-]c2c3nonc3ccc2Cl)cc1[N+](=O)[O-] ZINC001321389649 1386892516 /nfs/dbraw/zinc/89/25/16/1386892516.db2.gz YHQRZZZEJODRLU-UHFFFAOYSA-N -1 3 348.702 3.045 20 10 EGCDHM C[C@H](C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001592584810 978504772 /nfs/dbraw/zinc/50/47/72/978504772.db2.gz NRYKRBCDEPOOOU-CQSZACIVSA-N -1 3 329.396 3.124 20 10 EGCDHM C[C@H](C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001592584810 978504779 /nfs/dbraw/zinc/50/47/79/978504779.db2.gz NRYKRBCDEPOOOU-CQSZACIVSA-N -1 3 329.396 3.124 20 10 EGCDHM C[C@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256324 994521713 /nfs/dbraw/zinc/52/17/13/994521713.db2.gz HPEZVWXZIFSGJX-DZGCQCFKSA-N -1 3 349.427 3.207 20 10 EGCDHM COc1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])cc1O ZINC000079438529 454414408 /nfs/dbraw/zinc/41/44/08/454414408.db2.gz CTHOKDHOFUBKAC-UHFFFAOYSA-N -1 3 333.359 3.080 20 10 EGCDHM COCCN(Cc1cc(Br)ccc1[O-])CC(F)(F)F ZINC000092645530 454599253 /nfs/dbraw/zinc/59/92/53/454599253.db2.gz DHBJDVXRUZLZRA-UHFFFAOYSA-N -1 3 342.155 3.165 20 10 EGCDHM O=C(NC1CCN(Cc2c([O-])cccc2Cl)CC1)c1ccccc1 ZINC000123073349 454599485 /nfs/dbraw/zinc/59/94/85/454599485.db2.gz BORSZOIDLJHQAE-UHFFFAOYSA-N -1 3 344.842 3.440 20 10 EGCDHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093420545 454715849 /nfs/dbraw/zinc/71/58/49/454715849.db2.gz PWJPEJVRQIEQEL-GJZGRUSLSA-N -1 3 347.480 3.313 20 10 EGCDHM COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1cc(F)ccc1[O-])N2 ZINC000106899603 454728942 /nfs/dbraw/zinc/72/89/42/454728942.db2.gz NNLFMROYLPZXEW-KRWDZBQOSA-N -1 3 328.343 3.269 20 10 EGCDHM CCCOc1ccc(CN(C)Cc2nccn2C(F)F)c([O-])c1 ZINC000155013642 454953698 /nfs/dbraw/zinc/95/36/98/454953698.db2.gz AHUNVBSTBFRTFY-UHFFFAOYSA-N -1 3 325.359 3.405 20 10 EGCDHM Cc1ccc(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)c([O-])c1O ZINC000179548566 455057027 /nfs/dbraw/zinc/05/70/27/455057027.db2.gz CORCMMRWMVYQON-GFCCVEGCSA-N -1 3 347.798 3.353 20 10 EGCDHM Cc1ccc(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c([O-])c1O ZINC000182897696 455186539 /nfs/dbraw/zinc/18/65/39/455186539.db2.gz HMTYMACXGPQKNX-PBHICJAKSA-N -1 3 341.407 3.304 20 10 EGCDHM Cc1ccc(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c([O-])c1O ZINC000182897677 455186589 /nfs/dbraw/zinc/18/65/89/455186589.db2.gz HMTYMACXGPQKNX-WMLDXEAASA-N -1 3 341.407 3.304 20 10 EGCDHM Cc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c([O-])c1O ZINC000182208732 455461949 /nfs/dbraw/zinc/46/19/49/455461949.db2.gz IELHKLNQYRXRBH-UHFFFAOYSA-N -1 3 344.367 3.365 20 10 EGCDHM C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000185179686 455516739 /nfs/dbraw/zinc/51/67/39/455516739.db2.gz FHKPLUMVQAPMRL-LURJTMIESA-N -1 3 345.148 3.028 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000271334196 455601927 /nfs/dbraw/zinc/60/19/27/455601927.db2.gz NQDZJZGNJZLPMX-HNAYVOBHSA-N -1 3 347.842 3.370 20 10 EGCDHM C[C@@H]1CCS(=O)(=O)CCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000277643133 455622627 /nfs/dbraw/zinc/62/26/27/455622627.db2.gz YOMDWOWQLCRZIE-OAHLLOKOSA-N -1 3 345.464 3.068 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000277987414 455727482 /nfs/dbraw/zinc/72/74/82/455727482.db2.gz ZBAFIJZIRLJOLD-UHFFFAOYSA-N -1 3 345.370 3.058 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC3(CCOCC3)CC2)c1[O-] ZINC000284977287 455771797 /nfs/dbraw/zinc/77/17/97/455771797.db2.gz INECPSTUFYBOFF-UHFFFAOYSA-N -1 3 340.807 3.346 20 10 EGCDHM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])c1 ZINC000187107996 455870678 /nfs/dbraw/zinc/87/06/78/455870678.db2.gz NUAUZLLMMRRDGY-INIZCTEOSA-N -1 3 326.396 3.141 20 10 EGCDHM CCNC(=O)c1cccc(CN[C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187670742 455936878 /nfs/dbraw/zinc/93/68/78/455936878.db2.gz SAESJCFLJGSCFV-LLVKDONJSA-N -1 3 334.366 3.271 20 10 EGCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000280436318 455971590 /nfs/dbraw/zinc/97/15/90/455971590.db2.gz JZWJXGMMSAOBOF-WMLDXEAASA-N -1 3 345.370 3.229 20 10 EGCDHM COc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1OC ZINC000273300337 456222873 /nfs/dbraw/zinc/22/28/73/456222873.db2.gz BFFAROPUZPKAKH-NSHDSACASA-N -1 3 332.356 3.168 20 10 EGCDHM COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000273364845 456225181 /nfs/dbraw/zinc/22/51/81/456225181.db2.gz DVXOWDBQSZOHLL-NSHDSACASA-N -1 3 332.356 3.168 20 10 EGCDHM C[C@@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(F)cc1[O-] ZINC000273464272 456233183 /nfs/dbraw/zinc/23/31/83/456233183.db2.gz DKTRTRIMPQSKTR-GFCCVEGCSA-N -1 3 328.387 3.274 20 10 EGCDHM Cc1ccc(C(=O)N(C)CCCOCc2ccccc2)c([O-])c1O ZINC000281545925 456262288 /nfs/dbraw/zinc/26/22/88/456262288.db2.gz KBBFCFCATJULLR-UHFFFAOYSA-N -1 3 329.396 3.085 20 10 EGCDHM C[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276933964 456625206 /nfs/dbraw/zinc/62/52/06/456625206.db2.gz OSSXUTMVWUPEPW-LRDDRELGSA-N -1 3 346.377 3.122 20 10 EGCDHM C[C@H](c1ccccc1)N(Cc1nnnn1C1CC1)Cc1ccccc1[O-] ZINC000299671337 456761001 /nfs/dbraw/zinc/76/10/01/456761001.db2.gz PIIZDQYTKAJACC-OAHLLOKOSA-N -1 3 349.438 3.477 20 10 EGCDHM O=C1CCCCN1[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000364509720 457628376 /nfs/dbraw/zinc/62/83/76/457628376.db2.gz UWFUEVKKBUUHFK-GFCCVEGCSA-N -1 3 340.826 3.162 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(c3cn[nH]c3)CC2)c1[O-] ZINC000372434292 458302369 /nfs/dbraw/zinc/30/23/69/458302369.db2.gz ZHFCJDVGKOLLCM-UHFFFAOYSA-N -1 3 336.779 3.057 20 10 EGCDHM CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(C(=O)OC)ccc1[O-] ZINC000726796970 574572042 /nfs/dbraw/zinc/57/20/42/574572042.db2.gz MGGZCPGZBKQOGG-KRWDZBQOSA-N -1 3 340.379 3.155 20 10 EGCDHM Cc1ccc([C@H](C)NC(=O)CN(C)Cc2ccccc2[O-])cc1C ZINC000731843420 575211967 /nfs/dbraw/zinc/21/19/67/575211967.db2.gz FDUOLXSYZXFATQ-INIZCTEOSA-N -1 3 326.440 3.318 20 10 EGCDHM CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)cc1 ZINC000731912598 575218993 /nfs/dbraw/zinc/21/89/93/575218993.db2.gz ULUFDZZUXVOWIV-SNVBAGLBSA-N -1 3 335.381 3.036 20 10 EGCDHM Cn1ccnc1[C@H](NC(=O)c1cc([O-])cs1)c1ccc(Cl)cc1 ZINC000732267395 575250827 /nfs/dbraw/zinc/25/08/27/575250827.db2.gz XTRLVUKMNVLZLN-CQSZACIVSA-N -1 3 347.827 3.360 20 10 EGCDHM O=C(NCc1cccc(OCc2ccccn2)c1)c1cc([O-])cs1 ZINC000732270640 575251459 /nfs/dbraw/zinc/25/14/59/575251459.db2.gz RQOYPSNZFMXPFH-UHFFFAOYSA-N -1 3 340.404 3.358 20 10 EGCDHM O=C(NCCOc1ccc(Br)cc1)c1cc([O-])cs1 ZINC000732278514 575252965 /nfs/dbraw/zinc/25/29/65/575252965.db2.gz PCFGKRIUEGIKJD-UHFFFAOYSA-N -1 3 342.214 3.025 20 10 EGCDHM O=C(NCCCc1nc(-c2ccncc2)cs1)c1cc([O-])cs1 ZINC000732284113 575255072 /nfs/dbraw/zinc/25/50/72/575255072.db2.gz IJBBQFXKYHHZCD-UHFFFAOYSA-N -1 3 345.449 3.335 20 10 EGCDHM CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000732352756 575261360 /nfs/dbraw/zinc/26/13/60/575261360.db2.gz FSOGFNXNLUZKHN-UHFFFAOYSA-N -1 3 347.392 3.232 20 10 EGCDHM O=C1OCCN1c1cccc(CNCc2c([O-])cccc2Cl)c1 ZINC000733325422 575327682 /nfs/dbraw/zinc/32/76/82/575327682.db2.gz LVTMOMDMADBNJR-UHFFFAOYSA-N -1 3 332.787 3.292 20 10 EGCDHM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1F ZINC000739425814 576410670 /nfs/dbraw/zinc/41/06/70/576410670.db2.gz QFHGAGCEPGSWJS-WJDWOHSUSA-N -1 3 338.382 3.483 20 10 EGCDHM CCO[C@@H](C)c1noc(CN(C)Cc2c([O-])ccc3ccncc32)n1 ZINC000743371108 576807262 /nfs/dbraw/zinc/80/72/62/576807262.db2.gz PZBSUXPAVMATKQ-LBPRGKRZSA-N -1 3 342.399 3.053 20 10 EGCDHM CC1CCN(c2ccc(CNc3cnccc3-c3nnn[n-]3)cc2)CC1 ZINC000824962752 608781469 /nfs/dbraw/zinc/78/14/69/608781469.db2.gz XOWFIOVVDGUWNT-UHFFFAOYSA-N -1 3 349.442 3.110 20 10 EGCDHM CC1CCN(c2ccc(CNc3cnccc3-c3nn[n-]n3)cc2)CC1 ZINC000824962752 608781470 /nfs/dbraw/zinc/78/14/70/608781470.db2.gz XOWFIOVVDGUWNT-UHFFFAOYSA-N -1 3 349.442 3.110 20 10 EGCDHM COC(=O)CN(C/C(Cl)=C/Cl)Cc1cc(Cl)ccc1[O-] ZINC000127027362 1293551156 /nfs/dbraw/zinc/55/11/56/1293551156.db2.gz WOTAPIFCTMERGV-WZUFQYTHSA-N -1 3 338.618 3.340 20 10 EGCDHM Cn1c(-c2ccccc2)cnc1SCCC[N-]C(=O)C(F)(F)F ZINC000151752730 1293937191 /nfs/dbraw/zinc/93/71/91/1293937191.db2.gz JHZQDENLPIFPNL-UHFFFAOYSA-N -1 3 343.374 3.248 20 10 EGCDHM CCN(Cc1ncc(C)o1)Cc1cc(Br)ccc1[O-] ZINC000174423219 1294499777 /nfs/dbraw/zinc/49/97/77/1294499777.db2.gz NGNKKJKIOYNFSD-UHFFFAOYSA-N -1 3 325.206 3.473 20 10 EGCDHM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cc(F)ccc1[O-] ZINC000179911131 1294837952 /nfs/dbraw/zinc/83/79/52/1294837952.db2.gz SEJCKWOMLKHJMX-GFCCVEGCSA-N -1 3 337.416 3.128 20 10 EGCDHM O=C(CCC1CCCC1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179926779 1294840186 /nfs/dbraw/zinc/84/01/86/1294840186.db2.gz BFAIAZBSAGWUMD-UHFFFAOYSA-N -1 3 334.435 3.146 20 10 EGCDHM CN(Cc1ccccc1C(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC000186864113 1295354395 /nfs/dbraw/zinc/35/43/95/1295354395.db2.gz KPKFPKNAKPDVSY-UHFFFAOYSA-N -1 3 325.286 3.389 20 10 EGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(N2CCCC2)c1 ZINC000187180597 1295372739 /nfs/dbraw/zinc/37/27/39/1295372739.db2.gz GIHZWYPQFNYZOU-CYBMUJFWSA-N -1 3 326.396 3.189 20 10 EGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000189428321 1295520874 /nfs/dbraw/zinc/52/08/74/1295520874.db2.gz GPRNZVYILRHXRO-UHFFFAOYSA-N -1 3 335.425 3.381 20 10 EGCDHM COC[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708139196 1298238509 /nfs/dbraw/zinc/23/85/09/1298238509.db2.gz FZYULCJLPXIYEV-SECBINFHSA-N -1 3 334.641 3.276 20 10 EGCDHM Oc1ccc(-c2csc([N-]c3ncnc4ccncc43)n2)cc1O ZINC000752627765 1299770173 /nfs/dbraw/zinc/77/01/73/1299770173.db2.gz CPRIYVJACPSWMJ-UHFFFAOYSA-N -1 3 337.364 3.303 20 10 EGCDHM C[C@H](NCc1cnn(CC(F)(F)F)c1)c1cc(F)cc(F)c1[O-] ZINC000756659139 1300543287 /nfs/dbraw/zinc/54/32/87/1300543287.db2.gz NAONSOUAZTXXMF-QMMMGPOBSA-N -1 3 335.276 3.280 20 10 EGCDHM CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1O ZINC000882798491 1302108383 /nfs/dbraw/zinc/10/83/83/1302108383.db2.gz OUZNXSBQROVBKZ-UHFFFAOYSA-N -1 3 349.408 3.088 20 10 EGCDHM CCc1cc(CNCc2cc(Br)cc(F)c2[O-])on1 ZINC000883017132 1302206982 /nfs/dbraw/zinc/20/69/82/1302206982.db2.gz YJJIVBYIFPMIPC-UHFFFAOYSA-N -1 3 329.169 3.134 20 10 EGCDHM CCO[C@@H](C)c1noc(CN(C)Cc2cc(Cl)ccc2[O-])n1 ZINC000769501783 1303129218 /nfs/dbraw/zinc/12/92/18/1303129218.db2.gz BNSFFENBVXNTNE-JTQLQIEISA-N -1 3 325.796 3.158 20 10 EGCDHM COCCCOc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000770506331 1303279120 /nfs/dbraw/zinc/27/91/20/1303279120.db2.gz QICFHACQGKBIHD-UHFFFAOYSA-N -1 3 331.368 3.074 20 10 EGCDHM COc1c([O-])c(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775055204 1303895883 /nfs/dbraw/zinc/89/58/83/1303895883.db2.gz QWYSFPJXBGSRBD-KOLCDFICSA-N -1 3 348.321 3.472 20 10 EGCDHM CC[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775524622 1303979778 /nfs/dbraw/zinc/97/97/78/1303979778.db2.gz UDPXOOJLZACGJD-QWHCGFSZSA-N -1 3 344.242 3.207 20 10 EGCDHM CC(C)C(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775668077 1304010700 /nfs/dbraw/zinc/01/07/00/1304010700.db2.gz QZCLFTWQOHPCKX-GFCCVEGCSA-N -1 3 342.842 3.169 20 10 EGCDHM Cc1ccc(C(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)cc1 ZINC000779586860 1304584030 /nfs/dbraw/zinc/58/40/30/1304584030.db2.gz CGBBODAUNKQHGD-UHFFFAOYSA-N -1 3 344.842 3.312 20 10 EGCDHM C[C@H](NCc1ncnn1-c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000786937784 1305663207 /nfs/dbraw/zinc/66/32/07/1305663207.db2.gz KAWCLCZOXOJCRM-NSHDSACASA-N -1 3 330.338 3.102 20 10 EGCDHM Cc1cccc(CNC(=O)c2cccc(O)c2[O-])c1Br ZINC000787448574 1305746479 /nfs/dbraw/zinc/74/64/79/1305746479.db2.gz NKSUXVAZCBFZCE-UHFFFAOYSA-N -1 3 336.185 3.099 20 10 EGCDHM O=C(Nc1ccc(OCc2ccncc2)cc1)c1cccc(O)c1[O-] ZINC000790645467 1306368088 /nfs/dbraw/zinc/36/80/88/1306368088.db2.gz HDMQLWNAYCLPAK-UHFFFAOYSA-N -1 3 336.347 3.324 20 10 EGCDHM CC[C@]1(CO)CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894504206 1308927332 /nfs/dbraw/zinc/92/73/32/1308927332.db2.gz OWFCQDBSRBKLEA-HNNXBMFYSA-N -1 3 346.240 3.278 20 10 EGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(Oc2ncccc2F)CC1 ZINC000894582481 1308966589 /nfs/dbraw/zinc/96/65/89/1308966589.db2.gz UMMXSDRFDPBZPX-UHFFFAOYSA-N -1 3 338.329 3.248 20 10 EGCDHM CC(C)CNC(=O)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792156385 1309132163 /nfs/dbraw/zinc/13/21/63/1309132163.db2.gz CADCMCNAULBJSG-UHFFFAOYSA-N -1 3 342.842 3.169 20 10 EGCDHM CC(C)(C)c1cc(CS(=O)(=O)Nc2ccc([O-])c(Cl)c2)no1 ZINC000795343160 1309730419 /nfs/dbraw/zinc/73/04/19/1309730419.db2.gz HCBMQKDYMAREPO-UHFFFAOYSA-N -1 3 344.820 3.273 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](Oc3ccncc3)C2)c1[O-] ZINC000805754285 1317418019 /nfs/dbraw/zinc/41/80/19/1317418019.db2.gz PMUBOCYMMIWPSG-MRXNPFEDSA-N -1 3 346.814 3.297 20 10 EGCDHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816514064 1319170563 /nfs/dbraw/zinc/17/05/63/1319170563.db2.gz LHUJBWSPLACPOD-KRWDZBQOSA-N -1 3 343.423 3.088 20 10 EGCDHM O=C1NCCN(Cc2ccc3ccccc3c2[O-])[C@@H]1c1cccs1 ZINC000816515164 1319170639 /nfs/dbraw/zinc/17/06/39/1319170639.db2.gz RCHWXVDHTQNJLE-QGZVFWFLSA-N -1 3 338.432 3.280 20 10 EGCDHM CC(C)[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCO1 ZINC000816675686 1319206694 /nfs/dbraw/zinc/20/66/94/1319206694.db2.gz IRNSRIVMETWVAG-AWEZNQCLSA-N -1 3 328.796 3.201 20 10 EGCDHM COC(=O)c1cnc([C@@H](C)NCc2cc(Cl)c(F)cc2[O-])s1 ZINC000822497460 1320089206 /nfs/dbraw/zinc/08/92/06/1320089206.db2.gz DWUBEQVSIFDYHO-SSDOTTSWSA-N -1 3 344.795 3.279 20 10 EGCDHM O=C1CN(Cc2ccc3ccccc3c2[O-])CN1CCC(F)(F)F ZINC000824709462 1320279256 /nfs/dbraw/zinc/27/92/56/1320279256.db2.gz QNXHUEJBGQMELO-UHFFFAOYSA-N -1 3 338.329 3.100 20 10 EGCDHM COc1cc(Cl)cc([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c1[O-] ZINC000840827684 1321158052 /nfs/dbraw/zinc/15/80/52/1321158052.db2.gz CSDHNYJEDYRSCE-CQSZACIVSA-N -1 3 340.851 3.309 20 10 EGCDHM [O-]c1c(Br)cccc1CN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840956352 1321185834 /nfs/dbraw/zinc/18/58/34/1321185834.db2.gz RBQGWPOWSAXGHO-ZBFHGGJFSA-N -1 3 348.240 3.463 20 10 EGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000919743842 1322102454 /nfs/dbraw/zinc/10/24/54/1322102454.db2.gz RJZSASRRPHOTFL-UHFFFAOYSA-N -1 3 349.434 3.256 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCOC2(CCCC2)C1 ZINC000862247588 1329470965 /nfs/dbraw/zinc/47/09/65/1329470965.db2.gz JLUXQBPVLGTSIW-UHFFFAOYSA-N -1 3 326.234 3.300 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])Nc1nccs1 ZINC001189397588 1367011962 /nfs/dbraw/zinc/01/19/62/1367011962.db2.gz YSQGSBMZBSROIU-UHFFFAOYSA-N -1 3 334.788 3.372 20 10 EGCDHM [O-]c1cccnc1CNC(=S)Nc1ccc(Br)cc1 ZINC001196636396 1368653375 /nfs/dbraw/zinc/65/33/75/1368653375.db2.gz UPGTXMPIWHACIX-UHFFFAOYSA-N -1 3 338.230 3.036 20 10 EGCDHM COC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC001203579550 1370177310 /nfs/dbraw/zinc/17/73/10/1370177310.db2.gz ANQJKRPKYNOLRD-JOYOIKCWSA-N -1 3 332.227 3.473 20 10 EGCDHM CC(C)(C(N)=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203580133 1370177865 /nfs/dbraw/zinc/17/78/65/1370177865.db2.gz LFCOKTSWGCMLDM-UHFFFAOYSA-N -1 3 345.270 3.423 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CC2(C1)C[C@H](F)CS2 ZINC001203645987 1370199797 /nfs/dbraw/zinc/19/97/97/1370199797.db2.gz XQSCTTWJZLJJIG-NSHDSACASA-N -1 3 332.238 3.184 20 10 EGCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC001203651764 1370202450 /nfs/dbraw/zinc/20/24/50/1370202450.db2.gz UEHIYLWXKAMLNA-LBPRGKRZSA-N -1 3 340.851 3.487 20 10 EGCDHM [O-]c1c(F)c(F)ccc1CN1CCN(CCc2cccs2)CC1 ZINC001204585370 1370523608 /nfs/dbraw/zinc/52/36/08/1370523608.db2.gz PWAKZGBGEONTIZ-UHFFFAOYSA-N -1 3 338.423 3.092 20 10 EGCDHM [O-]c1c(O)cccc1-c1nc(-c2cc(F)c(F)c(F)c2F)no1 ZINC001215143580 1373178249 /nfs/dbraw/zinc/17/82/49/1373178249.db2.gz CROFUPINCODGEK-UHFFFAOYSA-N -1 3 326.205 3.371 20 10 EGCDHM CCOC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2cn(C)nc21 ZINC001231868478 1376331760 /nfs/dbraw/zinc/33/17/60/1376331760.db2.gz UAMRTYYRQLJPEE-HNNXBMFYSA-N -1 3 349.862 3.223 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3cccc(Cl)c3[O-])C[C@H]21 ZINC001231914779 1376350800 /nfs/dbraw/zinc/35/08/00/1376350800.db2.gz QHBNTNZRKGWDHA-GXTWGEPZSA-N -1 3 338.835 3.097 20 10 EGCDHM [O-]c1ccc(F)c(F)c1CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001233334948 1376619817 /nfs/dbraw/zinc/61/98/17/1376619817.db2.gz ARFRXSFJWYVJCG-GJZGRUSLSA-N -1 3 330.378 3.129 20 10 EGCDHM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1c([O-])cccc1F ZINC001137832963 1377623849 /nfs/dbraw/zinc/62/38/49/1377623849.db2.gz NXAIBXPARVDAGD-OLZOCXBDSA-N -1 3 338.423 3.361 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2Cc1cccc(F)c1[O-] ZINC001138123799 1377680998 /nfs/dbraw/zinc/68/09/98/1377680998.db2.gz MBYOMJFBCJBBTK-HUUCEWRRSA-N -1 3 336.407 3.115 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])c(F)ccc2F)CCC[C@]1(O)C(F)(F)F ZINC001139684132 1377933743 /nfs/dbraw/zinc/93/37/43/1377933743.db2.gz HVVNNFVGGGVJCD-LKFCYVNXSA-N -1 3 339.304 3.196 20 10 EGCDHM O=C1CN(Cc2cc(F)ccc2[O-])CCN1c1ccccc1Cl ZINC001140060226 1377998472 /nfs/dbraw/zinc/99/84/72/1377998472.db2.gz PYDCPSFQEPVVTP-UHFFFAOYSA-N -1 3 334.778 3.034 20 10 EGCDHM CC(C)(C)OC(=O)N1CCCC12CN(Cc1cc(F)ccc1[O-])C2 ZINC001140062890 1377999375 /nfs/dbraw/zinc/99/93/75/1377999375.db2.gz HRWMJQGDSPSAAS-UHFFFAOYSA-N -1 3 336.407 3.117 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001140339233 1378049631 /nfs/dbraw/zinc/04/96/31/1378049631.db2.gz GFYDCNMBJMBEPB-CGTJXYLNSA-N -1 3 337.847 3.204 20 10 EGCDHM CCOC[C@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2nn(CC)cc21 ZINC001140466606 1378068979 /nfs/dbraw/zinc/06/89/79/1378068979.db2.gz IERLLCTYUHIWEO-CQSZACIVSA-N -1 3 349.862 3.398 20 10 EGCDHM COC(=O)[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)[C@H]1c1ccccc1 ZINC001140581312 1378089248 /nfs/dbraw/zinc/08/92/48/1378089248.db2.gz ONTVLSRDKNTBBY-KDOFPFPSSA-N -1 3 347.361 3.407 20 10 EGCDHM CCOc1ccccc1N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508705 1378449850 /nfs/dbraw/zinc/44/98/50/1378449850.db2.gz IRHANNYKAJPBGF-UHFFFAOYSA-N -1 3 348.393 3.391 20 10 EGCDHM Cc1ccnc(O[C@@H]2CCCN(Cc3cc(F)c(F)cc3[O-])C2)c1 ZINC001142530833 1378454347 /nfs/dbraw/zinc/45/43/47/1378454347.db2.gz MHIJNHOIZKDWDC-CQSZACIVSA-N -1 3 334.366 3.417 20 10 EGCDHM COCC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144298549 1378711917 /nfs/dbraw/zinc/71/19/17/1378711917.db2.gz GLJMKZFEINAEPN-UHFFFAOYSA-N -1 3 332.213 3.152 20 10 EGCDHM COc1cc(C)nc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157726201 1381015984 /nfs/dbraw/zinc/01/59/84/1381015984.db2.gz GXVLHUNBYHZXRU-UHFFFAOYSA-N -1 3 330.775 3.313 20 10 EGCDHM COc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])nc1C ZINC001168524447 1383929685 /nfs/dbraw/zinc/92/96/85/1383929685.db2.gz PZBVEZFBWZVWCA-UHFFFAOYSA-N -1 3 330.775 3.313 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c([O-])c1O ZINC001319945077 1386407746 /nfs/dbraw/zinc/40/77/46/1386407746.db2.gz FRCXZKFRNLDRHW-UHFFFAOYSA-N -1 3 340.379 3.094 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1C[C@@H]1C(F)(F)F ZINC001182328973 1387149655 /nfs/dbraw/zinc/14/96/55/1387149655.db2.gz NOMRETOQDRPXIF-UWVGGRQHSA-N -1 3 344.720 3.408 20 10 EGCDHM CCC[N@H+](Cc1ccccc1[O-])Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821109830 1425791352 /nfs/dbraw/zinc/79/13/52/1425791352.db2.gz QJNMCMIOKLHFJA-UHFFFAOYSA-N -1 3 341.390 3.124 20 10 EGCDHM CCC[N@@H+](Cc1ccccc1[O-])Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821109830 1425791354 /nfs/dbraw/zinc/79/13/54/1425791354.db2.gz QJNMCMIOKLHFJA-UHFFFAOYSA-N -1 3 341.390 3.124 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1[O-] ZINC001594058827 958069238 /nfs/dbraw/zinc/06/92/38/958069238.db2.gz KGVHYZSLZKYEOY-HUUCEWRRSA-N -1 3 347.798 3.457 20 10 EGCDHM O=C([O-])C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CCC1 ZINC001606229511 973485070 /nfs/dbraw/zinc/48/50/70/973485070.db2.gz BDSWTZOVQVOTPE-UHFFFAOYSA-N -1 3 341.407 3.410 20 10 EGCDHM O=C([O-])C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CCC1 ZINC001606229511 973485081 /nfs/dbraw/zinc/48/50/81/973485081.db2.gz BDSWTZOVQVOTPE-UHFFFAOYSA-N -1 3 341.407 3.410 20 10 EGCDHM CC[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001603573062 973703693 /nfs/dbraw/zinc/70/36/93/973703693.db2.gz DILNEOUCECJYPN-OAHLLOKOSA-N -1 3 329.396 3.172 20 10 EGCDHM CN(C)c1ccc(CNCc2cc(C(=O)[O-])c3n2CCCC3)cc1F ZINC001598320365 991315541 /nfs/dbraw/zinc/31/55/41/991315541.db2.gz AGFWFEMJNQUNMB-UHFFFAOYSA-N -1 3 345.418 3.018 20 10 EGCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@@H](c1ccccc1)N(C)C ZINC001593196180 994152695 /nfs/dbraw/zinc/15/26/95/994152695.db2.gz GCWVWQLZTIVJJU-KSMMKXTCSA-N -1 3 342.439 3.432 20 10 EGCDHM C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239333 994422043 /nfs/dbraw/zinc/42/20/43/994422043.db2.gz DNJWADUWNYYPEB-ZMZPIMSZSA-N -1 3 349.814 3.302 20 10 EGCDHM C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593247728 994467813 /nfs/dbraw/zinc/46/78/13/994467813.db2.gz SCXJSVMKKZMPKY-CZUORRHYSA-N -1 3 344.411 3.171 20 10 EGCDHM C[C@@H]([NH2+]CCCN(C)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265082 994569885 /nfs/dbraw/zinc/56/98/85/994569885.db2.gz OVRCFRIRBCIIET-OAHLLOKOSA-N -1 3 342.439 3.263 20 10 EGCDHM C[C@H]([NH2+]CCCOCc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593268963 994596467 /nfs/dbraw/zinc/59/64/67/994596467.db2.gz XRRJHDNXKQGUSE-AWEZNQCLSA-N -1 3 329.396 3.348 20 10 EGCDHM CCc1nnc([C@H](C)N[C@H](C)c2ccc(Br)cc2[O-])[nH]1 ZINC000273490577 456234805 /nfs/dbraw/zinc/23/48/05/456234805.db2.gz OEQJLYSZMQBQLJ-BDAKNGLRSA-N -1 3 339.237 3.247 20 10 EGCDHM CC(C)n1ccnc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000264741351 455274456 /nfs/dbraw/zinc/27/44/56/455274456.db2.gz UJAMTLNDGNGNQY-KRWDZBQOSA-N -1 3 329.444 3.351 20 10 EGCDHM CCN(Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](C)CS(C)(=O)=O ZINC000093390507 454711666 /nfs/dbraw/zinc/71/16/66/454711666.db2.gz QZYPFEFTRKXADG-HNNXBMFYSA-N -1 3 347.480 3.314 20 10 EGCDHM C[C@H]([C@H](C)N(C)Cc1cc(-c2ccccc2)ccc1[O-])S(C)(=O)=O ZINC000093420543 454714858 /nfs/dbraw/zinc/71/48/58/454714858.db2.gz PWJPEJVRQIEQEL-LSDHHAIUSA-N -1 3 347.480 3.313 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000191285613 455474757 /nfs/dbraw/zinc/47/47/57/455474757.db2.gz QGYILOWXMKPMHL-CYBMUJFWSA-N -1 3 343.826 3.345 20 10 EGCDHM C[C@@H](NC(=O)CN(C)Cc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000109770536 454835094 /nfs/dbraw/zinc/83/50/94/454835094.db2.gz IVVCFTFSAMBUHG-CYBMUJFWSA-N -1 3 332.831 3.355 20 10 EGCDHM CC(C)c1nnc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)o1 ZINC000109761646 454835280 /nfs/dbraw/zinc/83/52/80/454835280.db2.gz RCBCBUNHNVSICB-OAHLLOKOSA-N -1 3 331.416 3.080 20 10 EGCDHM CC(C)c1nc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)no1 ZINC000109762077 454835633 /nfs/dbraw/zinc/83/56/33/454835633.db2.gz BTPYVSYEZQKFMY-HNNXBMFYSA-N -1 3 331.416 3.080 20 10 EGCDHM CN(Cc1cnn(C)c1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182958960 455199113 /nfs/dbraw/zinc/19/91/13/455199113.db2.gz HFOHZXILQKBMIG-UHFFFAOYSA-N -1 3 337.423 3.337 20 10 EGCDHM Cc1ccc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)c([O-])c1O ZINC000245607777 455339484 /nfs/dbraw/zinc/33/94/84/455339484.db2.gz NAEBZGKJILUJSK-PJIJBLCYSA-N -1 3 341.407 3.397 20 10 EGCDHM Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000185084204 455499401 /nfs/dbraw/zinc/49/94/01/455499401.db2.gz XVGFGWBPUMMWGJ-GFCCVEGCSA-N -1 3 326.375 3.271 20 10 EGCDHM CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186030416 455680232 /nfs/dbraw/zinc/68/02/32/455680232.db2.gz ZYSPWJOYDMNNBK-BDAKNGLRSA-N -1 3 340.272 3.173 20 10 EGCDHM CC(C)N1CC[C@H](N[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1=O ZINC000192998212 455732868 /nfs/dbraw/zinc/73/28/68/455732868.db2.gz HIQVPEWWUZNZGB-ZANVPECISA-N -1 3 331.243 3.359 20 10 EGCDHM Cc1cc(CNCc2cccc(Cl)c2[O-])nc(N2CCCC2)n1 ZINC000292863832 455764177 /nfs/dbraw/zinc/76/41/77/455764177.db2.gz VOJNBVUMMUGNMT-UHFFFAOYSA-N -1 3 332.835 3.034 20 10 EGCDHM COCc1ccc(CNCc2cccc(Br)c2[O-])o1 ZINC000278133817 455766195 /nfs/dbraw/zinc/76/61/95/455766195.db2.gz CQBIVYMCCYHZAD-UHFFFAOYSA-N -1 3 326.190 3.184 20 10 EGCDHM CCc1nocc1CN(C)Cc1cc(Br)ccc1[O-] ZINC000293511128 455789240 /nfs/dbraw/zinc/78/92/40/455789240.db2.gz AEWWYOSCGUXRJC-UHFFFAOYSA-N -1 3 325.206 3.337 20 10 EGCDHM CCn1nccc1C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000279058618 455857079 /nfs/dbraw/zinc/85/70/79/455857079.db2.gz LGGGDLXERKNGQJ-UHFFFAOYSA-N -1 3 345.418 3.330 20 10 EGCDHM CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(F)cc2[O-])s1 ZINC000280210161 455918003 /nfs/dbraw/zinc/91/80/03/455918003.db2.gz TZZROLANKZWWJC-SNVBAGLBSA-N -1 3 343.445 3.237 20 10 EGCDHM Cn1cc([C@@H](NCc2cc(F)ccc2[O-])c2ccc(F)cc2)cn1 ZINC000187527207 455920634 /nfs/dbraw/zinc/92/06/34/455920634.db2.gz ZSHLYSHNBJUHLK-SFHVURJKSA-N -1 3 329.350 3.283 20 10 EGCDHM COc1cc(C)nc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000270355511 455937385 /nfs/dbraw/zinc/93/73/85/455937385.db2.gz WXEGTMPRRCYTPZ-GOSISDBHSA-N -1 3 342.439 3.285 20 10 EGCDHM CC[C@@H](Nc1ccc(OCCC(N)=O)cc1)c1ccc(F)cc1[O-] ZINC000286325125 456024294 /nfs/dbraw/zinc/02/42/94/456024294.db2.gz YDBYCQSAKQFKKD-MRXNPFEDSA-N -1 3 332.375 3.349 20 10 EGCDHM C[C@H](NCc1ccncc1OC[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000287504419 456071475 /nfs/dbraw/zinc/07/14/75/456071475.db2.gz YSFFVWQMSVRYNE-KBPBESRZSA-N -1 3 346.402 3.192 20 10 EGCDHM COc1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])c(OC)n1 ZINC000289705149 456138657 /nfs/dbraw/zinc/13/86/57/456138657.db2.gz TYYVQTKAACWBJN-UHFFFAOYSA-N -1 3 343.210 3.401 20 10 EGCDHM COc1c([O-])c(CN2CCC[C@H]2c2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000373907302 457395267 /nfs/dbraw/zinc/39/52/67/457395267.db2.gz FZMIXPCIPWTPTJ-HNNXBMFYSA-N -1 3 343.383 3.350 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000370214900 457588212 /nfs/dbraw/zinc/58/82/12/457588212.db2.gz ISLKXKMCUWCRQX-CYBMUJFWSA-N -1 3 347.846 3.046 20 10 EGCDHM Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000471940084 458754391 /nfs/dbraw/zinc/75/43/91/458754391.db2.gz NIBUNXHXEVFFRH-UHFFFAOYSA-N -1 3 341.386 3.331 20 10 EGCDHM COCCC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000529638657 459831735 /nfs/dbraw/zinc/83/17/35/459831735.db2.gz UCONFAACTHCXNX-UHFFFAOYSA-N -1 3 328.250 3.403 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000529905720 459874918 /nfs/dbraw/zinc/87/49/18/459874918.db2.gz JGLKVKOMQPBGQN-FQEVSTJZSA-N -1 3 339.391 3.098 20 10 EGCDHM CSc1nnc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[n-]1 ZINC000727486451 574671065 /nfs/dbraw/zinc/67/10/65/574671065.db2.gz LLHDQZYOHFONIG-UHFFFAOYSA-N -1 3 341.440 3.495 20 10 EGCDHM CSc1n[n-]c(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000727486451 574671066 /nfs/dbraw/zinc/67/10/66/574671066.db2.gz LLHDQZYOHFONIG-UHFFFAOYSA-N -1 3 341.440 3.495 20 10 EGCDHM CSc1nc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n[n-]1 ZINC000727486451 574671069 /nfs/dbraw/zinc/67/10/69/574671069.db2.gz LLHDQZYOHFONIG-UHFFFAOYSA-N -1 3 341.440 3.495 20 10 EGCDHM O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc([O-])cs1 ZINC000731869230 575216726 /nfs/dbraw/zinc/21/67/26/575216726.db2.gz CRKNMEZSVVUQAN-UHFFFAOYSA-N -1 3 340.404 3.358 20 10 EGCDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cc([O-])cs1 ZINC000732280443 575254370 /nfs/dbraw/zinc/25/43/70/575254370.db2.gz IPPFMCHCUPBVAQ-UHFFFAOYSA-N -1 3 330.325 3.004 20 10 EGCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ccccc1F ZINC000732354519 575261753 /nfs/dbraw/zinc/26/17/53/575261753.db2.gz UDDPDKTVGKLFAF-AWEZNQCLSA-N -1 3 337.372 3.413 20 10 EGCDHM C[C@@H](NC(=O)COC(=O)c1cc([O-])cs1)c1ccccc1Cl ZINC000732354680 575261931 /nfs/dbraw/zinc/26/19/31/575261931.db2.gz QDAZUNNBXSDMAM-SECBINFHSA-N -1 3 339.800 3.141 20 10 EGCDHM O=C1CCCN1Cc1cccc(CNCc2c([O-])cccc2Cl)c1 ZINC000733324728 575327782 /nfs/dbraw/zinc/32/77/82/575327782.db2.gz WPTLJYGZVJKDRK-UHFFFAOYSA-N -1 3 344.842 3.458 20 10 EGCDHM CC(=O)N(Cc1ccc(NC(=O)c2cc([O-])cs2)cc1)C(C)C ZINC000735119253 575605762 /nfs/dbraw/zinc/60/57/62/575605762.db2.gz ZRYGQKYUCLIOKS-UHFFFAOYSA-N -1 3 332.425 3.463 20 10 EGCDHM Cc1noc(C)c1CN(C)Cc1cccc(Br)c1[O-] ZINC000091812714 1292841822 /nfs/dbraw/zinc/84/18/22/1292841822.db2.gz XJTPZPFAEZXISA-UHFFFAOYSA-N -1 3 325.206 3.392 20 10 EGCDHM Cc1ncccc1NC(=O)[C@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000835070608 1293199948 /nfs/dbraw/zinc/19/99/48/1293199948.db2.gz KITMOJKXRFHDAN-JTQLQIEISA-N -1 3 337.782 3.005 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3cccc(F)c3)C2)c1[O-] ZINC000175631472 1294566178 /nfs/dbraw/zinc/56/61/78/1294566178.db2.gz CLXHCMXGIBCVGY-GOSISDBHSA-N -1 3 347.361 3.447 20 10 EGCDHM O=C(c1ccccc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000178858964 1294758787 /nfs/dbraw/zinc/75/87/87/1294758787.db2.gz ROETWPNBSAXWBE-UHFFFAOYSA-N -1 3 330.815 3.004 20 10 EGCDHM Cc1ccc(C(=O)N2CCN(CC3CC3)c3ccccc32)c([O-])c1O ZINC000179532002 1294802157 /nfs/dbraw/zinc/80/21/57/1294802157.db2.gz LSJIWABPLGEYEH-UHFFFAOYSA-N -1 3 338.407 3.283 20 10 EGCDHM CC(C)(C)OCc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000187063327 1295366126 /nfs/dbraw/zinc/36/61/26/1295366126.db2.gz SUGANEGFWVRQQX-UHFFFAOYSA-N -1 3 329.396 3.343 20 10 EGCDHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C12CCCCC2 ZINC000187131228 1295368986 /nfs/dbraw/zinc/36/89/86/1295368986.db2.gz WAUOCHFFOKRIPA-CVEARBPZSA-N -1 3 333.428 3.298 20 10 EGCDHM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C12CCCCC2 ZINC000187131190 1295369009 /nfs/dbraw/zinc/36/90/09/1295369009.db2.gz WAUOCHFFOKRIPA-HOTGVXAUSA-N -1 3 333.428 3.298 20 10 EGCDHM COc1ccc(-n2c(C)cc(C(=O)Nc3ncccc3[O-])c2C)cc1 ZINC000216388286 1296120682 /nfs/dbraw/zinc/12/06/82/1296120682.db2.gz IWKGZJQOUNRPNC-UHFFFAOYSA-N -1 3 337.379 3.456 20 10 EGCDHM COc1ccc(O)c(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)c1 ZINC000757100149 1300640236 /nfs/dbraw/zinc/64/02/36/1300640236.db2.gz IOZCRQJEMLTABR-UHFFFAOYSA-N -1 3 343.276 3.087 20 10 EGCDHM CC[C@@H](C)NC(=O)c1cccc(CNCc2cc(F)cc(F)c2[O-])c1 ZINC000882896082 1302152342 /nfs/dbraw/zinc/15/23/42/1302152342.db2.gz AQKNOJXWDAZDJZ-GFCCVEGCSA-N -1 3 348.393 3.489 20 10 EGCDHM C[C@H](NCc1ccncc1OC[C@H]1CCOC1)c1c([O-])cccc1F ZINC000886611225 1303523609 /nfs/dbraw/zinc/52/36/09/1303523609.db2.gz WUJNXUVIMIJTPV-KBPBESRZSA-N -1 3 346.402 3.192 20 10 EGCDHM COc1c([O-])c(CNc2cccc(-n3cccn3)c2)ccc1[N+](=O)[O-] ZINC000774822447 1303863693 /nfs/dbraw/zinc/86/36/93/1303863693.db2.gz XLMVHLLGLJFGDB-UHFFFAOYSA-N -1 3 340.339 3.107 20 10 EGCDHM COc1c(F)cc(F)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774937928 1303879941 /nfs/dbraw/zinc/87/99/41/1303879941.db2.gz SMOOLWARECITJS-UHFFFAOYSA-N -1 3 340.282 3.208 20 10 EGCDHM COc1c([O-])c(CNc2cnn(-c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000775040606 1303892946 /nfs/dbraw/zinc/89/29/46/1303892946.db2.gz SGAVEYITJKKKNZ-UHFFFAOYSA-N -1 3 340.339 3.107 20 10 EGCDHM COc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])c([O-])c1 ZINC000775144958 1303914998 /nfs/dbraw/zinc/91/49/98/1303914998.db2.gz GLRGHFUJTWKJLO-UHFFFAOYSA-N -1 3 338.201 3.159 20 10 EGCDHM Cc1noc([C@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000775654085 1304005154 /nfs/dbraw/zinc/00/51/54/1304005154.db2.gz FGLCZVUMEWSSPF-JTQLQIEISA-N -1 3 325.771 3.256 20 10 EGCDHM COc1ccc([C@@H](CO)N(C)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775701443 1304018641 /nfs/dbraw/zinc/01/86/41/1304018641.db2.gz WEORSELHTMRYPR-MRXNPFEDSA-N -1 3 339.794 3.359 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(-c3csnn3)cc2)c([O-])c1O ZINC000780904303 1304749860 /nfs/dbraw/zinc/74/98/60/1304749860.db2.gz BZUYLBFZONWXAS-UHFFFAOYSA-N -1 3 327.365 3.177 20 10 EGCDHM O=C(NCCc1nc2cc(Cl)ccc2s1)c1cccc(O)c1[O-] ZINC000790876715 1308878641 /nfs/dbraw/zinc/87/86/41/1308878641.db2.gz JRICBBUGTWVIMA-UHFFFAOYSA-N -1 3 348.811 3.333 20 10 EGCDHM CCCc1c(NC(=O)c2cccc(O)c2[O-])cnn1-c1ccccc1 ZINC000790927301 1308889921 /nfs/dbraw/zinc/88/99/21/1308889921.db2.gz WVJOXDAZCLXCFS-UHFFFAOYSA-N -1 3 337.379 3.488 20 10 EGCDHM CCOC(=O)CC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792162567 1309133083 /nfs/dbraw/zinc/13/30/83/1309133083.db2.gz LFEMXIMTMXXQJQ-UHFFFAOYSA-N -1 3 329.799 3.350 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000816516721 1319172806 /nfs/dbraw/zinc/17/28/06/1319172806.db2.gz OHWWHBOFBKPDLE-CYBMUJFWSA-N -1 3 341.732 3.320 20 10 EGCDHM Cc1noc(C[C@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000897576630 1310389740 /nfs/dbraw/zinc/38/97/40/1310389740.db2.gz IBKMSHHXRANMIT-LLVKDONJSA-N -1 3 339.798 3.331 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000826023848 1320379632 /nfs/dbraw/zinc/37/96/32/1320379632.db2.gz INYPVEDSKVJWFW-HZPDHXFCSA-N -1 3 338.245 3.298 20 10 EGCDHM CC(C)OC(=O)[C@@H](NCc1c([O-])cccc1Br)C(C)C ZINC000858172862 1328702753 /nfs/dbraw/zinc/70/27/53/1328702753.db2.gz JDHCGRMNRNHAJQ-AWEZNQCLSA-N -1 3 344.249 3.221 20 10 EGCDHM C[C@H](NCc1cnn(CC2CCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000903239948 1317679404 /nfs/dbraw/zinc/67/94/04/1317679404.db2.gz NMQHUNDPSDTUOT-LBPRGKRZSA-N -1 3 330.388 3.148 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H](CO)c1c(F)cccc1F ZINC000816550325 1319179768 /nfs/dbraw/zinc/17/97/68/1319179768.db2.gz OEVOBVPCQGNZLD-ZDUSSCGKSA-N -1 3 331.721 3.286 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666117 1319204481 /nfs/dbraw/zinc/20/44/81/1319204481.db2.gz FCMJTTAHGQNSGI-HOTGVXAUSA-N -1 3 338.245 3.298 20 10 EGCDHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000858786249 1328860709 /nfs/dbraw/zinc/86/07/09/1328860709.db2.gz OHXDMEWIFIZYPN-OAHLLOKOSA-N -1 3 340.423 3.028 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(C(=O)C3CC3)CC2(C)C)cc1Cl ZINC000825515168 1320344560 /nfs/dbraw/zinc/34/45/60/1320344560.db2.gz YHAIDWNVQFMYIA-UHFFFAOYSA-N -1 3 336.863 3.187 20 10 EGCDHM COc1c([O-])c(CN2CC(C)(CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000839145140 1320879793 /nfs/dbraw/zinc/87/97/93/1320879793.db2.gz MBIQZJXLSARSGT-UHFFFAOYSA-N -1 3 334.294 3.083 20 10 EGCDHM Cc1cccc([C@H]2C(=O)NCCN2Cc2cc(Cl)ccc2[O-])c1 ZINC000848951113 1322050660 /nfs/dbraw/zinc/05/06/60/1322050660.db2.gz OGYUKZDBZQRARS-KRWDZBQOSA-N -1 3 330.815 3.027 20 10 EGCDHM Cc1cc([O-])c([C@@H]2NC(=O)[C@@H]3c4ccccc4CCN23)cc1Cl ZINC000849182769 1322094835 /nfs/dbraw/zinc/09/48/35/1322094835.db2.gz NBDKPZJZAZKFOT-DLBZAZTESA-N -1 3 328.799 3.082 20 10 EGCDHM COCCN(Cc1c([O-])cccc1Br)CC(F)(F)F ZINC000862236708 1329469203 /nfs/dbraw/zinc/46/92/03/1329469203.db2.gz ZAJJVQBJFBIIPL-UHFFFAOYSA-N -1 3 342.155 3.165 20 10 EGCDHM CCOC(=O)[C@@H](C)N(Cc1c([O-])cccc1Br)C1CC1 ZINC000862339200 1329475742 /nfs/dbraw/zinc/47/57/42/1329475742.db2.gz KXKSDOIEQKKYEV-SNVBAGLBSA-N -1 3 342.233 3.071 20 10 EGCDHM C/C=C\C[C@H](NCc1c([O-])cccc1Br)C(=O)OCC ZINC000862345883 1329476572 /nfs/dbraw/zinc/47/65/72/1329476572.db2.gz GSOXEDHCAIRCKQ-DXTPNHAXSA-N -1 3 342.233 3.142 20 10 EGCDHM COCCC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000862436523 1329486528 /nfs/dbraw/zinc/48/65/28/1329486528.db2.gz GVEIDKRWEVDJKI-UHFFFAOYSA-N -1 3 328.796 3.202 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000862442451 1329487806 /nfs/dbraw/zinc/48/78/06/1329487806.db2.gz CDLKKNJNZFBTNI-GFCCVEGCSA-N -1 3 333.334 3.396 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])cc(Br)cc2F)CCC[C@@]1(C)O ZINC001233029127 1376557120 /nfs/dbraw/zinc/55/71/20/1376557120.db2.gz ZDUJBAMYKBKEBU-ZUZCIYMTSA-N -1 3 346.240 3.277 20 10 EGCDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])n(-c2ccc(F)cc2)n1 ZINC001323605707 1387404551 /nfs/dbraw/zinc/40/45/51/1387404551.db2.gz PAOHESUEQXNISV-UHFFFAOYSA-N -1 3 341.342 3.292 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCCC[C@H]1CO ZINC001184167648 1387407454 /nfs/dbraw/zinc/40/74/54/1387407454.db2.gz XUQJPEDHVPNIEB-AAEUAGOBSA-N -1 3 348.830 3.009 20 10 EGCDHM O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1ccc([O-])c(F)c1 ZINC001189529348 1367045695 /nfs/dbraw/zinc/04/56/95/1367045695.db2.gz CPXJVGVRXSIONW-UHFFFAOYSA-N -1 3 349.305 3.492 20 10 EGCDHM CCCn1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001189829024 1367116102 /nfs/dbraw/zinc/11/61/02/1367116102.db2.gz FVNCADPCPMBJIL-UHFFFAOYSA-N -1 3 344.802 3.130 20 10 EGCDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1O ZINC001190500511 1367278847 /nfs/dbraw/zinc/27/88/47/1367278847.db2.gz TWQZNWAQIPCRJY-UHFFFAOYSA-N -1 3 331.393 3.273 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCc2cc(CO)ccc2C1 ZINC001203635976 1370196158 /nfs/dbraw/zinc/19/61/58/1370196158.db2.gz LPKPQYDLDDSYOA-UHFFFAOYSA-N -1 3 348.240 3.205 20 10 EGCDHM Cc1cccc(C(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC001203658447 1370204982 /nfs/dbraw/zinc/20/49/82/1370204982.db2.gz VNUITBDFRZVRRU-UHFFFAOYSA-N -1 3 344.842 3.312 20 10 EGCDHM CCOc1cccc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC001203663970 1370207693 /nfs/dbraw/zinc/20/76/93/1370207693.db2.gz ILPGOXQXFXEUQU-UHFFFAOYSA-N -1 3 347.846 3.162 20 10 EGCDHM O=C(NCc1ccco1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001188184655 1388259576 /nfs/dbraw/zinc/25/95/76/1388259576.db2.gz XUPZGGAFPXLXJS-UHFFFAOYSA-N -1 3 331.759 3.186 20 10 EGCDHM Cc1cc(OC2CCOCC2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229541073 1375853172 /nfs/dbraw/zinc/85/31/72/1375853172.db2.gz GWSDNCZEXLTZJV-UHFFFAOYSA-N -1 3 338.359 3.034 20 10 EGCDHM Cc1cccc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)c1C ZINC001231565528 1376266522 /nfs/dbraw/zinc/26/65/22/1376266522.db2.gz ZXLOXWLEDMALAN-UHFFFAOYSA-N -1 3 340.423 3.029 20 10 EGCDHM COc1cc([O-])c(CN2CC(Oc3ccc(F)cc3)C2)cc1Cl ZINC001232270023 1376428227 /nfs/dbraw/zinc/42/82/27/1376428227.db2.gz PVDHXXHNAPDBAL-UHFFFAOYSA-N -1 3 337.778 3.457 20 10 EGCDHM CCCc1noc(C2CCN(Cc3c([O-])ccc(F)c3F)CC2)n1 ZINC001233335478 1376619211 /nfs/dbraw/zinc/61/92/11/1376619211.db2.gz WYQWZKXHKKLZTK-UHFFFAOYSA-N -1 3 337.370 3.386 20 10 EGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCNC[C@H]1C(F)(F)F ZINC001236979469 1376968251 /nfs/dbraw/zinc/96/82/51/1376968251.db2.gz DIGCMDXPNMFZOQ-NSHDSACASA-N -1 3 329.149 3.035 20 10 EGCDHM COc1ccc(N2CCN(Cc3c([O-])cccc3F)CC2)c(C)c1 ZINC001137841651 1377629225 /nfs/dbraw/zinc/62/92/25/1377629225.db2.gz OEJHJAWYIDUGLH-UHFFFAOYSA-N -1 3 330.403 3.171 20 10 EGCDHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140463078 1378067249 /nfs/dbraw/zinc/06/72/49/1378067249.db2.gz RUUDNOMSJRUNBG-UHFFFAOYSA-N -1 3 340.851 3.488 20 10 EGCDHM CC(C)(C)OC(=O)N1CC2(CCN2Cc2ccc(Cl)cc2[O-])C1 ZINC001140463254 1378067498 /nfs/dbraw/zinc/06/74/98/1378067498.db2.gz YBQOKCDIQQRYOA-UHFFFAOYSA-N -1 3 338.835 3.241 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])cc(F)cc2F)CCC[C@@]1(O)C(F)(F)F ZINC001140582262 1378088990 /nfs/dbraw/zinc/08/89/90/1378088990.db2.gz FVBXIAYKTKMKQZ-OTYXRUKQSA-N -1 3 339.304 3.196 20 10 EGCDHM C[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC[C@H]1O ZINC001141367818 1378312348 /nfs/dbraw/zinc/31/23/48/1378312348.db2.gz RQUXRGIQIYFTHO-TVQRCGJNSA-N -1 3 348.668 3.401 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001141375146 1378313057 /nfs/dbraw/zinc/31/30/57/1378313057.db2.gz XMADRXGNGKHIMK-RTCCRHLQSA-N -1 3 334.616 3.455 20 10 EGCDHM CNc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(O)c1[O-] ZINC001148218990 1379134650 /nfs/dbraw/zinc/13/46/50/1379134650.db2.gz QKPABYBXQSGLQL-UHFFFAOYSA-N -1 3 326.274 3.411 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001148218801 1379134696 /nfs/dbraw/zinc/13/46/96/1379134696.db2.gz LPIXZXPNFFVGBJ-FQEVSTJZSA-N -1 3 341.382 3.357 20 10 EGCDHM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC001148218458 1379134964 /nfs/dbraw/zinc/13/49/64/1379134964.db2.gz DDOONRMGDPSHHU-OAHLLOKOSA-N -1 3 327.380 3.221 20 10 EGCDHM Cc1c(NCc2cc(Cl)c3cccnc3c2[O-])cncc1C(N)=O ZINC001168524105 1383930017 /nfs/dbraw/zinc/93/00/17/1383930017.db2.gz VZLPJEJLSYQMJP-UHFFFAOYSA-N -1 3 342.786 3.008 20 10 EGCDHM O=c1ccc(NCc2cc3ccccc3cc2[O-])nn1CC(F)(F)F ZINC001171407661 1384514632 /nfs/dbraw/zinc/51/46/32/1384514632.db2.gz SCCOXKGLEWRZEA-UHFFFAOYSA-N -1 3 349.312 3.277 20 10 EGCDHM C[C@@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592783513 979424016 /nfs/dbraw/zinc/42/40/16/979424016.db2.gz YGOLYQQYSINSNW-RYUDHWBXSA-N -1 3 333.359 3.348 20 10 EGCDHM C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593210497 994249881 /nfs/dbraw/zinc/24/98/81/994249881.db2.gz QXVOZGIHLHHIAV-CXAGYDPISA-N -1 3 329.396 3.255 20 10 EGCDHM C[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593232117 994382342 /nfs/dbraw/zinc/38/23/42/994382342.db2.gz MIODSCLQOXEXSU-QITLCBANSA-N -1 3 342.395 3.056 20 10 EGCDHM C[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257444 994528849 /nfs/dbraw/zinc/52/88/49/994528849.db2.gz NRXMXJOVWKIWIV-YOEHRIQHSA-N -1 3 340.423 3.016 20 10 EGCDHM COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000109769643 454835194 /nfs/dbraw/zinc/83/51/94/454835194.db2.gz NWVJVQJHWIHZLD-CABCVRRESA-N -1 3 342.439 3.099 20 10 EGCDHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN(C)Cc1ccccc1[O-] ZINC000109770569 454835460 /nfs/dbraw/zinc/83/54/60/454835460.db2.gz VNTPKWONUGBOFC-AWEZNQCLSA-N -1 3 330.403 3.183 20 10 EGCDHM Cc1ccc(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)c([O-])c1O ZINC000179491753 455052042 /nfs/dbraw/zinc/05/20/42/455052042.db2.gz NAEBZGKJILUJSK-BIENJYKASA-N -1 3 341.407 3.397 20 10 EGCDHM Cc1ccc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c([O-])c1O ZINC000179501396 455053313 /nfs/dbraw/zinc/05/33/13/455053313.db2.gz QDGJJZGZDZNDBG-INIZCTEOSA-N -1 3 340.423 3.147 20 10 EGCDHM CCCNC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000179920706 455099132 /nfs/dbraw/zinc/09/91/32/455099132.db2.gz QGGYZWDWQXDGKY-UHFFFAOYSA-N -1 3 345.270 3.437 20 10 EGCDHM CCc1nc(-c2ccccc2NC(=O)c2ccc(C)c(O)c2[O-])n[nH]1 ZINC000182907321 455188480 /nfs/dbraw/zinc/18/84/80/455188480.db2.gz SBFPRVGVNCWJFN-UHFFFAOYSA-N -1 3 338.367 3.006 20 10 EGCDHM O=C1CCCC(=O)N1Cc1ccc(NCc2cc(F)ccc2[O-])cc1 ZINC000184815852 455453153 /nfs/dbraw/zinc/45/31/53/455453153.db2.gz NOAQPDWTURNRKN-UHFFFAOYSA-N -1 3 342.370 3.183 20 10 EGCDHM COc1ncccc1CN[C@H](C)c1cc(Br)ccc1[O-] ZINC000184985069 455481484 /nfs/dbraw/zinc/48/14/84/455481484.db2.gz ZTRBNSWQVGBHKR-SNVBAGLBSA-N -1 3 337.217 3.409 20 10 EGCDHM CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186030431 455680321 /nfs/dbraw/zinc/68/03/21/455680321.db2.gz ZYSPWJOYDMNNBK-IUCAKERBSA-N -1 3 340.272 3.173 20 10 EGCDHM CCNC(=O)COc1ccc(N[C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000186263458 455728337 /nfs/dbraw/zinc/72/83/37/455728337.db2.gz LPVQUJVSVQFWCP-LBPRGKRZSA-N -1 3 332.375 3.219 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(OCc2ccc(F)cc2)CC1 ZINC000193151709 455744173 /nfs/dbraw/zinc/74/41/73/455744173.db2.gz WBIQSOGNXOCKAH-UHFFFAOYSA-N -1 3 345.370 3.058 20 10 EGCDHM Cc1cc(CNCc2c([O-])cccc2Cl)nc(N2CCCC2)n1 ZINC000292882765 455765017 /nfs/dbraw/zinc/76/50/17/455765017.db2.gz XZVKQTBXWVFDRN-UHFFFAOYSA-N -1 3 332.835 3.034 20 10 EGCDHM CO[C@H]1CCN(Cc2cc(Br)ccc2[O-])CC1(C)C ZINC000294939618 455832998 /nfs/dbraw/zinc/83/29/98/455832998.db2.gz GVYQIXIIZIHHBA-AWEZNQCLSA-N -1 3 328.250 3.402 20 10 EGCDHM COc1c([O-])c(CN2Cc3ccccc3OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278530515 455839171 /nfs/dbraw/zinc/83/91/71/455839171.db2.gz VANOSMUTDCNLIW-GFCCVEGCSA-N -1 3 344.367 3.092 20 10 EGCDHM CCOC(=O)Cc1cnc(NCc2c([O-])cccc2Cl)s1 ZINC000295877427 455861730 /nfs/dbraw/zinc/86/17/30/455861730.db2.gz HLSQCLCTQRSVGJ-UHFFFAOYSA-N -1 3 326.805 3.220 20 10 EGCDHM [O-]c1ccc(F)cc1CN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280332946 455949615 /nfs/dbraw/zinc/94/96/15/455949615.db2.gz RGAKVPGKASWNRD-ZDUSSCGKSA-N -1 3 345.292 3.253 20 10 EGCDHM COc1ccc([C@H](CCO)N[C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000187763801 455950131 /nfs/dbraw/zinc/95/01/31/455950131.db2.gz AFGIQCQPQXVEDA-BZNIZROVSA-N -1 3 337.366 3.453 20 10 EGCDHM C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000187802151 455955014 /nfs/dbraw/zinc/95/50/14/455955014.db2.gz XPVURIBCIFNYQX-SSDOTTSWSA-N -1 3 335.276 3.274 20 10 EGCDHM COc1ccccc1[C@H](CNC(=O)c1cccc(O)c1[O-])OC(C)C ZINC000280593683 456008705 /nfs/dbraw/zinc/00/87/05/456008705.db2.gz XQFXBXGKEBFBMP-KRWDZBQOSA-N -1 3 345.395 3.003 20 10 EGCDHM CCN(Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000271012014 456097886 /nfs/dbraw/zinc/09/78/86/456097886.db2.gz PNAVCEJOJRMUEL-GOSISDBHSA-N -1 3 345.464 3.068 20 10 EGCDHM C[C@@H](O)c1ncc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000289084193 456114884 /nfs/dbraw/zinc/11/48/84/456114884.db2.gz KTELLVXIWMYISC-HIFRSBDPSA-N -1 3 348.468 3.083 20 10 EGCDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCC[C@@](F)(CO)C1 ZINC000289736798 456139244 /nfs/dbraw/zinc/13/92/44/456139244.db2.gz IFUFWRRTBINMEX-FQEVSTJZSA-N -1 3 345.414 3.268 20 10 EGCDHM COCC[C@@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccco1 ZINC000273411063 456228035 /nfs/dbraw/zinc/22/80/35/456228035.db2.gz HWYSOQUGQJCQNK-SWLSCSKDSA-N -1 3 333.384 3.200 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2nnc(C)s2)c1[O-] ZINC000273614395 456240862 /nfs/dbraw/zinc/24/08/62/456240862.db2.gz OXONADLYWXRNHW-ZETCQYMHSA-N -1 3 325.821 3.259 20 10 EGCDHM CC[C@@H](c1ccncc1)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290336968 456297852 /nfs/dbraw/zinc/29/78/52/456297852.db2.gz FDGJGYSESHJFLO-AWEZNQCLSA-N -1 3 331.372 3.287 20 10 EGCDHM CC[C@H](C)c1nnc([C@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])[nH]1 ZINC000277342997 456786248 /nfs/dbraw/zinc/78/62/48/456786248.db2.gz VDOXEALQCMKAIA-TUAOUCFPSA-N -1 3 346.431 3.222 20 10 EGCDHM CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])n[nH]1 ZINC000277342997 456786252 /nfs/dbraw/zinc/78/62/52/456786252.db2.gz VDOXEALQCMKAIA-TUAOUCFPSA-N -1 3 346.431 3.222 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@H]3CCOC3)CC2)c1[O-] ZINC000365037778 457725281 /nfs/dbraw/zinc/72/52/81/457725281.db2.gz PTZPNWIEIKCAFY-AWEZNQCLSA-N -1 3 337.847 3.497 20 10 EGCDHM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1cccc(O)c1[O-] ZINC000366154934 457796172 /nfs/dbraw/zinc/79/61/72/457796172.db2.gz FFLRQYSBOFNGCK-UHFFFAOYSA-N -1 3 347.374 3.265 20 10 EGCDHM Cc1ccc([C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccn2)cc1 ZINC000366251612 457802665 /nfs/dbraw/zinc/80/26/65/457802665.db2.gz WMAIFTNUHZWEMR-GOSISDBHSA-N -1 3 334.375 3.321 20 10 EGCDHM CCOC[C@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000530107685 458687302 /nfs/dbraw/zinc/68/73/02/458687302.db2.gz UJXZGHROFDFFFR-CQSZACIVSA-N -1 3 345.439 3.255 20 10 EGCDHM O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1cc([O-])cs1 ZINC000732274430 575252396 /nfs/dbraw/zinc/25/23/96/575252396.db2.gz RWDOPZASIYNBRS-UHFFFAOYSA-N -1 3 339.420 3.058 20 10 EGCDHM O=C(NCc1ccnc(OC2CCCCC2)c1)c1cc([O-])cs1 ZINC000732280917 575254329 /nfs/dbraw/zinc/25/43/29/575254329.db2.gz JPMDHCIEGDEJAV-UHFFFAOYSA-N -1 3 332.425 3.490 20 10 EGCDHM CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353844 575261795 /nfs/dbraw/zinc/26/17/95/575261795.db2.gz BFVWJNLNRLODKL-SECBINFHSA-N -1 3 337.422 3.360 20 10 EGCDHM O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc([O-])cs1 ZINC000740940137 576638367 /nfs/dbraw/zinc/63/83/67/576638367.db2.gz GYRIOPIHPJWJGV-SNVBAGLBSA-N -1 3 332.208 3.224 20 10 EGCDHM CCCOC(=O)[C@@H](C)N(CC)Cc1cc(Br)ccc1[O-] ZINC000743874624 576818181 /nfs/dbraw/zinc/81/81/81/576818181.db2.gz XITOIFJNADALBF-LLVKDONJSA-N -1 3 344.249 3.318 20 10 EGCDHM CCCOC(=O)[C@H](C)N(CC)Cc1cc(Br)ccc1[O-] ZINC000743874626 576818234 /nfs/dbraw/zinc/81/82/34/576818234.db2.gz XITOIFJNADALBF-NSHDSACASA-N -1 3 344.249 3.318 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])ccc3ccncc32)C[C@@H](C(F)(F)F)O1 ZINC000744444504 576828572 /nfs/dbraw/zinc/82/85/72/576828572.db2.gz PLTIIGLWERBLEP-BONVTDFDSA-N -1 3 326.318 3.092 20 10 EGCDHM O=S(=O)([N-]Cc1ccccc1O)c1ccc(F)cc1C(F)(F)F ZINC000751150782 1299516991 /nfs/dbraw/zinc/51/69/91/1299516991.db2.gz LELVAUHZFUQOKA-UHFFFAOYSA-N -1 3 349.305 3.029 20 10 EGCDHM CC1CCN(c2ccc(CNC(=O)c3ccc(N)cc3[O-])cc2)CC1 ZINC000828988566 1292526898 /nfs/dbraw/zinc/52/68/98/1292526898.db2.gz WXVHCQXYGJLDKA-UHFFFAOYSA-N -1 3 339.439 3.141 20 10 EGCDHM C[C@H](NCc1nn(C)cc1Cl)c1cc(Br)ccc1[O-] ZINC000834884002 1293163892 /nfs/dbraw/zinc/16/38/92/1293163892.db2.gz VXKOIOHCUMXMRS-QMMMGPOBSA-N -1 3 344.640 3.392 20 10 EGCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1ccccc1C(F)(F)F ZINC000126112250 1293524789 /nfs/dbraw/zinc/52/47/89/1293524789.db2.gz JUMZTOYURBYLHO-UHFFFAOYSA-N -1 3 335.278 3.351 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCCO[C@H](C(C)C)C2)c1[O-] ZINC000378778227 1297522082 /nfs/dbraw/zinc/52/20/82/1297522082.db2.gz GEPFQXRCYKPRKO-INIZCTEOSA-N -1 3 325.836 3.495 20 10 EGCDHM CCN(Cc1ccc2c(c1)OCO2)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000748050609 1298918755 /nfs/dbraw/zinc/91/87/55/1298918755.db2.gz HZHAONBHQIABDY-UHFFFAOYSA-N -1 3 345.370 3.485 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN(C)[C@H](CO)c2ccccc2)c1[O-] ZINC000750979083 1299489965 /nfs/dbraw/zinc/48/99/65/1299489965.db2.gz MTHUHDFXZQJZKG-QGZVFWFLSA-N -1 3 333.815 3.414 20 10 EGCDHM Cc1cc([C@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])ccc1Cl ZINC000756363115 1300475901 /nfs/dbraw/zinc/47/59/01/1300475901.db2.gz SFJIVJBRWFQLQQ-KRWDZBQOSA-N -1 3 331.799 3.499 20 10 EGCDHM C[C@H](NCC(=O)Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756479280 1300502577 /nfs/dbraw/zinc/50/25/77/1300502577.db2.gz LIOCAYBACLWJRJ-JTQLQIEISA-N -1 3 349.774 3.243 20 10 EGCDHM O=C1CN(Cc2c([O-])ccc3ccccc32)CN1Cc1ccccc1 ZINC000763314375 1301873395 /nfs/dbraw/zinc/87/33/95/1301873395.db2.gz ZXAXFUJXUKHYBM-UHFFFAOYSA-N -1 3 332.403 3.347 20 10 EGCDHM CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1O ZINC000882798732 1302109006 /nfs/dbraw/zinc/10/90/06/1302109006.db2.gz BEBCABVHKDLROT-UHFFFAOYSA-N -1 3 333.409 3.347 20 10 EGCDHM CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1O ZINC000882798771 1302109201 /nfs/dbraw/zinc/10/92/01/1302109201.db2.gz CTFJVRLQMBFWAL-UHFFFAOYSA-N -1 3 335.381 3.045 20 10 EGCDHM Cc1ccc(CNCc2cc(F)cc(F)c2[O-])c(O[C@H]2CCOC2)c1 ZINC000883040300 1302217720 /nfs/dbraw/zinc/21/77/20/1302217720.db2.gz WZCAAOIFSGWZAI-INIZCTEOSA-N -1 3 349.377 3.436 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000768251957 1302866323 /nfs/dbraw/zinc/86/63/23/1302866323.db2.gz BUJDZSBNEGCSFA-UHFFFAOYSA-N -1 3 338.238 3.416 20 10 EGCDHM CC1(C)CN=C(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)S1 ZINC000768885257 1303006336 /nfs/dbraw/zinc/00/63/36/1303006336.db2.gz BVJGKCRDQARETG-UHFFFAOYSA-N -1 3 339.892 3.045 20 10 EGCDHM COc1ccc(CN[C@@H](C)c2c([O-])cccc2F)c(OC)c1OC ZINC000886506344 1303480005 /nfs/dbraw/zinc/48/00/05/1303480005.db2.gz NFWKJJROQHPVOC-NSHDSACASA-N -1 3 335.375 3.408 20 10 EGCDHM CC(C)c1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c([O-])c1 ZINC000773747476 1303733149 /nfs/dbraw/zinc/73/31/49/1303733149.db2.gz AKTLTCNGSQQJLP-GFCCVEGCSA-N -1 3 329.396 3.288 20 10 EGCDHM COc1c([O-])c(CN2CCc3ccccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774881023 1303872168 /nfs/dbraw/zinc/87/21/68/1303872168.db2.gz VNNOUFVZCJDEPV-LBPRGKRZSA-N -1 3 328.368 3.428 20 10 EGCDHM CC(C)C(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775668080 1304010215 /nfs/dbraw/zinc/01/02/15/1304010215.db2.gz QZCLFTWQOHPCKX-LBPRGKRZSA-N -1 3 342.842 3.169 20 10 EGCDHM [O-]c1c(Br)cccc1CNCc1ccc(Cl)cn1 ZINC000776254972 1304122372 /nfs/dbraw/zinc/12/23/72/1304122372.db2.gz RKZHQOTYDNMLMV-UHFFFAOYSA-N -1 3 327.609 3.493 20 10 EGCDHM CN(CCN(C)C(=O)OC(C)(C)C)Cc1c([O-])cccc1Cl ZINC000779596601 1304585029 /nfs/dbraw/zinc/58/50/29/1304585029.db2.gz JLYUPEHRIUALIN-UHFFFAOYSA-N -1 3 328.840 3.344 20 10 EGCDHM CN(C)c1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000786703257 1305619009 /nfs/dbraw/zinc/61/90/09/1305619009.db2.gz MVZJXOSOZWYFNN-UHFFFAOYSA-N -1 3 330.403 3.236 20 10 EGCDHM COc1ccc(O)c([C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787132369 1305695276 /nfs/dbraw/zinc/69/52/76/1305695276.db2.gz ZHWIRFXYJGSWGY-GFCCVEGCSA-N -1 3 347.386 3.446 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(OCC2CCCCC2)CC1 ZINC000790793479 1308865694 /nfs/dbraw/zinc/86/56/94/1308865694.db2.gz VWLRKCYASCVXRR-UHFFFAOYSA-N -1 3 333.428 3.299 20 10 EGCDHM C[C@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894424272 1308871635 /nfs/dbraw/zinc/87/16/35/1308871635.db2.gz ZQLCLNMRFQBCFO-VHSXEESVSA-N -1 3 348.668 3.401 20 10 EGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])nn1-c1ccccc1Cl ZINC000790919821 1308888018 /nfs/dbraw/zinc/88/80/18/1308888018.db2.gz SQESWPRHEYOFQL-UHFFFAOYSA-N -1 3 343.770 3.498 20 10 EGCDHM C[C@]1(O)CCCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894603224 1308974236 /nfs/dbraw/zinc/97/42/36/1308974236.db2.gz NYTGFNYHCLAEKJ-AWEZNQCLSA-N -1 3 332.213 3.031 20 10 EGCDHM CN(Cc1cc(F)cc(F)c1[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000894882492 1309113514 /nfs/dbraw/zinc/11/35/14/1309113514.db2.gz ADYTXEGHZQYEDD-HNNXBMFYSA-N -1 3 327.758 3.489 20 10 EGCDHM COCCc1ccnc(NCc2cccc(Br)c2[O-])c1 ZINC000795807608 1309838854 /nfs/dbraw/zinc/83/88/54/1309838854.db2.gz GGRYYYKXENSJBR-UHFFFAOYSA-N -1 3 337.217 3.351 20 10 EGCDHM CCOc1ncc(C)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000824520825 1320263082 /nfs/dbraw/zinc/26/30/82/1320263082.db2.gz AQTJLRNIQBZPJI-UHFFFAOYSA-N -1 3 333.344 3.023 20 10 EGCDHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc3c(c2)CCCO3)c1 ZINC000900029091 1317222438 /nfs/dbraw/zinc/22/24/38/1317222438.db2.gz LJNPDNBVWPPFMY-GOSISDBHSA-N -1 3 341.407 3.326 20 10 EGCDHM COC[C@@H](NCc1c([O-])cccc1Br)c1ccco1 ZINC000858148380 1328696754 /nfs/dbraw/zinc/69/67/54/1328696754.db2.gz VJLCMMZOJKPSEG-GFCCVEGCSA-N -1 3 326.190 3.225 20 10 EGCDHM COCc1nc(CNCc2c([O-])cccc2Br)cs1 ZINC000858166076 1328701405 /nfs/dbraw/zinc/70/14/05/1328701405.db2.gz YOKPZCLIRLEDPI-UHFFFAOYSA-N -1 3 343.246 3.047 20 10 EGCDHM CC1CCN(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000807838538 1317590408 /nfs/dbraw/zinc/59/04/08/1317590408.db2.gz WKSAKENEOHUHHJ-UHFFFAOYSA-N -1 3 331.243 3.047 20 10 EGCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ccc2cncn2c1 ZINC000807840265 1317590804 /nfs/dbraw/zinc/59/08/04/1317590804.db2.gz WGACMEQSDLJAKW-UHFFFAOYSA-N -1 3 336.178 3.277 20 10 EGCDHM O=C1CCCCN1[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816504763 1319169805 /nfs/dbraw/zinc/16/98/05/1319169805.db2.gz AWDQMFKXBUWKPC-ZDUSSCGKSA-N -1 3 340.826 3.162 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1nnc(-c2ccccc2)[n-]1 ZINC000816563257 1319183122 /nfs/dbraw/zinc/18/31/22/1319183122.db2.gz QALJROZOXSQDLJ-UHFFFAOYSA-N -1 3 332.766 3.260 20 10 EGCDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(O)cc1SC)C1CCCC1 ZINC000849310010 1322110888 /nfs/dbraw/zinc/11/08/88/1322110888.db2.gz QAIAEHCIOSVLRL-CQSZACIVSA-N -1 3 345.486 3.061 20 10 EGCDHM C[C@H](NCc1cccnc1N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850502009 1322259197 /nfs/dbraw/zinc/25/91/97/1322259197.db2.gz RETKVMLCFPEVEQ-ZDUSSCGKSA-N -1 3 342.399 3.146 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCO[C@H](c2ccco2)C1 ZINC000862250980 1329471542 /nfs/dbraw/zinc/47/15/42/1329471542.db2.gz SNBCKOZFECVVDC-HNNXBMFYSA-N -1 3 338.201 3.321 20 10 EGCDHM Cc1noc([C@@H](C)N(C)Cc2c([O-])cccc2Br)n1 ZINC000862405607 1329483561 /nfs/dbraw/zinc/48/35/61/1329483561.db2.gz HPSQXTIPOYNQDM-MRVPVSSYSA-N -1 3 326.194 3.039 20 10 EGCDHM CC1(C)CN(Cc2c([O-])cc(Br)cc2F)[C@@](C)(CO)C1 ZINC001233028765 1376556463 /nfs/dbraw/zinc/55/64/63/1376556463.db2.gz UTVGLIQCZPMZDB-OAHLLOKOSA-N -1 3 346.240 3.277 20 10 EGCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@@H]2OCCC[C@H]2C1 ZINC001233026870 1376556532 /nfs/dbraw/zinc/55/65/32/1376556532.db2.gz HDYHCUQFYCBTQE-BONVTDFDSA-N -1 3 344.224 3.295 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CC[C@H](CO)CC1 ZINC001184759921 1387530449 /nfs/dbraw/zinc/53/04/49/1387530449.db2.gz FGZXKRACWFVXSA-HAQNSBGRSA-N -1 3 348.830 3.009 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCn2cnc(COCC3CC3)c2C1 ZINC001203655904 1370203321 /nfs/dbraw/zinc/20/33/21/1370203321.db2.gz DRJICGARLLJHDC-UHFFFAOYSA-N -1 3 347.846 3.185 20 10 EGCDHM COc1ccc(Cl)c(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1 ZINC001215328538 1373198591 /nfs/dbraw/zinc/19/85/91/1373198591.db2.gz JWGOBYSXUPHMLD-UHFFFAOYSA-N -1 3 334.715 3.182 20 10 EGCDHM Cc1ccc([N-]S(=O)(=O)CC2CC2)c(C(=O)c2ccccc2)c1 ZINC001188976859 1388425353 /nfs/dbraw/zinc/42/53/53/1388425353.db2.gz LJSINQLFCZRBTB-UHFFFAOYSA-N -1 3 329.421 3.378 20 10 EGCDHM Cc1ccc(C)c(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)c1 ZINC001231562000 1376266167 /nfs/dbraw/zinc/26/61/67/1376266167.db2.gz YPYFYYUHLQGEIO-UHFFFAOYSA-N -1 3 340.423 3.029 20 10 EGCDHM O=C([O-])c1ccc(O)c(CN2CCSC[C@H]2c2ccccc2)c1 ZINC001231565352 1376266895 /nfs/dbraw/zinc/26/68/95/1376266895.db2.gz UDVSIQZXEUCIFQ-INIZCTEOSA-N -1 3 329.421 3.381 20 10 EGCDHM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231870469 1376330554 /nfs/dbraw/zinc/33/05/54/1376330554.db2.gz CYVUFZSNRYZUIY-KRWDZBQOSA-N -1 3 345.826 3.454 20 10 EGCDHM C[C@@]1(O)CCCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233027045 1376556318 /nfs/dbraw/zinc/55/63/18/1376556318.db2.gz KQZLRKALWJJPQC-CQSZACIVSA-N -1 3 332.213 3.031 20 10 EGCDHM CCOC(=O)C1(CC)CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336132 1376617655 /nfs/dbraw/zinc/61/76/55/1376617655.db2.gz ZSUDNBHZUYXIRY-UHFFFAOYSA-N -1 3 327.371 3.226 20 10 EGCDHM CCOc1cccc(N2CCN(Cc3c([O-])cccc3F)CC2)c1 ZINC001137839086 1377626996 /nfs/dbraw/zinc/62/69/96/1377626996.db2.gz QSXAXCOIQOVQQJ-UHFFFAOYSA-N -1 3 330.403 3.252 20 10 EGCDHM CCN(CCN(C)C(=O)OC(C)(C)C)Cc1c(F)ccc(F)c1[O-] ZINC001139686778 1377934243 /nfs/dbraw/zinc/93/42/43/1377934243.db2.gz FPRRGWQEQDBPPD-UHFFFAOYSA-N -1 3 344.402 3.359 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCOC[C@@H]1c1cccnc1 ZINC001140103256 1378008683 /nfs/dbraw/zinc/00/86/83/1378008683.db2.gz GGWCFVVKJWLYRB-OAHLLOKOSA-N -1 3 349.228 3.123 20 10 EGCDHM COC(=O)[C@H]1Cc2ccccc2CN1Cc1c([O-])cccc1Cl ZINC001140341623 1378049588 /nfs/dbraw/zinc/04/95/88/1378049588.db2.gz ZUJSQIZONGXESA-MRXNPFEDSA-N -1 3 331.799 3.146 20 10 EGCDHM O=C1Nc2ccccc2CN1C1CN(Cc2c([O-])cccc2Cl)C1 ZINC001140342703 1378049879 /nfs/dbraw/zinc/04/98/79/1378049879.db2.gz VGKPUTZRTYWWJZ-UHFFFAOYSA-N -1 3 343.814 3.278 20 10 EGCDHM O=C(Nc1ncccc1OCc1ccccc1)c1cccc(O)c1[O-] ZINC001148212930 1379134272 /nfs/dbraw/zinc/13/42/72/1379134272.db2.gz PCKNHKKTFWIAHS-UHFFFAOYSA-N -1 3 336.347 3.324 20 10 EGCDHM CC(C)Cc1ccc([C@@H](C)NC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148590138 1379218213 /nfs/dbraw/zinc/21/82/13/1379218213.db2.gz CESFADRZRUHBFX-GFCCVEGCSA-N -1 3 329.396 3.493 20 10 EGCDHM Cc1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)c1[O-] ZINC000826267735 1425062747 /nfs/dbraw/zinc/06/27/47/1425062747.db2.gz TUHYOEJZCYRVIZ-LLVKDONJSA-N -1 3 343.818 3.385 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1[O-] ZINC000840997212 969222163 /nfs/dbraw/zinc/22/21/63/969222163.db2.gz NNOTWWDMSQQVRG-NSHDSACASA-N -1 3 342.233 3.150 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1[O-] ZINC000840997212 969222169 /nfs/dbraw/zinc/22/21/69/969222169.db2.gz NNOTWWDMSQQVRG-NSHDSACASA-N -1 3 342.233 3.150 20 10 EGCDHM CCN(CC)c1ccc(CN[C@H](CC(F)(F)F)C(=O)[O-])cc1F ZINC000901778762 980509379 /nfs/dbraw/zinc/50/93/79/980509379.db2.gz NRXAXOCLSRMYOQ-GFCCVEGCSA-N -1 3 336.329 3.167 20 10 EGCDHM CCOc1ccc(CN2CCc3c(cccc3C(=O)[O-])C2)c(O)c1 ZINC001597102287 986728053 /nfs/dbraw/zinc/72/80/53/986728053.db2.gz SMPVYWWDPZPKAG-UHFFFAOYSA-N -1 3 327.380 3.047 20 10 EGCDHM CCOc1ccc(C[N@@H+]2CCc3c(cccc3C(=O)[O-])C2)c([O-])c1 ZINC001597102287 986728060 /nfs/dbraw/zinc/72/80/60/986728060.db2.gz SMPVYWWDPZPKAG-UHFFFAOYSA-N -1 3 327.380 3.047 20 10 EGCDHM CCOc1ccc(C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)c([O-])c1 ZINC001597102287 986728063 /nfs/dbraw/zinc/72/80/63/986728063.db2.gz SMPVYWWDPZPKAG-UHFFFAOYSA-N -1 3 327.380 3.047 20 10 EGCDHM C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593196350 994154230 /nfs/dbraw/zinc/15/42/30/994154230.db2.gz HLGGEFSLDSXMHH-PSVSLLHZSA-N -1 3 333.359 3.002 20 10 EGCDHM O=C(COC(=O)c1cc([O-])cs1)Nc1cc(Cl)ccc1F ZINC000069592186 203024271 /nfs/dbraw/zinc/02/42/71/203024271.db2.gz DGOZZCKZUMRFJV-UHFFFAOYSA-N -1 3 329.736 3.042 20 10 EGCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccoc1 ZINC000158020931 455260823 /nfs/dbraw/zinc/26/08/23/455260823.db2.gz LLDQOYZRDQANAG-OAHLLOKOSA-N -1 3 334.803 3.033 20 10 EGCDHM CCCN(Cc1ccccc1[O-])[C@H](C)c1nnnn1-c1ccccc1 ZINC000076074314 453958854 /nfs/dbraw/zinc/95/88/54/453958854.db2.gz FSIFWPFWYSUSJD-OAHLLOKOSA-N -1 3 337.427 3.341 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3nc(C)no3)C2)c1[O-] ZINC000177262896 454843949 /nfs/dbraw/zinc/84/39/49/454843949.db2.gz DONJPXJYEXNNLT-GFCCVEGCSA-N -1 3 349.818 3.319 20 10 EGCDHM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000177666453 454889886 /nfs/dbraw/zinc/88/98/86/454889886.db2.gz AGYBYJRKKMPITB-INIZCTEOSA-N -1 3 327.380 3.392 20 10 EGCDHM [O-]c1cccc(Cl)c1CNCc1cccc(CN2CCOCC2)c1 ZINC000113324095 454922655 /nfs/dbraw/zinc/92/26/55/454922655.db2.gz FUFMPVXLHYJSCE-UHFFFAOYSA-N -1 3 346.858 3.168 20 10 EGCDHM Cc1ccc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c([O-])c1O ZINC000179448704 455049551 /nfs/dbraw/zinc/04/95/51/455049551.db2.gz DIBBIWAPZFXZKQ-MRXNPFEDSA-N -1 3 341.407 3.228 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCCC(C)=O ZINC000184871142 455464680 /nfs/dbraw/zinc/46/46/80/455464680.db2.gz APIJLMHXNZNXBQ-UHFFFAOYSA-N -1 3 342.233 3.263 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC1CC(C)C1 ZINC000267989595 455575889 /nfs/dbraw/zinc/57/58/89/455575889.db2.gz HHAPTEQOSFDUPR-UHFFFAOYSA-N -1 3 341.249 3.485 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000193146592 455744652 /nfs/dbraw/zinc/74/46/52/455744652.db2.gz IKNKIVCADMDBJA-LLVKDONJSA-N -1 3 333.771 3.045 20 10 EGCDHM CC[C@@H](NCc1cc(C)nc(N2CCCC2)n1)c1ccc(F)cc1[O-] ZINC000293848470 455799673 /nfs/dbraw/zinc/79/96/73/455799673.db2.gz XDLQGCHKNDCNJI-QGZVFWFLSA-N -1 3 344.434 3.471 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000285305957 455821647 /nfs/dbraw/zinc/82/16/47/455821647.db2.gz WDWBSIJVWCTYPP-ZFWWWQNUSA-N -1 3 326.234 3.298 20 10 EGCDHM COc1c([O-])c(CN2CC[C@H](C(F)(F)F)C2(C)C)ccc1[N+](=O)[O-] ZINC000278397836 455835402 /nfs/dbraw/zinc/83/54/02/455835402.db2.gz NQOUKVFESVVSGU-NSHDSACASA-N -1 3 348.321 3.472 20 10 EGCDHM O=C(c1ccccc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000269353874 455842104 /nfs/dbraw/zinc/84/21/04/455842104.db2.gz LQLPNQIPYXKAQF-UHFFFAOYSA-N -1 3 330.815 3.004 20 10 EGCDHM [O-]c1cccc2c1[C@@H](NCc1nnc3ccc(C(F)(F)F)cn31)CC2 ZINC000296189386 455875593 /nfs/dbraw/zinc/87/55/93/455875593.db2.gz YMUZLCHOQOQLRN-LBPRGKRZSA-N -1 3 348.328 3.231 20 10 EGCDHM C[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000187713068 455943312 /nfs/dbraw/zinc/94/33/12/455943312.db2.gz VVXDRHBJODCJAB-LRDDRELGSA-N -1 3 348.393 3.021 20 10 EGCDHM CC[C@H](NCc1nncn1CC)c1cc(Br)ccc1[O-] ZINC000230971645 456142196 /nfs/dbraw/zinc/14/21/96/456142196.db2.gz GGPFLEPDSYWGAS-LBPRGKRZSA-N -1 3 339.237 3.007 20 10 EGCDHM COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000273377045 456227020 /nfs/dbraw/zinc/22/70/20/456227020.db2.gz HLXBLZBLKVOYBG-LLVKDONJSA-N -1 3 332.356 3.168 20 10 EGCDHM C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Cl)ccc1[O-] ZINC000273489442 456235482 /nfs/dbraw/zinc/23/54/82/456235482.db2.gz OAUOLOSIMRZBPI-SUMWQHHRSA-N -1 3 344.842 3.497 20 10 EGCDHM CC(C)OCc1nc([C@@H](C)NCc2c([O-])cccc2Cl)no1 ZINC000290870871 456453527 /nfs/dbraw/zinc/45/35/27/456453527.db2.gz KFPHVDQBJZBQEE-SNVBAGLBSA-N -1 3 325.796 3.204 20 10 EGCDHM CC[C@H](N[C@@H](C)c1ncnn1C)c1cc(Br)ccc1[O-] ZINC000276718481 456560288 /nfs/dbraw/zinc/56/02/88/456560288.db2.gz XJVLDRFZVCBKHO-CABZTGNLSA-N -1 3 339.237 3.085 20 10 EGCDHM CN(C)C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000282656467 456582564 /nfs/dbraw/zinc/58/25/64/456582564.db2.gz IIGAWTVAJGRLOP-MRXNPFEDSA-N -1 3 349.818 3.346 20 10 EGCDHM CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000277231098 456734944 /nfs/dbraw/zinc/73/49/44/456734944.db2.gz MFEWRFDVBTYKLU-HBNTYKKESA-N -1 3 333.392 3.344 20 10 EGCDHM CON(C(=O)c1cccc(O)c1[O-])[C@@H]1CCCOc2ccccc21 ZINC000376092938 458192063 /nfs/dbraw/zinc/19/20/63/458192063.db2.gz GQXIBGISWVCHOO-CQSZACIVSA-N -1 3 329.352 3.015 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCC(c2cn[nH]c2)CC1 ZINC000372434026 458302615 /nfs/dbraw/zinc/30/26/15/458302615.db2.gz UQIDHCXZYQINME-UHFFFAOYSA-N -1 3 336.233 3.257 20 10 EGCDHM CC[C@@H](NCc1cnnn1CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000527912596 459770832 /nfs/dbraw/zinc/77/08/32/459770832.db2.gz FRFRVENKZUEWSN-CYBMUJFWSA-N -1 3 328.338 3.263 20 10 EGCDHM Cc1nccn1-c1ccc(CNC(=O)c2cc([O-])cs2)cc1F ZINC000731871266 575213602 /nfs/dbraw/zinc/21/36/02/575213602.db2.gz IIHUUIPNEQNHAQ-UHFFFAOYSA-N -1 3 331.372 3.017 20 10 EGCDHM Cn1ccnc1COc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731871517 575214420 /nfs/dbraw/zinc/21/44/20/575214420.db2.gz HHGQVUNASOXIPG-UHFFFAOYSA-N -1 3 329.381 3.019 20 10 EGCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1cccc2ncccc21 ZINC000731910870 575218654 /nfs/dbraw/zinc/21/86/54/575218654.db2.gz FEYCNEMVUJZENH-JTQLQIEISA-N -1 3 342.376 3.186 20 10 EGCDHM Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cc([O-])cs2)cc1C ZINC000731910255 575218761 /nfs/dbraw/zinc/21/87/61/575218761.db2.gz QIQCPLQUBAUUHN-GFCCVEGCSA-N -1 3 333.409 3.105 20 10 EGCDHM O=C(OCCCc1nc(-c2ccccc2)no1)c1cc([O-])cs1 ZINC000732352679 575261388 /nfs/dbraw/zinc/26/13/88/575261388.db2.gz BLNPMSRMRBEHJW-UHFFFAOYSA-N -1 3 330.365 3.293 20 10 EGCDHM O=C(O[C@H]1CCN(c2ccccc2Cl)C1=O)c1cc([O-])cs1 ZINC000732352987 575261455 /nfs/dbraw/zinc/26/14/55/575261455.db2.gz JPDAWXAVZAPWJW-LBPRGKRZSA-N -1 3 337.784 3.069 20 10 EGCDHM [O-]c1ccc(Cl)cc1CNCc1ccnc(OC2CCOCC2)c1 ZINC000733330309 575328725 /nfs/dbraw/zinc/32/87/25/575328725.db2.gz SPDCTENMAHQADV-UHFFFAOYSA-N -1 3 348.830 3.288 20 10 EGCDHM C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000736591825 575988199 /nfs/dbraw/zinc/98/81/99/575988199.db2.gz BAKNQDHKOXVYBC-VXMWWYGOSA-N -1 3 347.480 3.359 20 10 EGCDHM NC(=O)CC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092660340 1292883907 /nfs/dbraw/zinc/88/39/07/1292883907.db2.gz GLFUOJLHAJIHBB-SNVBAGLBSA-N -1 3 331.243 3.177 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccc(F)cc3)CC2)c1[O-] ZINC000097395032 1292960615 /nfs/dbraw/zinc/96/06/15/1292960615.db2.gz LFTUVERKKYLJFR-UHFFFAOYSA-N -1 3 346.377 3.195 20 10 EGCDHM CCc1ccc([O-])c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000132793321 1293729610 /nfs/dbraw/zinc/72/96/10/1293729610.db2.gz OPQZOKRAHDKXTI-UHFFFAOYSA-N -1 3 326.396 3.044 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2ccc3c(c2)OCO3)c1[O-] ZINC000177235243 1294661024 /nfs/dbraw/zinc/66/10/24/1294661024.db2.gz MWQIBLGCEIKBJG-UHFFFAOYSA-N -1 3 331.343 3.095 20 10 EGCDHM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cc(F)ccc1[O-] ZINC000179911115 1294838526 /nfs/dbraw/zinc/83/85/26/1294838526.db2.gz SEJCKWOMLKHJMX-LBPRGKRZSA-N -1 3 337.416 3.128 20 10 EGCDHM CC1CCN(c2cccc(NC(=O)c3cccc4n[n-]nc43)c2)CC1 ZINC000188106491 1295438069 /nfs/dbraw/zinc/43/80/69/1295438069.db2.gz GLWATMPUCDVHPU-UHFFFAOYSA-N -1 3 335.411 3.447 20 10 EGCDHM Cc1cc(N2CCSCC2)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000192994115 1295824898 /nfs/dbraw/zinc/82/48/98/1295824898.db2.gz KNAJFCKCTHKUMJ-UHFFFAOYSA-N -1 3 344.436 3.212 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2c2ccccc2)c1[O-] ZINC000750827702 1299459869 /nfs/dbraw/zinc/45/98/69/1299459869.db2.gz VYQRTPYFUIHBDD-SFHVURJKSA-N -1 3 329.371 3.307 20 10 EGCDHM COC(=O)[C@@]1(F)CCN(Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000751934845 1299657381 /nfs/dbraw/zinc/65/73/81/1299657381.db2.gz AQBWYMBLZNOYJF-LJQANCHMSA-N -1 3 343.354 3.379 20 10 EGCDHM CC(C)c1ccnc(N2CCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC000768533861 1302927217 /nfs/dbraw/zinc/92/72/17/1302927217.db2.gz KMXNUDDSLBSWIN-UHFFFAOYSA-N -1 3 346.862 3.281 20 10 EGCDHM CNC(=O)COc1ccc(N[C@@H](C)c2c([O-])cccc2F)c(C)c1 ZINC000886605387 1303520005 /nfs/dbraw/zinc/52/00/05/1303520005.db2.gz PNLHVMNCEWAHFM-LBPRGKRZSA-N -1 3 332.375 3.138 20 10 EGCDHM COc1c([O-])c(CNc2ccc(-n3ccnc3)cc2)ccc1[N+](=O)[O-] ZINC000774916774 1303878074 /nfs/dbraw/zinc/87/80/74/1303878074.db2.gz ZBLHKHOQPVLCIT-UHFFFAOYSA-N -1 3 340.339 3.107 20 10 EGCDHM CCN(CC)c1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cn1 ZINC000775033327 1303892000 /nfs/dbraw/zinc/89/20/00/1303892000.db2.gz LYWRLKVIYBUZJD-UHFFFAOYSA-N -1 3 346.387 3.162 20 10 EGCDHM COc1c([O-])c(CNc2cnn(CC(C)C)c2C)ccc1[N+](=O)[O-] ZINC000775051916 1303895999 /nfs/dbraw/zinc/89/59/99/1303895999.db2.gz QSUPYCXYFOGWCN-UHFFFAOYSA-N -1 3 334.376 3.082 20 10 EGCDHM CNC(=O)c1ccc(CN(Cc2cc(F)cc(F)c2[O-])C2CC2)cc1 ZINC000893946179 1306140390 /nfs/dbraw/zinc/14/03/90/1306140390.db2.gz MCYYIPXBFWAXHZ-UHFFFAOYSA-N -1 3 346.377 3.195 20 10 EGCDHM COc1cc(CN(C)C(=O)c2cccc(O)c2[O-])ccc1SC ZINC000790598672 1306357274 /nfs/dbraw/zinc/35/72/74/1306357274.db2.gz MQAFQAJOCDXECC-UHFFFAOYSA-N -1 3 333.409 3.101 20 10 EGCDHM CCn1c2ccc(Cl)cc2nc1NC(=O)c1cccc(O)c1[O-] ZINC000790912919 1308885347 /nfs/dbraw/zinc/88/53/47/1308885347.db2.gz YKXWXYLLMYYPGJ-UHFFFAOYSA-N -1 3 331.759 3.373 20 10 EGCDHM C[C@@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895034377 1309164444 /nfs/dbraw/zinc/16/44/44/1309164444.db2.gz QIECMOHKSWPDIW-NXEZZACHSA-N -1 3 348.668 3.258 20 10 EGCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C2CC2)O1 ZINC000793213748 1309319196 /nfs/dbraw/zinc/31/91/96/1309319196.db2.gz FZJVMUIDBXQKOJ-ZUZCIYMTSA-N -1 3 326.234 3.154 20 10 EGCDHM Cc1noc([C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000794141248 1309473354 /nfs/dbraw/zinc/47/33/54/1309473354.db2.gz RRYNRYBETGJVAW-VIFPVBQESA-N -1 3 328.199 3.380 20 10 EGCDHM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cccc(O)c1[O-] ZINC000798010289 1310282921 /nfs/dbraw/zinc/28/29/21/1310282921.db2.gz DVKZFWPRYBGBHJ-QWHCGFSZSA-N -1 3 348.196 3.146 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2C[C@H](O)C[C@H]2c2ccccc2)c1[O-] ZINC000839632323 1320948534 /nfs/dbraw/zinc/94/85/34/1320948534.db2.gz GJDFNVKWECUWJE-AEFFLSMTSA-N -1 3 329.371 3.042 20 10 EGCDHM O=C(NC1CC1)OC[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000811510952 1318190810 /nfs/dbraw/zinc/19/08/10/1318190810.db2.gz ANXONZMKNDZSMH-AWEZNQCLSA-N -1 3 338.835 3.289 20 10 EGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])nn1-c1ccc(F)cc1F ZINC000811545568 1318200430 /nfs/dbraw/zinc/20/04/30/1318200430.db2.gz HVHRUYOLLZQEDA-UHFFFAOYSA-N -1 3 345.305 3.122 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](CO)c3ccccc32)c1[O-] ZINC000814678298 1318798543 /nfs/dbraw/zinc/79/85/43/1318798543.db2.gz AIHOKXZHJJOQMY-CYBMUJFWSA-N -1 3 331.799 3.344 20 10 EGCDHM CCCC(=O)NC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816492757 1319166262 /nfs/dbraw/zinc/16/62/62/1319166262.db2.gz BDHQFDQSJONBPF-UHFFFAOYSA-N -1 3 328.815 3.065 20 10 EGCDHM [O-]c1c(CNCc2n[nH]cc2Br)ccc2ccccc21 ZINC000816553283 1319181756 /nfs/dbraw/zinc/18/17/56/1319181756.db2.gz OZCPGRJNLRKQMA-UHFFFAOYSA-N -1 3 332.201 3.321 20 10 EGCDHM CC[C@@H](NCc1ccc(Br)cc1[O-])C(=O)OC(C)(C)C ZINC000825436177 1320337437 /nfs/dbraw/zinc/33/74/37/1320337437.db2.gz QNHCWXLTPPODMT-GFCCVEGCSA-N -1 3 344.249 3.365 20 10 EGCDHM COC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])c1ccc(OC)cc1 ZINC000825555196 1320346763 /nfs/dbraw/zinc/34/67/63/1320346763.db2.gz FKMOIYZFGWQKRU-KRWDZBQOSA-N -1 3 349.814 3.367 20 10 EGCDHM CCN(Cc1ccccc1)c1ccc(CNC[C@@H](F)C(=O)[O-])cc1 ZINC000841815283 1321318005 /nfs/dbraw/zinc/31/80/05/1321318005.db2.gz HIZZNQGZSNFHLQ-GOSISDBHSA-N -1 3 330.403 3.225 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(OC3CCC3)CC2)c1[O-] ZINC000841888090 1321326506 /nfs/dbraw/zinc/32/65/06/1321326506.db2.gz DPMIYPMBKPQDBR-UHFFFAOYSA-N -1 3 340.807 3.487 20 10 EGCDHM CCN(Cc1snnc1C)Cc1cc(Br)ccc1[O-] ZINC000844300950 1321587534 /nfs/dbraw/zinc/58/75/34/1321587534.db2.gz NSXOJBFLRXXELG-UHFFFAOYSA-N -1 3 342.262 3.337 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)C[C@@H](C2CC2)O1 ZINC000862350639 1329476990 /nfs/dbraw/zinc/47/69/90/1329476990.db2.gz CYXICTJKJMZMCI-BONVTDFDSA-N -1 3 326.234 3.154 20 10 EGCDHM CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001183395305 1387306595 /nfs/dbraw/zinc/30/65/95/1387306595.db2.gz KWGFXQCDBIVOMA-GFCCVEGCSA-N -1 3 327.371 3.224 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCCC[C@@H]1CO ZINC001184167651 1387407589 /nfs/dbraw/zinc/40/75/89/1387407589.db2.gz XUQJPEDHVPNIEB-YPMHNXCESA-N -1 3 348.830 3.009 20 10 EGCDHM O=C(c1ccc([O-])cc1C(F)(F)F)N1CCc2cccc(O)c2C1 ZINC001193745132 1368106277 /nfs/dbraw/zinc/10/62/77/1368106277.db2.gz DLDFIGRJJKCCEJ-UHFFFAOYSA-N -1 3 337.297 3.315 20 10 EGCDHM COC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C ZINC001203579546 1370177101 /nfs/dbraw/zinc/17/71/01/1370177101.db2.gz ANQJKRPKYNOLRD-BXKDBHETSA-N -1 3 332.227 3.473 20 10 EGCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(Cl)ccc1[O-] ZINC001203650884 1370201356 /nfs/dbraw/zinc/20/13/56/1370201356.db2.gz FTRONPITWCMBTE-LBPRGKRZSA-N -1 3 340.851 3.487 20 10 EGCDHM CC(C)(C)OC(=O)NC1(C)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203663961 1370207119 /nfs/dbraw/zinc/20/71/19/1370207119.db2.gz IERSNTDAYNHZIP-UHFFFAOYSA-N -1 3 326.824 3.145 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCN(c2ncccc2Cl)CC1 ZINC001203664321 1370207498 /nfs/dbraw/zinc/20/74/98/1370207498.db2.gz YJBMFCZKXOUGGG-UHFFFAOYSA-N -1 3 338.238 3.416 20 10 EGCDHM CCC(=O)[C@H](CC)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380717 1375248982 /nfs/dbraw/zinc/24/89/82/1375248982.db2.gz ZXORPECSVDGKRT-HNNXBMFYSA-N -1 3 338.359 3.304 20 10 EGCDHM [O-]c1cc(O)c(CN2CCOC[C@H]2Cc2ccccc2)cc1Cl ZINC001232263083 1376426345 /nfs/dbraw/zinc/42/63/45/1376426345.db2.gz FTUWUAYWEASCPY-OAHLLOKOSA-N -1 3 333.815 3.195 20 10 EGCDHM CCOC(=O)CN(Cc1cc(Cl)c(OC)cc1[O-])C1CCCC1 ZINC001232270371 1376427581 /nfs/dbraw/zinc/42/75/81/1376427581.db2.gz BCIYTFXGOKQXCB-UHFFFAOYSA-N -1 3 341.835 3.362 20 10 EGCDHM COC(=O)c1ccc2c(c1)CN(Cc1cc(Cl)c(OC)cc1[O-])C2 ZINC001232268374 1376428136 /nfs/dbraw/zinc/42/81/36/1376428136.db2.gz MSTCVXYMEPYFKQ-UHFFFAOYSA-N -1 3 347.798 3.357 20 10 EGCDHM COC(=O)c1cc(Br)c([O-])c(CN2C3CCC2CC3)c1 ZINC001233308183 1376607933 /nfs/dbraw/zinc/60/79/33/1376607933.db2.gz GAUOKSQCQUWXAN-UHFFFAOYSA-N -1 3 340.217 3.068 20 10 EGCDHM Cc1cccnc1O[C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336431 1376621847 /nfs/dbraw/zinc/62/18/47/1376621847.db2.gz LKDHIVMALIUFEL-CYBMUJFWSA-N -1 3 334.366 3.417 20 10 EGCDHM C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1c([O-])cccc1F ZINC001137838891 1377626933 /nfs/dbraw/zinc/62/69/33/1377626933.db2.gz MDZOINGRBODWLE-OLZOCXBDSA-N -1 3 338.423 3.409 20 10 EGCDHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2c([O-])cccc2F)C1 ZINC001137840161 1377627987 /nfs/dbraw/zinc/62/79/87/1377627987.db2.gz SAMUMVZSJISPNS-OLZOCXBDSA-N -1 3 338.423 3.266 20 10 EGCDHM O=C(N[C@@H]1CCCN(Cc2c([O-])cccc2F)C1)c1cccc(F)c1 ZINC001137841416 1377628292 /nfs/dbraw/zinc/62/82/92/1377628292.db2.gz DRAFYKMZXBMDFM-OAHLLOKOSA-N -1 3 346.377 3.065 20 10 EGCDHM [O-]c1ccc(F)cc1CN1CC[C@H](N2CCCCC2)C(F)(F)C1 ZINC001140056284 1377996794 /nfs/dbraw/zinc/99/67/94/1377996794.db2.gz PLODQAWVWHUIHK-INIZCTEOSA-N -1 3 328.378 3.227 20 10 EGCDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN1Cc1c([O-])cccc1Cl ZINC001140341738 1378050363 /nfs/dbraw/zinc/05/03/63/1378050363.db2.gz FPNRSOMYQZQFHS-CQSZACIVSA-N -1 3 326.824 3.444 20 10 EGCDHM O=C(c1ccccc1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461637 1378066027 /nfs/dbraw/zinc/06/60/27/1378066027.db2.gz OHEGOGSXDWFWMO-UHFFFAOYSA-N -1 3 330.815 3.004 20 10 EGCDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC001140462475 1378067116 /nfs/dbraw/zinc/06/71/16/1378067116.db2.gz GYRNPHGMBVXQHU-LBPRGKRZSA-N -1 3 340.851 3.487 20 10 EGCDHM CCCc1noc([C@@H]2CCCN(Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140584352 1378090340 /nfs/dbraw/zinc/09/03/40/1378090340.db2.gz OGFVQXNAJUICDF-LLVKDONJSA-N -1 3 337.370 3.386 20 10 EGCDHM C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCC[C@H]1O ZINC001141367780 1378311493 /nfs/dbraw/zinc/31/14/93/1378311493.db2.gz PSZNYYFCCPWSLN-NOZJJQNGSA-N -1 3 348.668 3.401 20 10 EGCDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001142509184 1378451189 /nfs/dbraw/zinc/45/11/89/1378451189.db2.gz ZTHYWQUIHGKAFZ-OTYXRUKQSA-N -1 3 339.304 3.196 20 10 EGCDHM CC(C)OCCN(CCOC(C)C)Cc1cc(F)c(F)cc1[O-] ZINC001142520945 1378452511 /nfs/dbraw/zinc/45/25/11/1378452511.db2.gz RTZZCHHYTLNBLE-UHFFFAOYSA-N -1 3 331.403 3.322 20 10 EGCDHM O=C(Nc1nc(F)cc(C(F)(F)F)c1F)c1cccc(O)c1[O-] ZINC001148212975 1379134199 /nfs/dbraw/zinc/13/41/99/1379134199.db2.gz STXPNWYLODGNDT-UHFFFAOYSA-N -1 3 334.200 3.042 20 10 EGCDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])c(Br)c1 ZINC001148218584 1379134730 /nfs/dbraw/zinc/13/47/30/1379134730.db2.gz GNKBYFIHYSZHRZ-UHFFFAOYSA-N -1 3 338.157 3.121 20 10 EGCDHM O=C(Nc1ccc2sc(Cl)nc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148587111 1379218150 /nfs/dbraw/zinc/21/81/50/1379218150.db2.gz DIWUAMSGCFFVOU-UHFFFAOYSA-N -1 3 336.756 3.319 20 10 EGCDHM O=C1Cc2cc(NCc3cc(Cl)c4cccnc4c3[O-])ncc2N1 ZINC001157724921 1381016056 /nfs/dbraw/zinc/01/60/56/1381016056.db2.gz YHCVACJGFXWYBC-UHFFFAOYSA-N -1 3 340.770 3.096 20 10 EGCDHM COc1nccc(NCc2cc(Cl)c3cccnc3c2[O-])c1N ZINC001168521979 1383928877 /nfs/dbraw/zinc/92/88/77/1383928877.db2.gz MTEUWNHBNZAADL-UHFFFAOYSA-N -1 3 330.775 3.192 20 10 EGCDHM O=C(c1ccncc1)c1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175432223 1385286645 /nfs/dbraw/zinc/28/66/45/1385286645.db2.gz WLAFBRIPECGDGD-UHFFFAOYSA-N -1 3 342.362 3.236 20 10 EGCDHM Cc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[O-] ZINC000826267447 1443600564 /nfs/dbraw/zinc/60/05/64/1443600564.db2.gz GMCHWHBCAYWEHR-LLVKDONJSA-N -1 3 343.818 3.385 20 10 EGCDHM O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000325695115 971237216 /nfs/dbraw/zinc/23/72/16/971237216.db2.gz PKIPPWBAKNZKQG-MRXNPFEDSA-N -1 3 339.313 3.384 20 10 EGCDHM O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000325695115 971237219 /nfs/dbraw/zinc/23/72/19/971237219.db2.gz PKIPPWBAKNZKQG-MRXNPFEDSA-N -1 3 339.313 3.384 20 10 EGCDHM C[C@@H](C(=O)[O-])[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC001602821790 971630336 /nfs/dbraw/zinc/63/03/36/971630336.db2.gz RDMPKWMBGSOEPP-AWEZNQCLSA-N -1 3 341.407 3.409 20 10 EGCDHM C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC001602821790 971630339 /nfs/dbraw/zinc/63/03/39/971630339.db2.gz RDMPKWMBGSOEPP-AWEZNQCLSA-N -1 3 341.407 3.409 20 10 EGCDHM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cc1F ZINC001596288564 983708022 /nfs/dbraw/zinc/70/80/22/983708022.db2.gz PCXDTKZNLPVBFY-GOSISDBHSA-N -1 3 346.402 3.293 20 10 EGCDHM COc1cccc([O-])c1C[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001599680170 994966691 /nfs/dbraw/zinc/96/66/91/994966691.db2.gz DOKRRRFSTRLOAR-AWEZNQCLSA-N -1 3 329.396 3.124 20 10 EGCDHM COc1cccc([O-])c1C[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001599680170 994966702 /nfs/dbraw/zinc/96/67/02/994966702.db2.gz DOKRRRFSTRLOAR-AWEZNQCLSA-N -1 3 329.396 3.124 20 10 EGCDHM C[C@@H](NCc1nnc2n1CCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000278251613 455798817 /nfs/dbraw/zinc/79/88/17/455798817.db2.gz MPJRVPWYQKAHQK-MRVPVSSYSA-N -1 3 327.215 3.088 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCC([C@H]2CCOC2)CC1 ZINC000373253682 458443656 /nfs/dbraw/zinc/44/36/56/458443656.db2.gz VVMGLDQOYKNZLD-ZDUSSCGKSA-N -1 3 340.261 3.403 20 10 EGCDHM Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c([O-])c1 ZINC000120829305 454352888 /nfs/dbraw/zinc/35/28/88/454352888.db2.gz ODPNQZAAZVAWFJ-INIZCTEOSA-N -1 3 341.407 3.228 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](CCO)c2ccccc2)c1[O-] ZINC000079465169 454419903 /nfs/dbraw/zinc/41/99/03/454419903.db2.gz RCTCEGLGGUWLRX-SFHVURJKSA-N -1 3 331.387 3.289 20 10 EGCDHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093420546 454715665 /nfs/dbraw/zinc/71/56/65/454715665.db2.gz PWJPEJVRQIEQEL-CABCVRRESA-N -1 3 347.480 3.313 20 10 EGCDHM CCN(Cc1cn(C)nc1C)Cc1cc(Br)ccc1[O-] ZINC000093866934 454740790 /nfs/dbraw/zinc/74/07/90/454740790.db2.gz CCVUAEDJSZRSFS-UHFFFAOYSA-N -1 3 338.249 3.219 20 10 EGCDHM Cn1cc(C[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)cn1 ZINC000093870272 454743577 /nfs/dbraw/zinc/74/35/77/454743577.db2.gz BCUZSNMLANDOJY-NSHDSACASA-N -1 3 340.254 3.497 20 10 EGCDHM CC(C)(C)c1nc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)no1 ZINC000109761398 454835085 /nfs/dbraw/zinc/83/50/85/454835085.db2.gz YKKAEDMJOGXBSW-OAHLLOKOSA-N -1 3 345.443 3.254 20 10 EGCDHM CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])cc1 ZINC000109769971 454836205 /nfs/dbraw/zinc/83/62/05/454836205.db2.gz CYLLBEOBHVQFQU-CYBMUJFWSA-N -1 3 326.396 3.054 20 10 EGCDHM CN(Cc1ccc(S(=O)(=O)C(F)F)cc1)Cc1ccccc1[O-] ZINC000111235112 454859292 /nfs/dbraw/zinc/85/92/92/454859292.db2.gz AOJXWEYIKKQNRH-UHFFFAOYSA-N -1 3 341.379 3.021 20 10 EGCDHM CCCN(Cc1noc(C2CCOCC2)n1)Cc1ccccc1[O-] ZINC000170779090 454975923 /nfs/dbraw/zinc/97/59/23/454975923.db2.gz MFPBKDTURDCWBX-UHFFFAOYSA-N -1 3 331.416 3.081 20 10 EGCDHM [O-]c1ccc(F)cc1CNc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000191625104 455504671 /nfs/dbraw/zinc/50/46/71/455504671.db2.gz WIXVIZHDKXRHBC-UHFFFAOYSA-N -1 3 338.386 3.272 20 10 EGCDHM CC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000155581963 455018820 /nfs/dbraw/zinc/01/88/20/455018820.db2.gz HUOYTJGYAXZNBS-NSHDSACASA-N -1 3 331.243 3.047 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)c([O-])c1O ZINC000179520279 455055545 /nfs/dbraw/zinc/05/55/45/455055545.db2.gz NAPVCZOPWSHBKN-WMLDXEAASA-N -1 3 341.407 3.317 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC1CC1 ZINC000173665798 455325295 /nfs/dbraw/zinc/32/52/95/455325295.db2.gz QGNYPORLHKQZBR-UHFFFAOYSA-N -1 3 327.222 3.096 20 10 EGCDHM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c([O-])c1O ZINC000182477704 455521204 /nfs/dbraw/zinc/52/12/04/455521204.db2.gz IZUSDICTRYORSU-AWEZNQCLSA-N -1 3 329.371 3.250 20 10 EGCDHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(O)c1[O-])CCC2 ZINC000185859984 455635819 /nfs/dbraw/zinc/63/58/19/455635819.db2.gz BWWPVSFKPJBKTB-GFCCVEGCSA-N -1 3 332.425 3.266 20 10 EGCDHM Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c([O-])c1O ZINC000185978295 455667081 /nfs/dbraw/zinc/66/70/81/455667081.db2.gz IACQNYMASJBXAK-OAHLLOKOSA-N -1 3 347.798 3.273 20 10 EGCDHM C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000186262256 455728105 /nfs/dbraw/zinc/72/81/05/455728105.db2.gz ZXFPVVWYJCDQLI-GFCCVEGCSA-N -1 3 345.830 3.155 20 10 EGCDHM CCS(=O)(=O)C[C@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192993065 455731748 /nfs/dbraw/zinc/73/17/48/455731748.db2.gz CTLCXAYOCNLMBZ-DTWKUNHWSA-N -1 3 340.272 3.173 20 10 EGCDHM CC[C@H](NCc1cc(C)nc(N2CCCC2)n1)c1ccc(F)cc1[O-] ZINC000293848468 455799631 /nfs/dbraw/zinc/79/96/31/455799631.db2.gz XDLQGCHKNDCNJI-KRWDZBQOSA-N -1 3 344.434 3.471 20 10 EGCDHM [O-]c1ccccc1CN(Cc1cc(F)ncc1F)C[C@@H]1CCCO1 ZINC000294622622 455821523 /nfs/dbraw/zinc/82/15/23/455821523.db2.gz YRPSHJMQFYLLFU-HNNXBMFYSA-N -1 3 334.366 3.247 20 10 EGCDHM COC(=O)c1nc([C@@H]2CCCN2Cc2ccccc2[O-])sc1C ZINC000279725915 455871515 /nfs/dbraw/zinc/87/15/15/455871515.db2.gz VFNYINVEBZSRPT-ZDUSSCGKSA-N -1 3 332.425 3.281 20 10 EGCDHM CC[C@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000285980821 455953189 /nfs/dbraw/zinc/95/31/89/455953189.db2.gz HPGUADIGEYFNMV-KRWDZBQOSA-N -1 3 330.403 3.231 20 10 EGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286672492 456051063 /nfs/dbraw/zinc/05/10/63/456051063.db2.gz BQDUTIBHFXHEAK-OAHLLOKOSA-N -1 3 336.775 3.167 20 10 EGCDHM [O-]c1cccc(Cl)c1CNCc1ccncc1OC[C@@H]1CCOC1 ZINC000288514999 456098143 /nfs/dbraw/zinc/09/81/43/456098143.db2.gz UBRJVOHBAAZMTI-CYBMUJFWSA-N -1 3 348.830 3.146 20 10 EGCDHM COc1c([O-])c(CN2CCC[C@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000289970680 456201449 /nfs/dbraw/zinc/20/14/49/456201449.db2.gz ZBHSUZSAHKQBFA-AWEZNQCLSA-N -1 3 329.356 3.041 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(F)cnc2Cl)c1 ZINC000297444291 456222527 /nfs/dbraw/zinc/22/25/27/456222527.db2.gz WLCFQKXEJHIVOI-SECBINFHSA-N -1 3 338.766 3.217 20 10 EGCDHM Cc1cc(Br)cc([C@@H](C)N[C@H](C)c2ncn(C)n2)c1[O-] ZINC000275789430 456314520 /nfs/dbraw/zinc/31/45/20/456314520.db2.gz WYEZMMIUVACQRS-NXEZZACHSA-N -1 3 339.237 3.003 20 10 EGCDHM COC(=O)[C@H](NCc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000276506478 456500648 /nfs/dbraw/zinc/50/06/48/456500648.db2.gz SNZSGHOJUWPMNG-LJQANCHMSA-N -1 3 341.407 3.012 20 10 EGCDHM CCO[C@@H]1C[C@H](NCc2c([O-])ccc(Cl)c2F)[C@]12CCCO2 ZINC000364583406 457648097 /nfs/dbraw/zinc/64/80/97/457648097.db2.gz SQHAZBWYCXEYDB-SQWLQELKSA-N -1 3 329.799 3.001 20 10 EGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000731912171 575218752 /nfs/dbraw/zinc/21/87/52/575218752.db2.gz PUDKLAUMXFLYPL-NXEZZACHSA-N -1 3 337.372 3.016 20 10 EGCDHM CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732279576 575254011 /nfs/dbraw/zinc/25/40/11/575254011.db2.gz LWTNSUAIGVUEDB-ZDUSSCGKSA-N -1 3 338.473 3.002 20 10 EGCDHM O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1cc([O-])cs1 ZINC000732355016 575261915 /nfs/dbraw/zinc/26/19/15/575261915.db2.gz ZUEDQSKIWDWYEF-UHFFFAOYSA-N -1 3 326.757 3.235 20 10 EGCDHM Cc1cc(=O)oc2cc(OCCOC(=O)c3cc([O-])cs3)ccc12 ZINC000740959774 576641115 /nfs/dbraw/zinc/64/11/15/576641115.db2.gz KNSRMZCBAKTSEY-UHFFFAOYSA-N -1 3 346.360 3.104 20 10 EGCDHM CCOC(=O)[C@H](CC)N(CC)Cc1cc(Br)ccc1[O-] ZINC000743873096 576818095 /nfs/dbraw/zinc/81/80/95/576818095.db2.gz JJJOEKGPZOEZOB-ZDUSSCGKSA-N -1 3 344.249 3.318 20 10 EGCDHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1OC(C)C ZINC000055545909 1291785043 /nfs/dbraw/zinc/78/50/43/1291785043.db2.gz LCQQVGDOOPLTNR-UHFFFAOYSA-N -1 3 349.408 3.312 20 10 EGCDHM Cc1ncccc1NC(=O)[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834911051 1293174329 /nfs/dbraw/zinc/17/43/29/1293174329.db2.gz JWYXUWQDFIOAPQ-ONGXEEELSA-N -1 3 335.354 3.052 20 10 EGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1 ZINC000126175923 1293526436 /nfs/dbraw/zinc/52/64/36/1293526436.db2.gz WJPLUWRQZNOHRX-VIFPVBQESA-N -1 3 336.185 3.351 20 10 EGCDHM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000181625270 1294982703 /nfs/dbraw/zinc/98/27/03/1294982703.db2.gz HTNHPCQSCRJMDL-UHFFFAOYSA-N -1 3 332.356 3.189 20 10 EGCDHM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(O)cc3F)c2O1 ZINC000195505051 1296074176 /nfs/dbraw/zinc/07/41/76/1296074176.db2.gz MFNMDXDMOZSNTB-UHFFFAOYSA-N -1 3 337.372 3.046 20 10 EGCDHM Cc1ccc2c(c1)N[C@H](c1c([O-])cccc1Br)NC2=O ZINC000877865680 1299616557 /nfs/dbraw/zinc/61/65/57/1299616557.db2.gz HFKNMRGUMQYPLD-AWEZNQCLSA-N -1 3 333.185 3.317 20 10 EGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000753572256 1299977864 /nfs/dbraw/zinc/97/78/64/1299977864.db2.gz SWPRNKXQEVNZAM-LBPRGKRZSA-N -1 3 343.826 3.202 20 10 EGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000882905185 1302156699 /nfs/dbraw/zinc/15/66/99/1302156699.db2.gz VWPNMCVFIVNPOK-LLVKDONJSA-N -1 3 325.277 3.214 20 10 EGCDHM CCO[C@@H](C)c1noc(CN(C)Cc2c([O-])cccc2Cl)n1 ZINC000769502363 1303129161 /nfs/dbraw/zinc/12/91/61/1303129161.db2.gz LYHAXRDQNFNAAO-JTQLQIEISA-N -1 3 325.796 3.158 20 10 EGCDHM COc1c([O-])c(CN2CCOc3ccccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000774847735 1303867200 /nfs/dbraw/zinc/86/72/00/1303867200.db2.gz XUZKMXYUTCRWFS-GFCCVEGCSA-N -1 3 344.367 3.265 20 10 EGCDHM Cc1noc(C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)n1 ZINC000775654615 1304005600 /nfs/dbraw/zinc/00/56/00/1304005600.db2.gz MRCWNJFKHZVJOO-UHFFFAOYSA-N -1 3 325.771 3.256 20 10 EGCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1Cl ZINC000776747510 1304192391 /nfs/dbraw/zinc/19/23/91/1304192391.db2.gz FXWUSZUZGPSXDQ-UHFFFAOYSA-N -1 3 327.789 3.163 20 10 EGCDHM CC(=O)N[C@@H]1Cc2ccccc2N(Cc2c([O-])cccc2Cl)C1 ZINC000780778164 1304738044 /nfs/dbraw/zinc/73/80/44/1304738044.db2.gz FGDAMINTNRSYEB-CQSZACIVSA-N -1 3 330.815 3.113 20 10 EGCDHM Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(C)c(O)c3[O-])c2)n[nH]1 ZINC000780958037 1304755317 /nfs/dbraw/zinc/75/53/17/1304755317.db2.gz CSZOSZILMWSWSD-UHFFFAOYSA-N -1 3 338.367 3.060 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCc2ncsc2C1 ZINC000783746462 1305138438 /nfs/dbraw/zinc/13/84/38/1305138438.db2.gz XGFFFSMSJPFZGG-UHFFFAOYSA-N -1 3 325.231 3.170 20 10 EGCDHM CC[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@@H]1O ZINC000894096718 1306218376 /nfs/dbraw/zinc/21/83/76/1306218376.db2.gz YSFSNGCQTJBGQM-UFBFGSQYSA-N -1 3 334.641 3.011 20 10 EGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000790417067 1306322621 /nfs/dbraw/zinc/32/26/21/1306322621.db2.gz FUGWCJDHFTXXBT-UHFFFAOYSA-N -1 3 335.425 3.381 20 10 EGCDHM Cc1ccc(Oc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)nn1 ZINC000790776171 1308862625 /nfs/dbraw/zinc/86/26/25/1308862625.db2.gz GIRITUVFVBBJHV-UHFFFAOYSA-N -1 3 337.335 3.241 20 10 EGCDHM O=C1C[C@@H](NCc2c([O-])ccc(Cl)c2F)CN1c1ccccc1 ZINC000790958153 1308896526 /nfs/dbraw/zinc/89/65/26/1308896526.db2.gz JKZDVBWJKMTZDB-LLVKDONJSA-N -1 3 334.778 3.080 20 10 EGCDHM COc1c([O-])c(CN(C)c2ccc3cc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000793243852 1309328553 /nfs/dbraw/zinc/32/85/53/1309328553.db2.gz YKPGWUAEWXJTGH-UHFFFAOYSA-N -1 3 327.340 3.427 20 10 EGCDHM CC(C)OC(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000895828133 1309540733 /nfs/dbraw/zinc/54/07/33/1309540733.db2.gz KXYWKHXCKFKJJG-UHFFFAOYSA-N -1 3 329.799 3.348 20 10 EGCDHM COc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1O ZINC000797819602 1310252511 /nfs/dbraw/zinc/25/25/11/1310252511.db2.gz OCGBHVGFXMTEPA-UHFFFAOYSA-N -1 3 335.425 3.499 20 10 EGCDHM O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cccc(O)c1[O-] ZINC000800590105 1310786913 /nfs/dbraw/zinc/78/69/13/1310786913.db2.gz KPKOPSVPPZMWNM-UHFFFAOYSA-N -1 3 345.248 3.430 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCOc3cccc(F)c3C2)c1[O-] ZINC000801584063 1310969953 /nfs/dbraw/zinc/96/99/53/1310969953.db2.gz ZEIUZODXLMEQKU-UHFFFAOYSA-N -1 3 333.334 3.268 20 10 EGCDHM O=C(Nc1ccc(F)cc1OC1CCOCC1)c1cccc(O)c1[O-] ZINC000804361544 1317223023 /nfs/dbraw/zinc/22/30/23/1317223023.db2.gz BAKYPRHANIYTFQ-UHFFFAOYSA-N -1 3 347.342 3.047 20 10 EGCDHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1C ZINC000904045522 1317776679 /nfs/dbraw/zinc/77/66/79/1317776679.db2.gz RJXHBWXAOVUBOM-HNNXBMFYSA-N -1 3 343.379 3.038 20 10 EGCDHM C[C@@H](NCc1cc(F)ccc1[O-])c1noc(Cc2ccccc2)n1 ZINC000809658210 1317858088 /nfs/dbraw/zinc/85/80/88/1317858088.db2.gz HPDRWMBAKXNLFW-GFCCVEGCSA-N -1 3 327.359 3.356 20 10 EGCDHM Cc1noc([C@@H]2CCCN2Cc2cc(Br)ccc2[O-])n1 ZINC000809721702 1317876550 /nfs/dbraw/zinc/87/65/50/1317876550.db2.gz XXQQTUAOEDFLLL-LBPRGKRZSA-N -1 3 338.205 3.183 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCOC[C@H](C3CCC3)C2)c1[O-] ZINC000814178690 1318692302 /nfs/dbraw/zinc/69/23/02/1318692302.db2.gz ZVUWAKKUEBEXBH-CYBMUJFWSA-N -1 3 340.807 3.202 20 10 EGCDHM C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1nnnn1C1CC1 ZINC000815620559 1319029990 /nfs/dbraw/zinc/02/99/90/1319029990.db2.gz URTQJGDGUCYBAO-IUCAKERBSA-N -1 3 341.337 3.144 20 10 EGCDHM CN(C)C(=O)OC[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816608465 1319191248 /nfs/dbraw/zinc/19/12/48/1319191248.db2.gz AOWPWFYCLAGOCX-GFCCVEGCSA-N -1 3 344.814 3.237 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1[O-] ZINC000817881701 1319451862 /nfs/dbraw/zinc/45/18/62/1319451862.db2.gz MTNLIZCQRVIYIE-BXKDBHETSA-N -1 3 342.233 3.006 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1[O-] ZINC000817881701 1319451867 /nfs/dbraw/zinc/45/18/67/1319451867.db2.gz MTNLIZCQRVIYIE-BXKDBHETSA-N -1 3 342.233 3.006 20 10 EGCDHM [O-]c1c(Br)cccc1CNc1cc(NC2CC2)ncn1 ZINC000840293045 1321067726 /nfs/dbraw/zinc/06/77/26/1321067726.db2.gz CWVMXKPWGOKWAD-UHFFFAOYSA-N -1 3 335.205 3.131 20 10 EGCDHM COc1c([O-])c(CN2CCCNc3ccccc32)ccc1[N+](=O)[O-] ZINC000841089197 1321216997 /nfs/dbraw/zinc/21/69/97/1321216997.db2.gz IRYUJYSXKRMJRT-UHFFFAOYSA-N -1 3 329.356 3.131 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCCC[C@@H]1CO ZINC001184167649 1387407580 /nfs/dbraw/zinc/40/75/80/1387407580.db2.gz XUQJPEDHVPNIEB-DGCLKSJQSA-N -1 3 348.830 3.009 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)ccc1[O-] ZINC001203651804 1370202249 /nfs/dbraw/zinc/20/22/49/1370202249.db2.gz WKHDJUCRSUKUGH-OKILXGFUSA-N -1 3 338.835 3.239 20 10 EGCDHM COc1cccc(CN2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC001203664229 1370207667 /nfs/dbraw/zinc/20/76/67/1370207667.db2.gz RPPUESPRIFWENO-UHFFFAOYSA-N -1 3 346.858 3.372 20 10 EGCDHM COc1ccc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c(OC)c1 ZINC001216951859 1373369831 /nfs/dbraw/zinc/36/98/31/1373369831.db2.gz MPDJFYFDDSERKN-UHFFFAOYSA-N -1 3 348.742 3.485 20 10 EGCDHM COc1nccc(C)c1-c1noc(-c2ccc([O-])c(O)c2Cl)n1 ZINC001216954387 1373370937 /nfs/dbraw/zinc/37/09/37/1373370937.db2.gz YABQMXDSOPBDPE-UHFFFAOYSA-N -1 3 333.731 3.180 20 10 EGCDHM CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)c([O-])c1 ZINC001219360393 1373704300 /nfs/dbraw/zinc/70/43/00/1373704300.db2.gz BYGVMQJRCHGUHR-UHFFFAOYSA-N -1 3 342.395 3.111 20 10 EGCDHM Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)cc1C ZINC001231447448 1376243305 /nfs/dbraw/zinc/24/33/05/1376243305.db2.gz ULDVPNYSCVNEMS-UHFFFAOYSA-N -1 3 340.423 3.029 20 10 EGCDHM COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])c1 ZINC001231455745 1376244873 /nfs/dbraw/zinc/24/48/73/1376244873.db2.gz UZJXCQICSCIXGW-KRWDZBQOSA-N -1 3 327.380 3.436 20 10 EGCDHM COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])c1 ZINC001231455745 1376244879 /nfs/dbraw/zinc/24/48/79/1376244879.db2.gz UZJXCQICSCIXGW-KRWDZBQOSA-N -1 3 327.380 3.436 20 10 EGCDHM CCOC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2c1cnn2C ZINC001231867181 1376328253 /nfs/dbraw/zinc/32/82/53/1376328253.db2.gz IGJYCGAIEVYYRR-AWEZNQCLSA-N -1 3 349.862 3.223 20 10 EGCDHM CCCc1noc([C@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233078053 1376564382 /nfs/dbraw/zinc/56/43/82/1376564382.db2.gz FDSCBSWAVCDWDA-LBPRGKRZSA-N -1 3 337.370 3.386 20 10 EGCDHM C[C@@H]1CN(Cc2ccccc2)CCN1Cc1c([O-])ccc(F)c1F ZINC001233334474 1376618906 /nfs/dbraw/zinc/61/89/06/1376618906.db2.gz IKBWHKQGWKOUNI-CQSZACIVSA-N -1 3 332.394 3.377 20 10 EGCDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1c([O-])cccc1F ZINC001137831778 1377624100 /nfs/dbraw/zinc/62/41/00/1377624100.db2.gz MXPALEDVUGZUFW-CYBMUJFWSA-N -1 3 338.423 3.363 20 10 EGCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1Cc1c([O-])cccc1F ZINC001137832076 1377624216 /nfs/dbraw/zinc/62/42/16/1377624216.db2.gz ZXQPBAPROMQPNT-ZDUSSCGKSA-N -1 3 338.423 3.363 20 10 EGCDHM [O-]c1cccc(F)c1CN1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001137837308 1377626967 /nfs/dbraw/zinc/62/69/67/1377626967.db2.gz ANHMHPPDKHPAAX-VIFPVBQESA-N -1 3 345.296 3.313 20 10 EGCDHM C[C@@H]1CCN(Cc2c([O-])cccc2F)C[C@@H]1NC(=O)OC(C)(C)C ZINC001137839490 1377627152 /nfs/dbraw/zinc/62/71/52/1377627152.db2.gz ABKWGIPSPMPYOB-DOMZBBRYSA-N -1 3 338.423 3.266 20 10 EGCDHM C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1Cc1c([O-])cccc1F ZINC001137841905 1377628232 /nfs/dbraw/zinc/62/82/32/1377628232.db2.gz ZGAFOZORVBUIOD-SWLSCSKDSA-N -1 3 338.423 3.409 20 10 EGCDHM CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cccc(F)c1[O-] ZINC001138128661 1377681763 /nfs/dbraw/zinc/68/17/63/1377681763.db2.gz TXSIECPGUWNZRE-NOLJZWGESA-N -1 3 335.419 3.474 20 10 EGCDHM O=C1CN(Cc2cc(F)ccc2[O-])CCN1c1cccc(Cl)c1 ZINC001140058461 1377997980 /nfs/dbraw/zinc/99/79/80/1377997980.db2.gz AYHARORHUZGTQM-UHFFFAOYSA-N -1 3 334.778 3.034 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCO[C@@H](c2ccncc2)C1 ZINC001140103282 1378008763 /nfs/dbraw/zinc/00/87/63/1378008763.db2.gz HRTLXOCDESCJAU-MRXNPFEDSA-N -1 3 349.228 3.123 20 10 EGCDHM CN(C(=O)OC(C)(C)C)C1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140461014 1378066075 /nfs/dbraw/zinc/06/60/75/1378066075.db2.gz BBDFUWSVFSLCOG-UHFFFAOYSA-N -1 3 326.824 3.097 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC2(COC2)CC1 ZINC001141367630 1378311237 /nfs/dbraw/zinc/31/12/37/1378311237.db2.gz IPQUJNGHJLUQDX-UHFFFAOYSA-N -1 3 346.652 3.421 20 10 EGCDHM COCC[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142517731 1378452355 /nfs/dbraw/zinc/45/23/55/1378452355.db2.gz YDRNQYQSUPMSTE-FZKQIMNGSA-N -1 3 341.398 3.078 20 10 EGCDHM CC1(C)CN(Cc2cc(Br)c(F)cc2[O-])[C@](C)(CO)C1 ZINC001144299269 1378712786 /nfs/dbraw/zinc/71/27/86/1378712786.db2.gz UHVILBRACQVRNA-HNNXBMFYSA-N -1 3 346.240 3.277 20 10 EGCDHM CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)c([O-])cc1F ZINC001144667066 1378757243 /nfs/dbraw/zinc/75/72/43/1378757243.db2.gz QSGIRAXPVFNDAV-UHFFFAOYSA-N -1 3 348.393 3.139 20 10 EGCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(C=Cc3ccccc32)CC1 ZINC001148582219 1379215980 /nfs/dbraw/zinc/21/59/80/1379215980.db2.gz GACXZPXOHZLAAH-UHFFFAOYSA-N -1 3 337.375 3.004 20 10 EGCDHM O=C(Nc1cccc(F)c1N1CCCCC1)c1cc(O)c([O-])c(O)c1 ZINC001148586569 1379218190 /nfs/dbraw/zinc/21/81/90/1379218190.db2.gz SILLXAWNPMJUBQ-UHFFFAOYSA-N -1 3 346.358 3.185 20 10 EGCDHM O=C(CNc1ccc2c(c1)nc1cc[nH]cc2-1)c1ccc([O-])c(O)c1 ZINC001170322688 1384290490 /nfs/dbraw/zinc/29/04/90/1384290490.db2.gz MBGBPBHTQDBVLS-UHFFFAOYSA-N -1 3 333.347 3.422 20 10 EGCDHM CC(=O)c1ccc(C(=O)[N-]c2c3nonc3ccc2Cl)c(F)c1 ZINC001329519923 1389140502 /nfs/dbraw/zinc/14/05/02/1389140502.db2.gz RATHNWYBYBSJRR-UHFFFAOYSA-N -1 3 333.706 3.470 20 10 EGCDHM CCN(Cc1cnn(C)c1)Cc1cc(Br)cc(F)c1[O-] ZINC001331528332 1389783973 /nfs/dbraw/zinc/78/39/73/1389783973.db2.gz GTIRIRBFHAFRRD-UHFFFAOYSA-N -1 3 342.212 3.049 20 10 EGCDHM O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001574753067 957726204 /nfs/dbraw/zinc/72/62/04/957726204.db2.gz QJVNBXRHCUBZIM-KRWDZBQOSA-N -1 3 327.380 3.020 20 10 EGCDHM O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001574753067 957726209 /nfs/dbraw/zinc/72/62/09/957726209.db2.gz QJVNBXRHCUBZIM-KRWDZBQOSA-N -1 3 327.380 3.020 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)c1[O-] ZINC001594059182 958077480 /nfs/dbraw/zinc/07/74/80/958077480.db2.gz YNFXUPNQTVIYHG-CQSZACIVSA-N -1 3 339.750 3.109 20 10 EGCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@H](O)c1ccc(F)cc1 ZINC001593196352 994153938 /nfs/dbraw/zinc/15/39/38/994153938.db2.gz HLGGEFSLDSXMHH-RVPKQNPDSA-N -1 3 333.359 3.002 20 10 EGCDHM C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239328 994422136 /nfs/dbraw/zinc/42/21/36/994422136.db2.gz DNJWADUWNYYPEB-BBATYDOGSA-N -1 3 349.814 3.302 20 10 EGCDHM C[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257442 994529113 /nfs/dbraw/zinc/52/91/13/994529113.db2.gz NRXMXJOVWKIWIV-RHSMWYFYSA-N -1 3 340.423 3.016 20 10 EGCDHM COc1ccc(C)cc1CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599533161 997695051 /nfs/dbraw/zinc/69/50/51/997695051.db2.gz HDBNDLIMBPXUAR-ZDUSSCGKSA-N -1 3 329.396 3.301 20 10 EGCDHM CN(C)C(=O)CC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000180325667 455158056 /nfs/dbraw/zinc/15/80/56/455158056.db2.gz YSHKLIMRWJSLSD-UHFFFAOYSA-N -1 3 345.270 3.389 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC[C@H](C)OC ZINC000183921801 455339853 /nfs/dbraw/zinc/33/98/53/455339853.db2.gz MSCCTOAJFIRQBR-NSHDSACASA-N -1 3 344.249 3.318 20 10 EGCDHM CCCN(Cc1ccccc1[O-])[C@@H](C)c1nnnn1-c1ccccc1 ZINC000076074311 453958500 /nfs/dbraw/zinc/95/85/00/453958500.db2.gz FSIFWPFWYSUSJD-HNNXBMFYSA-N -1 3 337.427 3.341 20 10 EGCDHM CN(Cc1c([O-])cccc1Cl)C[C@H](O)COCc1ccccc1 ZINC000119583954 454205853 /nfs/dbraw/zinc/20/58/53/454205853.db2.gz AFLPQECVISXSNE-HNNXBMFYSA-N -1 3 335.831 3.055 20 10 EGCDHM COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1cc(F)ccc1[O-])N2 ZINC000106899601 454729449 /nfs/dbraw/zinc/72/94/49/454729449.db2.gz NNLFMROYLPZXEW-QGZVFWFLSA-N -1 3 328.343 3.269 20 10 EGCDHM COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000109769638 454835417 /nfs/dbraw/zinc/83/54/17/454835417.db2.gz NWVJVQJHWIHZLD-HUUCEWRRSA-N -1 3 342.439 3.099 20 10 EGCDHM C[C@H](NC(=O)CN(C)Cc1ccccc1[O-])c1ccccc1Cl ZINC000109769342 454836170 /nfs/dbraw/zinc/83/61/70/454836170.db2.gz CHNDSGHTKHGIOJ-ZDUSSCGKSA-N -1 3 332.831 3.355 20 10 EGCDHM Cc1ccc(C(=O)N(CCc2cccc(F)c2)C2CC2)c([O-])c1O ZINC000179498965 455052803 /nfs/dbraw/zinc/05/28/03/455052803.db2.gz USSXUPADIWBSRC-UHFFFAOYSA-N -1 3 329.371 3.393 20 10 EGCDHM Cc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c([O-])c1O ZINC000182956641 455199189 /nfs/dbraw/zinc/19/91/89/455199189.db2.gz XDWFJNBFUIMNQR-UHFFFAOYSA-N -1 3 342.351 3.119 20 10 EGCDHM [O-]c1cccc(Cl)c1CNCc1ccnc(OC2CCOCC2)c1 ZINC000264974148 455298108 /nfs/dbraw/zinc/29/81/08/455298108.db2.gz RSHKKZNCCPNFBF-UHFFFAOYSA-N -1 3 348.830 3.288 20 10 EGCDHM CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1ccc(F)cc1[O-] ZINC000185195729 455519791 /nfs/dbraw/zinc/51/97/91/455519791.db2.gz PYEKZHCBMBHMCW-CQSZACIVSA-N -1 3 330.403 3.231 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c([O-])c1O ZINC000182569353 455543307 /nfs/dbraw/zinc/54/33/07/455543307.db2.gz WQAMHBFSEMKERC-LBPRGKRZSA-N -1 3 345.420 3.345 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000268311390 455647448 /nfs/dbraw/zinc/64/74/48/455647448.db2.gz XQRSWBBWYFVSOQ-WBVHZDCISA-N -1 3 347.386 3.415 20 10 EGCDHM C[C@H](NCc1cccnc1OCC(F)F)c1cc(F)ccc1[O-] ZINC000186199527 455715893 /nfs/dbraw/zinc/71/58/93/455715893.db2.gz YBCRLOKYMUJBQJ-JTQLQIEISA-N -1 3 326.318 3.421 20 10 EGCDHM CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192993028 455731557 /nfs/dbraw/zinc/73/15/57/455731557.db2.gz CTLCXAYOCNLMBZ-BDAKNGLRSA-N -1 3 340.272 3.173 20 10 EGCDHM CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192993055 455731689 /nfs/dbraw/zinc/73/16/89/455731689.db2.gz CTLCXAYOCNLMBZ-RKDXNWHRSA-N -1 3 340.272 3.173 20 10 EGCDHM CC(C)N1CC[C@@H](N[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1=O ZINC000192998224 455732675 /nfs/dbraw/zinc/73/26/75/455732675.db2.gz HIQVPEWWUZNZGB-TVQRCGJNSA-N -1 3 331.243 3.359 20 10 EGCDHM CC(=O)N1CCN(Cc2cccc(Cl)c2[O-])CC12CCCCC2 ZINC000271869885 455793738 /nfs/dbraw/zinc/79/37/38/455793738.db2.gz RWJBITDEMGRMCM-UHFFFAOYSA-N -1 3 336.863 3.413 20 10 EGCDHM COc1c([O-])c(CNC2(c3nccs3)CCCC2)ccc1[N+](=O)[O-] ZINC000278537545 455839318 /nfs/dbraw/zinc/83/93/18/455839318.db2.gz WNXYADCXLCAIRS-UHFFFAOYSA-N -1 3 349.412 3.325 20 10 EGCDHM O=C1CN(Cc2c([O-])ccc3ccccc32)CN1CCC(F)(F)F ZINC000295119571 455840646 /nfs/dbraw/zinc/84/06/46/455840646.db2.gz XDTUKADTFJNFLH-UHFFFAOYSA-N -1 3 338.329 3.100 20 10 EGCDHM CCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000278836001 455850435 /nfs/dbraw/zinc/85/04/35/455850435.db2.gz JHALUMAKIQUYPG-UHFFFAOYSA-N -1 3 348.355 3.328 20 10 EGCDHM Cc1ccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c([O-])c1O ZINC000279903283 455876301 /nfs/dbraw/zinc/87/63/01/455876301.db2.gz VAECDLGRDHTBPW-UHFFFAOYSA-N -1 3 345.239 3.363 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2nc(C)no2)c1[O-] ZINC000285710199 455901013 /nfs/dbraw/zinc/90/10/13/455901013.db2.gz PMMPDQZROCDKJR-HNNXBMFYSA-N -1 3 333.363 3.153 20 10 EGCDHM C[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])C(=O)NCc1ccccc1 ZINC000187671627 455936953 /nfs/dbraw/zinc/93/69/53/455936953.db2.gz SIROLXRHXLKLPK-RYUDHWBXSA-N -1 3 334.366 3.026 20 10 EGCDHM CCOc1cc2c(cc1NC(=O)c1cccc(O)c1[O-])O[C@H](C)C2 ZINC000274936572 456268155 /nfs/dbraw/zinc/26/81/55/456268155.db2.gz DETRFPBLIFGRPF-SNVBAGLBSA-N -1 3 329.352 3.072 20 10 EGCDHM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cccc(O)c1[O-] ZINC000275068732 456270354 /nfs/dbraw/zinc/27/03/54/456270354.db2.gz ATFIVZYCGYOADW-UHFFFAOYSA-N -1 3 343.379 3.156 20 10 EGCDHM COc1cc(Cl)cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000290881856 456456094 /nfs/dbraw/zinc/45/60/94/456456094.db2.gz KVZUBRLTOTUGKW-CYBMUJFWSA-N -1 3 342.226 3.351 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1c1ccco1 ZINC000369774408 457392821 /nfs/dbraw/zinc/39/28/21/457392821.db2.gz UAFDCBMAUINKNY-CYBMUJFWSA-N -1 3 338.201 3.321 20 10 EGCDHM Cc1ccc(C(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)c([O-])c1O ZINC000366452133 457812955 /nfs/dbraw/zinc/81/29/55/457812955.db2.gz BGBIQSZGBDQYKH-HXUWFJFHSA-N -1 3 339.391 3.016 20 10 EGCDHM COc1c([O-])c(CNc2c[nH]nc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000373210362 458431485 /nfs/dbraw/zinc/43/14/85/458431485.db2.gz YWMBUTKMDXSTOP-UHFFFAOYSA-N -1 3 340.339 3.311 20 10 EGCDHM O=C(NCCOc1ccc(C(F)(F)F)cc1)c1cc([O-])cs1 ZINC000731871352 575213592 /nfs/dbraw/zinc/21/35/92/575213592.db2.gz CPNRWCLECRIODS-UHFFFAOYSA-N -1 3 331.315 3.281 20 10 EGCDHM O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cc([O-])cs1 ZINC000731869751 575213918 /nfs/dbraw/zinc/21/39/18/575213918.db2.gz DWDWYSMWFAWZJU-INIZCTEOSA-N -1 3 331.393 3.106 20 10 EGCDHM O=C(Nc1cccc(CN2CCSCC2)c1)c1cc([O-])cs1 ZINC000731873183 575214077 /nfs/dbraw/zinc/21/40/77/575214077.db2.gz ZNFFDDXGRAPTCB-UHFFFAOYSA-N -1 3 334.466 3.255 20 10 EGCDHM Cc1ccc(-c2nc(CCNC(=O)c3cc([O-])cs3)co2)cc1 ZINC000731872685 575214359 /nfs/dbraw/zinc/21/43/59/575214359.db2.gz OWOTVZWXHIWWAJ-UHFFFAOYSA-N -1 3 328.393 3.390 20 10 EGCDHM CCc1ccc([C@H](C)NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)cc1 ZINC000732354058 575261722 /nfs/dbraw/zinc/26/17/22/575261722.db2.gz ZAZFZSUQKBVMBZ-RYUDHWBXSA-N -1 3 347.436 3.439 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](NCc2nccs2)C1 ZINC000733334547 575328593 /nfs/dbraw/zinc/32/85/93/575328593.db2.gz LVHINMFYANXTTJ-AWEZNQCLSA-N -1 3 337.876 3.256 20 10 EGCDHM [O-]c1ccc(Br)cc1CN[C@@H](CO)c1ccc(F)cc1 ZINC000734850951 575560884 /nfs/dbraw/zinc/56/08/84/575560884.db2.gz SOQGTHDKOXIJGC-AWEZNQCLSA-N -1 3 340.192 3.117 20 10 EGCDHM Cc1ccc(F)c(N2CCC[C@@H](N(C)Cc3ccccc3[O-])C2=O)c1 ZINC000735670813 575697448 /nfs/dbraw/zinc/69/74/48/575697448.db2.gz UHDCUMICBISUKE-QGZVFWFLSA-N -1 3 342.414 3.467 20 10 EGCDHM CCOc1ccc(N(C)Cc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC000736644805 575997755 /nfs/dbraw/zinc/99/77/55/575997755.db2.gz PQNJGIJVVLTNII-UHFFFAOYSA-N -1 3 348.410 3.155 20 10 EGCDHM CCOc1ccc(N(C)Cc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC000736644805 575997756 /nfs/dbraw/zinc/99/77/56/575997756.db2.gz PQNJGIJVVLTNII-UHFFFAOYSA-N -1 3 348.410 3.155 20 10 EGCDHM CC1=C(C(=O)[O-])C[C@@H](CN(Cc2ccco2)Cc2ccccc2O)O1 ZINC000833579168 605359945 /nfs/dbraw/zinc/35/99/45/605359945.db2.gz AYNJUHGIOAETSL-INIZCTEOSA-N -1 3 343.379 3.135 20 10 EGCDHM Cc1ncccc1NC(=O)[C@H](C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834911048 1293174280 /nfs/dbraw/zinc/17/42/80/1293174280.db2.gz JWYXUWQDFIOAPQ-KOLCDFICSA-N -1 3 335.354 3.052 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](OCC(C)C)C2)c1[O-] ZINC000120059110 1293301437 /nfs/dbraw/zinc/30/14/37/1293301437.db2.gz JPDZBVDXDZPDJI-OAHLLOKOSA-N -1 3 325.836 3.495 20 10 EGCDHM O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cccc(O)c1[O-] ZINC000185653174 1295277255 /nfs/dbraw/zinc/27/72/55/1295277255.db2.gz XHTMHKQIAYABNH-UHFFFAOYSA-N -1 3 345.248 3.430 20 10 EGCDHM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1cccc(O)c1[O-] ZINC000187110510 1295367273 /nfs/dbraw/zinc/36/72/73/1295367273.db2.gz GCTOGBHGICZXKE-UHFFFAOYSA-N -1 3 328.349 3.179 20 10 EGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc(C2CCCCC2)no1 ZINC000193109403 1295833363 /nfs/dbraw/zinc/83/33/63/1295833363.db2.gz UDDBZJICAKJFHW-SNVBAGLBSA-N -1 3 331.372 3.020 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1Cc2cccc(Br)c2C1 ZINC000713198290 1298269425 /nfs/dbraw/zinc/26/94/25/1298269425.db2.gz DQJHGVSULAGRKU-UHFFFAOYSA-N -1 3 334.169 3.016 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1cc2c(cn1)OCCO2 ZINC000877529401 1299373138 /nfs/dbraw/zinc/37/31/38/1299373138.db2.gz BRDJNBWNNBHDFB-UHFFFAOYSA-N -1 3 341.194 3.155 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3ccsc3)CC2)c1[O-] ZINC000750817242 1299458421 /nfs/dbraw/zinc/45/84/21/1299458421.db2.gz LGXCNWGBJDJBGV-UHFFFAOYSA-N -1 3 348.443 3.113 20 10 EGCDHM Cc1nc(N2CCOCC2)ccc1N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000757620652 1300695699 /nfs/dbraw/zinc/69/56/99/1300695699.db2.gz IPZKDVHGOLZTSE-LLVKDONJSA-N -1 3 349.381 3.384 20 10 EGCDHM [O-]c1c(F)cc(Br)cc1CN[C@H]1CCCc2c[nH]nc21 ZINC000883048482 1302221927 /nfs/dbraw/zinc/22/19/27/1302221927.db2.gz PPQVTUZDDQJDNA-LBPRGKRZSA-N -1 3 340.196 3.184 20 10 EGCDHM Cc1nc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)sc1C ZINC000769499442 1303128353 /nfs/dbraw/zinc/12/83/53/1303128353.db2.gz VCVBWZVQFSHOJE-UHFFFAOYSA-N -1 3 337.876 3.441 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(Nc3ncccn3)cc2)c([O-])c1O ZINC000769665122 1303154813 /nfs/dbraw/zinc/15/48/13/1303154813.db2.gz PGJLLHIGWIJAOF-UHFFFAOYSA-N -1 3 336.351 3.192 20 10 EGCDHM C[C@H](NCc1cccc(C(=O)NC2CC2)c1)c1c([O-])cccc1F ZINC000886516634 1303483612 /nfs/dbraw/zinc/48/36/12/1303483612.db2.gz RDBZSFYSRDXOQR-LBPRGKRZSA-N -1 3 328.387 3.274 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000773698855 1303725265 /nfs/dbraw/zinc/72/52/65/1303725265.db2.gz UWDXOHDOXFTJBZ-UHFFFAOYSA-N -1 3 342.782 3.362 20 10 EGCDHM CC[C@H](NCc1nnnn1-c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775495796 1303974096 /nfs/dbraw/zinc/97/40/96/1303974096.db2.gz CFJGZJQBVAJQPG-HNNXBMFYSA-N -1 3 343.818 3.262 20 10 EGCDHM COC(=O)[C@@H](NCc1cc(Cl)ccc1[O-])c1cc(F)ccc1F ZINC000779178022 1304539009 /nfs/dbraw/zinc/53/90/09/1304539009.db2.gz HLTAXTZZNLCFAT-HNNXBMFYSA-N -1 3 341.741 3.328 20 10 EGCDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)sc1Cl ZINC000788874633 1306032940 /nfs/dbraw/zinc/03/29/40/1306032940.db2.gz IGWLIPZOZOABKN-UHFFFAOYSA-N -1 3 344.889 3.254 20 10 EGCDHM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790808071 1308867287 /nfs/dbraw/zinc/86/72/87/1308867287.db2.gz PLUYUIMUPIKIKH-UHFFFAOYSA-N -1 3 343.379 3.234 20 10 EGCDHM Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000790927610 1308890051 /nfs/dbraw/zinc/89/00/51/1308890051.db2.gz LTXBZARMTOPCDY-INIZCTEOSA-N -1 3 340.423 3.147 20 10 EGCDHM CCCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H](CC)C(=O)OCC ZINC000792376290 1309166227 /nfs/dbraw/zinc/16/62/27/1309166227.db2.gz LVQUGDXETFCGFB-INIZCTEOSA-N -1 3 339.407 3.288 20 10 EGCDHM CC1(C)CN(Cc2c([O-])ccc3ccncc32)C[C@@H](C(F)(F)F)O1 ZINC000793678101 1309426538 /nfs/dbraw/zinc/42/65/38/1309426538.db2.gz OXIJYAIIZDDQOE-HNNXBMFYSA-N -1 3 340.345 3.482 20 10 EGCDHM COc1c([O-])c(CNc2ccc3c(c2)C[C@@H](C)O3)ccc1[N+](=O)[O-] ZINC000897113619 1310186088 /nfs/dbraw/zinc/18/60/88/1310186088.db2.gz DKESYNGPHOOLPE-SNVBAGLBSA-N -1 3 330.340 3.245 20 10 EGCDHM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824926833 1320297213 /nfs/dbraw/zinc/29/72/13/1320297213.db2.gz IAXDGXMDSOZMBE-OAHLLOKOSA-N -1 3 335.835 3.267 20 10 EGCDHM O=C(NCCn1ccc2cc(Cl)ccc21)c1cccc(O)c1[O-] ZINC000804142425 1317195938 /nfs/dbraw/zinc/19/59/38/1317195938.db2.gz KKKJCOWYAXFQCQ-UHFFFAOYSA-N -1 3 330.771 3.136 20 10 EGCDHM COc1ccc([C@H](NCc2ccc(N(C)C)cc2C)C(=O)[O-])cc1F ZINC000901860346 1317488499 /nfs/dbraw/zinc/48/84/99/1317488499.db2.gz IXKGRWQSPMOWGY-SFHVURJKSA-N -1 3 346.402 3.124 20 10 EGCDHM Cc1nn(C)c(NCc2c([O-])cccc2Cl)c1Br ZINC000902230660 1317548686 /nfs/dbraw/zinc/54/86/86/1317548686.db2.gz JVFGMBOREYLUMS-UHFFFAOYSA-N -1 3 330.613 3.462 20 10 EGCDHM C[C@H](NCc1cn(C)cn1)c1cc(Br)cc(Cl)c1[O-] ZINC000903351538 1317690172 /nfs/dbraw/zinc/69/01/72/1317690172.db2.gz LPNWOLOLIBTGJD-QMMMGPOBSA-N -1 3 344.640 3.392 20 10 EGCDHM Cc1nnsc1CN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000813882938 1318650742 /nfs/dbraw/zinc/65/07/42/1318650742.db2.gz BAUCCKZKAWIJSF-LURJTMIESA-N -1 3 346.225 3.305 20 10 EGCDHM O=C1C[C@H](c2ccccc2)N(Cc2cc(Cl)c(F)cc2[O-])CCN1 ZINC000816493818 1319166179 /nfs/dbraw/zinc/16/61/79/1319166179.db2.gz OJDMWSABPBBXCO-MRXNPFEDSA-N -1 3 348.805 3.248 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816666116 1319204809 /nfs/dbraw/zinc/20/48/09/1319204809.db2.gz FCMJTTAHGQNSGI-CVEARBPZSA-N -1 3 338.245 3.298 20 10 EGCDHM CCOC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])c1cccc(O)c1 ZINC000825556514 1320346694 /nfs/dbraw/zinc/34/66/94/1320346694.db2.gz RMWULCMNSWLZPI-KRWDZBQOSA-N -1 3 349.814 3.454 20 10 EGCDHM CC[C@H](NCc1cc(Br)ccc1[O-])C(=O)OC(C)(C)C ZINC000842770706 1321430293 /nfs/dbraw/zinc/43/02/93/1321430293.db2.gz BWFDTWVKFAVMMU-LBPRGKRZSA-N -1 3 344.249 3.365 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nc3c(s2)CCCC3)c1 ZINC000926917957 1327774929 /nfs/dbraw/zinc/77/49/29/1327774929.db2.gz FMRITZFZCCQJBT-LLVKDONJSA-N -1 3 346.452 3.365 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@@H](C2CC2)O1 ZINC000862350638 1329476488 /nfs/dbraw/zinc/47/64/88/1329476488.db2.gz CYXICTJKJMZMCI-BMIGLBTASA-N -1 3 326.234 3.154 20 10 EGCDHM Cc1noc(C)c1CN(C)Cc1c([O-])cccc1Br ZINC000862226471 1329467775 /nfs/dbraw/zinc/46/77/75/1329467775.db2.gz GJBQQDBKZZCXKA-UHFFFAOYSA-N -1 3 325.206 3.392 20 10 EGCDHM Cc1cc([O-])c(CN[C@@H](c2cnn(C)c2)C(F)(F)F)cc1Cl ZINC000862364623 1329478160 /nfs/dbraw/zinc/47/81/60/1329478160.db2.gz FOCAYRQSEPOHIL-ZDUSSCGKSA-N -1 3 333.741 3.481 20 10 EGCDHM O=S(=O)(CC1CCCC1)Nc1ccc([O-])c(Br)c1 ZINC001191523642 1367521135 /nfs/dbraw/zinc/52/11/35/1367521135.db2.gz QKWTYZPOKHJNGO-UHFFFAOYSA-N -1 3 334.235 3.087 20 10 EGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)cc(O)cc1[O-] ZINC001193928466 1368148827 /nfs/dbraw/zinc/14/88/27/1368148827.db2.gz DKQFTRZESVYWQH-UHFFFAOYSA-N -1 3 328.412 3.135 20 10 EGCDHM CC(C)n1cncc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001198118040 1368963196 /nfs/dbraw/zinc/96/31/96/1368963196.db2.gz XEEZKHCBABCGLE-UHFFFAOYSA-N -1 3 344.802 3.301 20 10 EGCDHM Cc1ccccc1C(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203664574 1370208159 /nfs/dbraw/zinc/20/81/59/1370208159.db2.gz LIDCPIRGYNBKJW-UHFFFAOYSA-N -1 3 344.842 3.312 20 10 EGCDHM COc1cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)ccc1Cl ZINC001215325225 1373197782 /nfs/dbraw/zinc/19/77/82/1373197782.db2.gz HLDGQKYHQQZATJ-UHFFFAOYSA-N -1 3 334.715 3.182 20 10 EGCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC[C@@H]3CCC=CO3)cccc21 ZINC001226379352 1375248858 /nfs/dbraw/zinc/24/88/58/1375248858.db2.gz CUTDNKIXRTYKLD-LBPRGKRZSA-N -1 3 336.343 3.239 20 10 EGCDHM Cc1cc([O-])c(CN2CCN3C(=O)c4ccccc4[C@H]3C2)cc1Cl ZINC001231867076 1376328871 /nfs/dbraw/zinc/32/88/71/1376328871.db2.gz HGCBRQZHICYGRI-QGZVFWFLSA-N -1 3 342.826 3.367 20 10 EGCDHM Cc1cc([O-])c(CN2CCN(Cc3ccccc3)C(=O)C2)cc1Cl ZINC001231869914 1376331794 /nfs/dbraw/zinc/33/17/94/1376331794.db2.gz ACAGADAWVKEGDD-UHFFFAOYSA-N -1 3 344.842 3.198 20 10 EGCDHM Cc1cc([O-])c(CN2CC(C)(NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001231871125 1376332957 /nfs/dbraw/zinc/33/29/57/1376332957.db2.gz ZELPILHCPVTTEZ-UHFFFAOYSA-N -1 3 340.851 3.453 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001231910882 1376347563 /nfs/dbraw/zinc/34/75/63/1376347563.db2.gz VEZWMOSWOMDCBZ-DGCLKSJQSA-N -1 3 341.732 3.273 20 10 EGCDHM COC(=O)[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])[C@H]1c1ccccc1 ZINC001233076432 1376563109 /nfs/dbraw/zinc/56/31/09/1376563109.db2.gz NWHFUXODAYGDFE-PBHICJAKSA-N -1 3 347.361 3.407 20 10 EGCDHM CC(C)(C)OC(=O)NCCC1CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335422 1376618188 /nfs/dbraw/zinc/61/81/88/1376618188.db2.gz UNPZRCYWVNDEHV-UHFFFAOYSA-N -1 3 342.386 3.017 20 10 EGCDHM CC(C)(C)OC(=O)[C@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233334813 1376618491 /nfs/dbraw/zinc/61/84/91/1376618491.db2.gz USVXAFJBKMXWEJ-NSHDSACASA-N -1 3 327.371 3.224 20 10 EGCDHM [O-]c1c(CN2CC[C@](CO)(C(F)(F)F)C2)cccc1C(F)(F)F ZINC001233415837 1376641692 /nfs/dbraw/zinc/64/16/92/1376641692.db2.gz JZMHCYCLZGJCFV-LBPRGKRZSA-N -1 3 343.267 3.158 20 10 EGCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2c([O-])cccc2F)CC12CC2 ZINC001137832041 1377624328 /nfs/dbraw/zinc/62/43/28/1377624328.db2.gz XZSWEXMBVMJZLM-OAHLLOKOSA-N -1 3 336.407 3.020 20 10 EGCDHM C[C@@H]1CCN(Cc2cccc(F)c2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001138131316 1377683376 /nfs/dbraw/zinc/68/33/76/1377683376.db2.gz WAPXGADOQJLPMZ-DOMZBBRYSA-N -1 3 338.423 3.266 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])c(F)ccc2F)CCC[C@@]1(O)C(F)(F)F ZINC001139684133 1377933891 /nfs/dbraw/zinc/93/38/91/1377933891.db2.gz HVVNNFVGGGVJCD-OTYXRUKQSA-N -1 3 339.304 3.196 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CC2(C1)C[C@@H](F)CS2 ZINC001140104001 1378008751 /nfs/dbraw/zinc/00/87/51/1378008751.db2.gz YEUNLCZRWZYHAN-SECBINFHSA-N -1 3 332.238 3.184 20 10 EGCDHM CC(C)=CCN1CC[C@@]2(CCCN2Cc2c([O-])cccc2F)C1=O ZINC001273266130 1378093769 /nfs/dbraw/zinc/09/37/69/1378093769.db2.gz QMIILUGVPDDRJX-IBGZPJMESA-N -1 3 332.419 3.064 20 10 EGCDHM Cc1ccnc(O[C@H]2CCCN(Cc3cc(F)c(F)cc3[O-])C2)c1 ZINC001142530831 1378454366 /nfs/dbraw/zinc/45/43/66/1378454366.db2.gz MHIJNHOIZKDWDC-AWEZNQCLSA-N -1 3 334.366 3.417 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@]2(CCCO2)C1 ZINC001144298937 1378712942 /nfs/dbraw/zinc/71/29/42/1378712942.db2.gz MGDZXRFOCKQQCT-AWEZNQCLSA-N -1 3 330.197 3.049 20 10 EGCDHM O=C1CCC[C@H]2CN(Cc3cc(Br)c(F)cc3[O-])C[C@H]12 ZINC001144308461 1378715257 /nfs/dbraw/zinc/71/52/57/1378715257.db2.gz NEKLFFNDNRPSSD-ONGXEEELSA-N -1 3 342.208 3.095 20 10 EGCDHM O=C(NCc1ccccc1N1CCCCCC1)c1cccc(O)c1[O-] ZINC001148219912 1379134711 /nfs/dbraw/zinc/13/47/11/1379134711.db2.gz FJTGTXVAHJHGMW-UHFFFAOYSA-N -1 3 340.423 3.408 20 10 EGCDHM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1cc(O)c([O-])c(O)c1 ZINC001148590760 1379219742 /nfs/dbraw/zinc/21/97/42/1379219742.db2.gz ORYSVMLNTVBEPY-QIZIZJAASA-N -1 3 339.391 3.116 20 10 EGCDHM [O-]c1cc2ccccc2cc1CN[C@H](F)Oc1ccc(Cl)nn1 ZINC001160213867 1382035665 /nfs/dbraw/zinc/03/56/65/1382035665.db2.gz PERALYOMXQHFGD-INIZCTEOSA-N -1 3 333.750 3.411 20 10 EGCDHM [O-]c1c(CNc2cn3ccnc3cn2)cc(Cl)c2cccnc12 ZINC001168523202 1383930000 /nfs/dbraw/zinc/93/00/00/1383930000.db2.gz LVHSHPPIMUQIAS-UHFFFAOYSA-N -1 3 325.759 3.249 20 10 EGCDHM COc1cc(C)c(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001168527875 1383930617 /nfs/dbraw/zinc/93/06/17/1383930617.db2.gz OAWZZLWYOVUUQB-UHFFFAOYSA-N -1 3 330.775 3.313 20 10 EGCDHM CCN(CC)Cc1cccc(NCC(=O)c2ccc([O-])c(O)c2)c1F ZINC001170320498 1384290130 /nfs/dbraw/zinc/29/01/30/1384290130.db2.gz DNCMYYITZKUXNP-UHFFFAOYSA-N -1 3 346.402 3.374 20 10 EGCDHM CCC[C@@](C)([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)[O-] ZINC001595560180 981446822 /nfs/dbraw/zinc/44/68/22/981446822.db2.gz UBZVXPDDEMMRRZ-CQSZACIVSA-N -1 3 330.222 3.196 20 10 EGCDHM COc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001599667205 994749107 /nfs/dbraw/zinc/74/91/07/994749107.db2.gz XWICWQHYVSWRJW-OLZOCXBDSA-N -1 3 329.396 3.381 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@@H]1CCCO1 ZINC000075417015 453891294 /nfs/dbraw/zinc/89/12/94/453891294.db2.gz DRQDXZDYAVVSGN-ZDUSSCGKSA-N -1 3 342.233 3.072 20 10 EGCDHM COCCOC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093339530 454704572 /nfs/dbraw/zinc/70/45/72/454704572.db2.gz ZVFZCMZZDCCBSH-UHFFFAOYSA-N -1 3 334.243 3.326 20 10 EGCDHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093416958 454714810 /nfs/dbraw/zinc/71/48/10/454714810.db2.gz QDPHIOVTAHIXPW-OAHLLOKOSA-N -1 3 347.480 3.314 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCO[C@H](c2ccco2)C1 ZINC000093841115 454738993 /nfs/dbraw/zinc/73/89/93/454738993.db2.gz CHOOWUWCLQBDKO-HNNXBMFYSA-N -1 3 338.201 3.321 20 10 EGCDHM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(C)Cc1ccccc1[O-] ZINC000109770572 454835971 /nfs/dbraw/zinc/83/59/71/454835971.db2.gz VNTPKWONUGBOFC-CQSZACIVSA-N -1 3 330.403 3.183 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2ccc([S@@](C)=O)cc2)c1[O-] ZINC000175812441 455500147 /nfs/dbraw/zinc/50/01/47/455500147.db2.gz MDWLHHLTKXRCGN-XMMPIXPASA-N -1 3 349.427 3.103 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)c([O-])c1O ZINC000179520257 455055447 /nfs/dbraw/zinc/05/54/47/455055447.db2.gz NAPVCZOPWSHBKN-RHSMWYFYSA-N -1 3 341.407 3.317 20 10 EGCDHM CN(Cc1ncc(Cl)n1C)Cc1cc(Br)ccc1[O-] ZINC000181139994 455293830 /nfs/dbraw/zinc/29/38/30/455293830.db2.gz REHZLNLFWQVAOF-UHFFFAOYSA-N -1 3 344.640 3.174 20 10 EGCDHM Cc1ccc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c([O-])c1O ZINC000184030378 455348571 /nfs/dbraw/zinc/34/85/71/455348571.db2.gz TWVYCCHWIRRISK-LLVKDONJSA-N -1 3 333.334 3.314 20 10 EGCDHM [O-]c1cc(F)cc(CNCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000185488152 455566202 /nfs/dbraw/zinc/56/62/02/455566202.db2.gz ZPJUYJUJSRNSMF-UHFFFAOYSA-N -1 3 344.430 3.030 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000271334194 455602092 /nfs/dbraw/zinc/60/20/92/455602092.db2.gz NQDZJZGNJZLPMX-DNVCBOLYSA-N -1 3 347.842 3.370 20 10 EGCDHM O=C(C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-])c1cccs1 ZINC000185809247 455626859 /nfs/dbraw/zinc/62/68/59/455626859.db2.gz SFLOMMMOXWCRSB-LLVKDONJSA-N -1 3 331.393 3.037 20 10 EGCDHM CCOc1ccc(OC)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278555809 455840662 /nfs/dbraw/zinc/84/06/62/455840662.db2.gz APCQBWCSHKYIMM-UHFFFAOYSA-N -1 3 348.355 3.328 20 10 EGCDHM CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1nc(C)cs1 ZINC000278914317 455852197 /nfs/dbraw/zinc/85/21/97/455852197.db2.gz TUGBYIQIDYFLMA-NSHDSACASA-N -1 3 337.401 3.315 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2nc(C)no2)c1[O-] ZINC000285710203 455901734 /nfs/dbraw/zinc/90/17/34/455901734.db2.gz PMMPDQZROCDKJR-OAHLLOKOSA-N -1 3 333.363 3.153 20 10 EGCDHM CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(F)ccc2[O-])s1 ZINC000280189326 455912341 /nfs/dbraw/zinc/91/23/41/455912341.db2.gz SERRVCMXXSLCSN-SNVBAGLBSA-N -1 3 343.445 3.237 20 10 EGCDHM CC[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(F)cc1[O-] ZINC000286101018 455978260 /nfs/dbraw/zinc/97/82/60/455978260.db2.gz MORNHVYHNWFOPY-QGZVFWFLSA-N -1 3 343.402 3.031 20 10 EGCDHM CC(C)c1nc(-c2ccccc2NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000188253614 456030187 /nfs/dbraw/zinc/03/01/87/456030187.db2.gz JCHALLZHDXDZGP-UHFFFAOYSA-N -1 3 338.367 3.259 20 10 EGCDHM COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272794992 456072416 /nfs/dbraw/zinc/07/24/16/456072416.db2.gz XLTXXIREEIJAID-CYBMUJFWSA-N -1 3 327.380 3.045 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC(c3cc(C)[nH]n3)CC2)c1[O-] ZINC000272922753 456114265 /nfs/dbraw/zinc/11/42/65/456114265.db2.gz JATOXUUTNPRAEP-UHFFFAOYSA-N -1 3 331.391 3.145 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC(c3cc(C)n[nH]3)CC2)c1[O-] ZINC000272922753 456114269 /nfs/dbraw/zinc/11/42/69/456114269.db2.gz JATOXUUTNPRAEP-UHFFFAOYSA-N -1 3 331.391 3.145 20 10 EGCDHM [O-]c1ccc(F)cc1CNCc1ccncc1OCC(F)(F)F ZINC000281358422 456211733 /nfs/dbraw/zinc/21/17/33/456211733.db2.gz UUGOEIHDLIAVCC-UHFFFAOYSA-N -1 3 330.281 3.157 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000290030401 456220722 /nfs/dbraw/zinc/22/07/22/456220722.db2.gz VVLIPEJFICXNDW-AWEZNQCLSA-N -1 3 337.782 3.031 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000273382865 456227434 /nfs/dbraw/zinc/22/74/34/456227434.db2.gz ISOBMXWOLDFAKU-NEPJUHHUSA-N -1 3 344.367 3.499 20 10 EGCDHM CCCOc1ncccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273427555 456229842 /nfs/dbraw/zinc/22/98/42/456229842.db2.gz UQXBKLCUSKHUOR-LBPRGKRZSA-N -1 3 331.372 3.335 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(F)cc(OC)c2)c1 ZINC000273467749 456232808 /nfs/dbraw/zinc/23/28/08/456232808.db2.gz JCLIFDDGBMDUBP-NSHDSACASA-N -1 3 333.359 3.177 20 10 EGCDHM CCc1nnc(CN[C@@H](C)c2ccc(Br)cc2[O-])s1 ZINC000290099538 456240023 /nfs/dbraw/zinc/24/00/23/456240023.db2.gz HYATXMDEISPUSC-QMMMGPOBSA-N -1 3 342.262 3.419 20 10 EGCDHM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cccc(O)c1[O-] ZINC000275398415 456273745 /nfs/dbraw/zinc/27/37/45/456273745.db2.gz DPLUGPSBSVVASG-BDJLRTHQSA-N -1 3 347.798 3.353 20 10 EGCDHM CCCN(Cc1ccccc1[O-])Cc1c(Cl)ncnc1N(C)C ZINC000283023599 456692372 /nfs/dbraw/zinc/69/23/72/456692372.db2.gz HBSVFFOASBMFSQ-UHFFFAOYSA-N -1 3 334.851 3.314 20 10 EGCDHM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc([O-])cs1 ZINC000731865588 575213364 /nfs/dbraw/zinc/21/33/64/575213364.db2.gz NIXDTZVFTBTONE-UHFFFAOYSA-N -1 3 341.436 3.245 20 10 EGCDHM O=C(Nc1cccc(I)c1)c1cc([O-])cs1 ZINC000732266524 575250391 /nfs/dbraw/zinc/25/03/91/575250391.db2.gz FITWLUQYNAIDFK-UHFFFAOYSA-N -1 3 345.161 3.311 20 10 EGCDHM CCC[C@H](NC(=O)COC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732353411 575261500 /nfs/dbraw/zinc/26/15/00/575261500.db2.gz HKXCBIOMTJGUMA-AWEZNQCLSA-N -1 3 333.409 3.268 20 10 EGCDHM CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)c1 ZINC000732354215 575261635 /nfs/dbraw/zinc/26/16/35/575261635.db2.gz HVBGREMBSOBFBA-SECBINFHSA-N -1 3 337.422 3.360 20 10 EGCDHM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354522 575261647 /nfs/dbraw/zinc/26/16/47/575261647.db2.gz UFUZLIZKBBXPMB-NWDGAFQWSA-N -1 3 333.409 3.185 20 10 EGCDHM CN(C(=O)COC(=O)c1cc([O-])cs1)[C@@H]1CCCc2ccccc21 ZINC000732354665 575261908 /nfs/dbraw/zinc/26/19/08/575261908.db2.gz PWFNRBCMQVWGHA-OAHLLOKOSA-N -1 3 345.420 3.147 20 10 EGCDHM [O-]c1ccc(Br)cc1CN[C@H](CO)c1ccc(F)cc1 ZINC000734850952 575560707 /nfs/dbraw/zinc/56/07/07/575560707.db2.gz SOQGTHDKOXIJGC-CQSZACIVSA-N -1 3 340.192 3.117 20 10 EGCDHM C[N@H+](Cc1cc(F)ccc1[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694490 605482957 /nfs/dbraw/zinc/48/29/57/605482957.db2.gz UKZZEDKNWIVKKB-HNNXBMFYSA-N -1 3 343.276 3.206 20 10 EGCDHM C[N@@H+](Cc1cc(F)ccc1[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694490 605482959 /nfs/dbraw/zinc/48/29/59/605482959.db2.gz UKZZEDKNWIVKKB-HNNXBMFYSA-N -1 3 343.276 3.206 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2nc3c(s2)CCC3)CC1 ZINC000834527692 1293111070 /nfs/dbraw/zinc/11/10/70/1293111070.db2.gz GGUUHVBHZYODIZ-UHFFFAOYSA-N -1 3 344.436 3.063 20 10 EGCDHM C[C@@H](NCc1nnc(C2CC2)[nH]1)c1cccc(C(F)(F)F)c1[O-] ZINC000834870145 1293159716 /nfs/dbraw/zinc/15/97/16/1293159716.db2.gz GWLMDMKMQOVBFD-MRVPVSSYSA-N -1 3 326.322 3.257 20 10 EGCDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1Br ZINC000126457755 1293535676 /nfs/dbraw/zinc/53/56/76/1293535676.db2.gz ZMICVISTFZPBDI-UHFFFAOYSA-N -1 3 338.157 3.121 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCN(CC(F)(F)C(F)F)CC1 ZINC000126466498 1293535861 /nfs/dbraw/zinc/53/58/61/1293535861.db2.gz NJTTUSHQDLHOMF-UHFFFAOYSA-N -1 3 340.748 3.064 20 10 EGCDHM CNC(=O)CCOc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000130882106 1293671715 /nfs/dbraw/zinc/67/17/15/1293671715.db2.gz GSYBRQMNKTWYAC-UHFFFAOYSA-N -1 3 334.803 3.173 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cn2)c([O-])c1O ZINC000182167107 1295024558 /nfs/dbraw/zinc/02/45/58/1295024558.db2.gz RHSQRDMGEVPDOY-UHFFFAOYSA-N -1 3 327.384 3.044 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCN(Cc2ccc(O)cc2)CC1 ZINC000877707674 1299496277 /nfs/dbraw/zinc/49/62/77/1299496277.db2.gz YVMZMLPKLUGIAE-UHFFFAOYSA-N -1 3 332.831 3.069 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(NC(C)=O)c2)c1 ZINC000756794288 1300568517 /nfs/dbraw/zinc/56/85/17/1300568517.db2.gz CHKYVIQIRDDYEH-LLVKDONJSA-N -1 3 328.368 3.310 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc3c(c2)C[C@@H](OC)C3)c1 ZINC000760882030 1301358588 /nfs/dbraw/zinc/35/85/88/1301358588.db2.gz IOCUJKJYNBPJOP-PXAZEXFGSA-N -1 3 341.407 3.466 20 10 EGCDHM C[C@H](NCc1cccnc1OCC(F)F)c1c([O-])cccc1F ZINC000886558599 1303501267 /nfs/dbraw/zinc/50/12/67/1303501267.db2.gz OMEHEHUWWUMBTN-JTQLQIEISA-N -1 3 326.318 3.421 20 10 EGCDHM C[C@H](N[C@@H](CCO)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000886802073 1303603111 /nfs/dbraw/zinc/60/31/11/1303603111.db2.gz YHZIMDVGSZHGLJ-CPCISQLKSA-N -1 3 342.155 3.119 20 10 EGCDHM COc1c([O-])c(CN2C[C@H](C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000775069861 1303901330 /nfs/dbraw/zinc/90/13/30/1303901330.db2.gz VNPBYCKRXQYKRX-NSHDSACASA-N -1 3 330.340 3.097 20 10 EGCDHM CCOc1ccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1OCC ZINC000776331520 1304135686 /nfs/dbraw/zinc/13/56/86/1304135686.db2.gz YCKUNOAPWVVGCM-GFCCVEGCSA-N -1 3 345.395 3.386 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@@H](CO)CC1 ZINC000894866289 1309106682 /nfs/dbraw/zinc/10/66/82/1309106682.db2.gz NSGAVLVPYQEGAS-SNVBAGLBSA-N -1 3 348.668 3.403 20 10 EGCDHM COCCCC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000792554946 1309185167 /nfs/dbraw/zinc/18/51/67/1309185167.db2.gz HBWRPTZOEVDMBB-INIZCTEOSA-N -1 3 329.396 3.386 20 10 EGCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C2CC2)O1 ZINC000793213745 1309318614 /nfs/dbraw/zinc/31/86/14/1309318614.db2.gz FZJVMUIDBXQKOJ-BMIGLBTASA-N -1 3 326.234 3.154 20 10 EGCDHM CC1=Nc2ccccc2C12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000898245265 1310644053 /nfs/dbraw/zinc/64/40/53/1310644053.db2.gz HQMPLUXZIALZLC-UHFFFAOYSA-N -1 3 336.391 3.378 20 10 EGCDHM CCN(Cc1nncs1)Cc1cc(Br)ccc1[O-] ZINC000929755329 1328689371 /nfs/dbraw/zinc/68/93/71/1328689371.db2.gz LOPMSBDBAFFOML-UHFFFAOYSA-N -1 3 328.235 3.028 20 10 EGCDHM Cc1nnsc1CN[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000813882939 1318650921 /nfs/dbraw/zinc/65/09/21/1318650921.db2.gz BAUCCKZKAWIJSF-ZCFIWIBFSA-N -1 3 346.225 3.305 20 10 EGCDHM CN(C)C(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816608466 1319193748 /nfs/dbraw/zinc/19/37/48/1319193748.db2.gz AOWPWFYCLAGOCX-LBPRGKRZSA-N -1 3 344.814 3.237 20 10 EGCDHM CC(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1[O-] ZINC000816866081 1319236810 /nfs/dbraw/zinc/23/68/10/1319236810.db2.gz GNYAKJKTFSFPIC-UHFFFAOYSA-N -1 3 338.407 3.125 20 10 EGCDHM CCCN(CC(=O)OC)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000918175591 1319928369 /nfs/dbraw/zinc/92/83/69/1319928369.db2.gz JHNDIJZWCMREEO-UHFFFAOYSA-N -1 3 331.412 3.402 20 10 EGCDHM COC(=O)c1cnc([C@H](C)NCc2cc(Cl)c(F)cc2[O-])s1 ZINC000822497462 1320089408 /nfs/dbraw/zinc/08/94/08/1320089408.db2.gz DWUBEQVSIFDYHO-ZETCQYMHSA-N -1 3 344.795 3.279 20 10 EGCDHM C[C@@H]1CN(c2cccc(Cl)c2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000846226373 1321778434 /nfs/dbraw/zinc/77/84/34/1321778434.db2.gz LQOXXCPECVKNOZ-GFCCVEGCSA-N -1 3 346.814 3.102 20 10 EGCDHM O=c1[n-]ccc(NCc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000853235098 1325069222 /nfs/dbraw/zinc/06/92/22/1325069222.db2.gz JYCUSVYMYGOLOH-UHFFFAOYSA-N -1 3 328.372 3.298 20 10 EGCDHM O=c1[n-]ccc(Nc2ccc(NC[C@H]3CCCO3)c(F)c2)c1[N+](=O)[O-] ZINC000853362998 1325085312 /nfs/dbraw/zinc/08/53/12/1325085312.db2.gz LBWIIMGZWFZGOR-LLVKDONJSA-N -1 3 348.334 3.169 20 10 EGCDHM CCOCc1cc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)ccc1OC ZINC000862433617 1329486795 /nfs/dbraw/zinc/48/67/95/1329486795.db2.gz ZQCNRNKSMKROHJ-UHFFFAOYSA-N -1 3 345.443 3.061 20 10 EGCDHM Cn1ncc2ccc(-c3noc(-c4ccc([O-])c(O)c4Cl)n3)cc21 ZINC001216951271 1373370374 /nfs/dbraw/zinc/37/03/74/1373370374.db2.gz BXZCWFQUPZULRW-UHFFFAOYSA-N -1 3 342.742 3.355 20 10 EGCDHM COc1cnc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c(C)c1 ZINC001216953060 1373370457 /nfs/dbraw/zinc/37/04/57/1373370457.db2.gz AKVGUBTYJVDUOR-UHFFFAOYSA-N -1 3 333.731 3.180 20 10 EGCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC001233026869 1376556219 /nfs/dbraw/zinc/55/62/19/1376556219.db2.gz HDYHCUQFYCBTQE-BMIGLBTASA-N -1 3 344.224 3.295 20 10 EGCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@H]2OCCC[C@H]2C1 ZINC001233026873 1376558092 /nfs/dbraw/zinc/55/80/92/1376558092.db2.gz HDYHCUQFYCBTQE-ZUZCIYMTSA-N -1 3 344.224 3.295 20 10 EGCDHM CCOc1ccc(N2CCN(Cc3c([O-])ccc(F)c3F)CC2)cc1 ZINC001233336223 1376618996 /nfs/dbraw/zinc/61/89/96/1376618996.db2.gz DAUUETLEVMFLJP-UHFFFAOYSA-N -1 3 348.393 3.391 20 10 EGCDHM CC(=O)N1CCCCC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233334496 1376619336 /nfs/dbraw/zinc/61/93/36/1376619336.db2.gz JNWNUNFNDWAOFY-UHFFFAOYSA-N -1 3 338.398 3.037 20 10 EGCDHM Cc1cccc(O[C@H]2CCCN(Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233336505 1376620807 /nfs/dbraw/zinc/62/08/07/1376620807.db2.gz OBPBOPQEXDZXRP-ZDUSSCGKSA-N -1 3 334.366 3.417 20 10 EGCDHM CN(Cc1nnc2ccccn21)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452052 1376649079 /nfs/dbraw/zinc/64/90/79/1376649079.db2.gz ITANCKCLEPSFMR-UHFFFAOYSA-N -1 3 336.317 3.086 20 10 EGCDHM CCOC(=O)Cc1ccc2c(c1)CN(Cc1c([O-])cccc1F)CC2 ZINC001137833221 1377625739 /nfs/dbraw/zinc/62/57/39/1377625739.db2.gz XNTUFHPGDCALPA-UHFFFAOYSA-N -1 3 343.398 3.195 20 10 EGCDHM [O-]c1cccc(F)c1CN1CCN(C2(c3ccccc3)CC2)CC1 ZINC001137839988 1377628314 /nfs/dbraw/zinc/62/83/14/1377628314.db2.gz OOVQLYJSOKHYQF-UHFFFAOYSA-N -1 3 326.415 3.338 20 10 EGCDHM O=C(C1CCCCC1)N1CCCN(Cc2cccc(F)c2[O-])CC1 ZINC001138129456 1377682449 /nfs/dbraw/zinc/68/24/49/1377682449.db2.gz DRWMHRZXBDCPSF-UHFFFAOYSA-N -1 3 334.435 3.146 20 10 EGCDHM [O-]c1cccc(Br)c1CN(CCO)Cc1cccs1 ZINC001140101355 1378007392 /nfs/dbraw/zinc/00/73/92/1378007392.db2.gz PJDAIVSBKPRBHE-UHFFFAOYSA-N -1 3 342.258 3.211 20 10 EGCDHM Cc1cnc2c(c1)CN(Cc1c([O-])cccc1Br)CC2 ZINC001140102706 1378007613 /nfs/dbraw/zinc/00/76/13/1378007613.db2.gz XCESHIBCONTXKS-UHFFFAOYSA-N -1 3 333.229 3.416 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCc2cc(O)ccc2C1 ZINC001140100314 1378007750 /nfs/dbraw/zinc/00/77/50/1378007750.db2.gz KQCHARCSBSMBKJ-UHFFFAOYSA-N -1 3 334.213 3.419 20 10 EGCDHM Cc1ccccc1C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140341946 1378049958 /nfs/dbraw/zinc/04/99/58/1378049958.db2.gz MADFFBWCOOCFNE-UHFFFAOYSA-N -1 3 344.842 3.312 20 10 EGCDHM O=C(c1ccccc1F)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140465153 1378068051 /nfs/dbraw/zinc/06/80/51/1378068051.db2.gz JQRBWCVNSDQPJW-UHFFFAOYSA-N -1 3 348.805 3.143 20 10 EGCDHM CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccc(N(C)C)cc1 ZINC001140496389 1378073427 /nfs/dbraw/zinc/07/34/27/1378073427.db2.gz DDVZAGKSFGBFAI-UHFFFAOYSA-N -1 3 329.444 3.418 20 10 EGCDHM Cc1ccc(C2(O)CCN(Cc3c([O-])cc(F)cc3F)CC2)cc1 ZINC001140579687 1378089674 /nfs/dbraw/zinc/08/96/74/1378089674.db2.gz CSUYWUZTCJKGGH-UHFFFAOYSA-N -1 3 333.378 3.462 20 10 EGCDHM C[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367855 1378312179 /nfs/dbraw/zinc/31/21/79/1378312179.db2.gz UDCDTCIDXUBPQL-BDAKNGLRSA-N -1 3 334.641 3.011 20 10 EGCDHM [O-]c1cc(F)c(F)cc1CN1CCN(c2nccc3occc32)CC1 ZINC001142524989 1378453142 /nfs/dbraw/zinc/45/31/42/1378453142.db2.gz SFDTUPJDBRTMME-UHFFFAOYSA-N -1 3 345.349 3.134 20 10 EGCDHM O=C(Nc1cccc(F)c1N1CCCCC1)c1cccc(O)c1[O-] ZINC001148219087 1379134830 /nfs/dbraw/zinc/13/48/30/1379134830.db2.gz RMFLQEHOAVAHSR-UHFFFAOYSA-N -1 3 330.359 3.480 20 10 EGCDHM COc1ccc2cccc(CCNC(=O)c3cccc(O)c3[O-])c2c1 ZINC001148224293 1379135388 /nfs/dbraw/zinc/13/53/88/1379135388.db2.gz GRTRYHGOBZKZDL-UHFFFAOYSA-N -1 3 337.375 3.232 20 10 EGCDHM Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cccc(O)c1[O-] ZINC001148225298 1379135744 /nfs/dbraw/zinc/13/57/44/1379135744.db2.gz KGEXNINJCPJTKP-GOSISDBHSA-N -1 3 341.407 3.474 20 10 EGCDHM CCOc1nccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157727344 1381016387 /nfs/dbraw/zinc/01/63/87/1381016387.db2.gz KBFJAOVBHWNJKZ-UHFFFAOYSA-N -1 3 330.775 3.395 20 10 EGCDHM C[C@@]1(CO)CCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001353593284 1392046049 /nfs/dbraw/zinc/04/60/49/1392046049.db2.gz IKYIWOQCHKSRNW-ZDUSSCGKSA-N -1 3 334.641 3.155 20 10 EGCDHM CCN(CC)c1ccc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC001596288034 983707431 /nfs/dbraw/zinc/70/74/31/983707431.db2.gz FLCUNCVJXRCXBZ-SFHVURJKSA-N -1 3 328.412 3.154 20 10 EGCDHM CN(C)c1ccc(CN(C)Cc2cc(C(=O)[O-])c3n2CCCC3)cc1 ZINC001598519477 992661387 /nfs/dbraw/zinc/66/13/87/992661387.db2.gz SIKZHZKHWQJIOP-UHFFFAOYSA-N -1 3 341.455 3.221 20 10 EGCDHM C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593210940 994256778 /nfs/dbraw/zinc/25/67/78/994256778.db2.gz UHYQUXCLPLDYSO-LRDDRELGSA-N -1 3 331.416 3.052 20 10 EGCDHM CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001593229973 994355160 /nfs/dbraw/zinc/35/51/60/994355160.db2.gz AETQSZZHQIGIQE-WFASDCNBSA-N -1 3 343.427 3.076 20 10 EGCDHM C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245979 994444818 /nfs/dbraw/zinc/44/48/18/994444818.db2.gz FPLPFKJCXGJXHS-FZMZJTMJSA-N -1 3 349.814 3.171 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@H](CC(=O)[O-])Cc2ccccc2)c1[O-] ZINC001599420419 997584560 /nfs/dbraw/zinc/58/45/60/997584560.db2.gz HHYVFHYCIAJFCE-HNNXBMFYSA-N -1 3 349.814 3.230 20 10 EGCDHM CN(Cc1ccccc1[O-])[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528415578 313088279 /nfs/dbraw/zinc/08/82/79/313088279.db2.gz FTUNDUICNBMBCC-MRXNPFEDSA-N -1 3 348.805 3.422 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)CC(C)(C)C2)c1[O-] ZINC000295600693 455854688 /nfs/dbraw/zinc/85/46/88/455854688.db2.gz XGHSYVQFNQDQTP-AWEZNQCLSA-N -1 3 325.836 3.231 20 10 EGCDHM CC[C@@]1(CO)CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000187636755 455932142 /nfs/dbraw/zinc/93/21/42/455932142.db2.gz MYISZZPPAKXEEE-QGZVFWFLSA-N -1 3 325.836 3.233 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCCS1 ZINC000075416675 453891457 /nfs/dbraw/zinc/89/14/57/453891457.db2.gz GZQWOEDUZPJQCR-CYBMUJFWSA-N -1 3 344.274 3.399 20 10 EGCDHM Cc1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1[O-] ZINC000078345653 454237593 /nfs/dbraw/zinc/23/75/93/454237593.db2.gz HTDWJEDIAZUIQW-INIZCTEOSA-N -1 3 341.407 3.228 20 10 EGCDHM CC(C)NC(=O)CN(Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000176676608 454770530 /nfs/dbraw/zinc/77/05/30/454770530.db2.gz QCOIWGLHPHEMEX-MRXNPFEDSA-N -1 3 326.440 3.480 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3ccccc3)C2)c1[O-] ZINC000177248181 454842417 /nfs/dbraw/zinc/84/24/17/454842417.db2.gz UWFNDCSUDFFPHJ-GOSISDBHSA-N -1 3 329.371 3.307 20 10 EGCDHM Cn1ccnc1C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191464013 455487465 /nfs/dbraw/zinc/48/74/65/455487465.db2.gz BXLHZAJGLLRRCW-LBPRGKRZSA-N -1 3 337.826 3.373 20 10 EGCDHM COc1cc(OC)c(OC)cc1CNCc1c([O-])cccc1Cl ZINC000113314334 454922047 /nfs/dbraw/zinc/92/20/47/454922047.db2.gz GZYJNZJTDZIKGE-UHFFFAOYSA-N -1 3 337.803 3.361 20 10 EGCDHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000179547035 455057308 /nfs/dbraw/zinc/05/73/08/455057308.db2.gz TZFIMFAXWFIZDB-JXMROGBWSA-N -1 3 338.407 3.189 20 10 EGCDHM CC(C)n1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000179570628 455059788 /nfs/dbraw/zinc/05/97/88/455059788.db2.gz OEQLHCASNRMUCN-GOSISDBHSA-N -1 3 329.444 3.351 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCCCO1 ZINC000159814105 455405875 /nfs/dbraw/zinc/40/58/75/455405875.db2.gz QUHWHQSRECEULY-AWEZNQCLSA-N -1 3 342.233 3.072 20 10 EGCDHM C[C@@H](N[C@@H](C)c1ccc(Br)cc1[O-])C(=O)NC(C)(C)C ZINC000185218137 455523641 /nfs/dbraw/zinc/52/36/41/455523641.db2.gz SFXWQTGOLXDEGN-VHSXEESVSA-N -1 3 343.265 3.109 20 10 EGCDHM Cc1ccccc1[C@H]1CN(C(=O)c2cccc(O)c2[O-])[C@H](C)CO1 ZINC000185741385 455611202 /nfs/dbraw/zinc/61/12/02/455611202.db2.gz YZAATUZJOPJYGV-CXAGYDPISA-N -1 3 327.380 3.008 20 10 EGCDHM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1ccc(C)c(O)c1[O-])C2 ZINC000292529169 455688620 /nfs/dbraw/zinc/68/86/20/455688620.db2.gz RCAUFIJKGHBPCU-UHFFFAOYSA-N -1 3 339.391 3.102 20 10 EGCDHM COc1c([O-])c(CNC(C)(C)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000278102783 455758594 /nfs/dbraw/zinc/75/85/94/455758594.db2.gz AFLJEJSZKZYRTR-UHFFFAOYSA-N -1 3 334.347 3.473 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)C(C)(C)C ZINC000269145291 455797916 /nfs/dbraw/zinc/79/79/16/455797916.db2.gz JRNNFDUJCMNAFS-UHFFFAOYSA-N -1 3 342.233 3.118 20 10 EGCDHM COc1c([O-])c(CN[C@H](c2ncccc2C)C(C)C)ccc1[N+](=O)[O-] ZINC000278309954 455814033 /nfs/dbraw/zinc/81/40/33/455814033.db2.gz DWRHVNXSIIEAIW-HNNXBMFYSA-N -1 3 345.399 3.499 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000285305954 455821240 /nfs/dbraw/zinc/82/12/40/455821240.db2.gz WDWBSIJVWCTYPP-UKRRQHHQSA-N -1 3 326.234 3.298 20 10 EGCDHM COc1c([O-])c(CN[C@@H](C)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000278538356 455838432 /nfs/dbraw/zinc/83/84/32/455838432.db2.gz WVQBGVABIQEBMA-VIFPVBQESA-N -1 3 338.310 3.438 20 10 EGCDHM CC[C@H](NCc1cccnc1OCCOC)c1ccc(F)cc1[O-] ZINC000285474437 455852330 /nfs/dbraw/zinc/85/23/30/455852330.db2.gz BBQRNVSLFOUNGI-INIZCTEOSA-N -1 3 334.391 3.192 20 10 EGCDHM C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000187713089 455942996 /nfs/dbraw/zinc/94/29/96/455942996.db2.gz VVXDRHBJODCJAB-WBMJQRKESA-N -1 3 348.393 3.021 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC([C@H]3CCCO3)CC2)c1[O-] ZINC000188249529 456030465 /nfs/dbraw/zinc/03/04/65/456030465.db2.gz HWWNYBKGDZXLJJ-OAHLLOKOSA-N -1 3 340.807 3.345 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2ccc(F)cc2)CC1 ZINC000280693696 456033179 /nfs/dbraw/zinc/03/31/79/456033179.db2.gz RJXSRKUJWROTBD-UHFFFAOYSA-N -1 3 329.371 3.332 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@H]2COc2ccccc2)c([O-])c1O ZINC000296967472 456077705 /nfs/dbraw/zinc/07/77/05/456077705.db2.gz QFXRVCZGFQYZGC-AWEZNQCLSA-N -1 3 327.380 3.090 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CCc3c2cccc3O)c1 ZINC000273363315 456225883 /nfs/dbraw/zinc/22/58/83/456225883.db2.gz AVODXYDNENQYSR-MEDUHNTESA-N -1 3 327.380 3.223 20 10 EGCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([O-])c1O ZINC000273425085 456230686 /nfs/dbraw/zinc/23/06/86/456230686.db2.gz TYEUCJSEGKVGBW-GDBMZVCRSA-N -1 3 345.370 3.195 20 10 EGCDHM C[C@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(F)cc1[O-] ZINC000273464273 456233843 /nfs/dbraw/zinc/23/38/43/456233843.db2.gz DKTRTRIMPQSKTR-LBPRGKRZSA-N -1 3 328.387 3.274 20 10 EGCDHM CCc1nnc([C@H](C)N[C@@H](C)c2ccc(Br)cc2[O-])[nH]1 ZINC000273490584 456235455 /nfs/dbraw/zinc/23/54/55/456235455.db2.gz OEQJLYSZMQBQLJ-IUCAKERBSA-N -1 3 339.237 3.247 20 10 EGCDHM COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000273610356 456240570 /nfs/dbraw/zinc/24/05/70/456240570.db2.gz VPFCHOFYNZZTKC-JTQLQIEISA-N -1 3 347.327 3.068 20 10 EGCDHM C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(F)c(F)c1[O-] ZINC000276930199 456622835 /nfs/dbraw/zinc/62/28/35/456622835.db2.gz NZTVMWPOJLIFNZ-LLVKDONJSA-N -1 3 334.366 3.223 20 10 EGCDHM O=C([O-])[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccc(O)cc1 ZINC000277278270 456756435 /nfs/dbraw/zinc/75/64/35/456756435.db2.gz LUOAAIGIOWJEOW-LJQANCHMSA-N -1 3 340.423 3.298 20 10 EGCDHM O=C1NCCN(Cc2c([O-])ccc3ccccc32)[C@@H]1c1cccs1 ZINC000371792581 458076540 /nfs/dbraw/zinc/07/65/40/458076540.db2.gz MCZFNVYEFSEEMZ-GOSISDBHSA-N -1 3 338.432 3.280 20 10 EGCDHM Cc1cc(Br)ccc1CNC(=O)c1cc([O-])cs1 ZINC000732292615 575256194 /nfs/dbraw/zinc/25/61/94/575256194.db2.gz OKKNNORZQIZTMJ-UHFFFAOYSA-N -1 3 326.215 3.455 20 10 EGCDHM CN(Cc1ccccc1Br)C(=O)c1cc([O-])cs1 ZINC000732258652 575250149 /nfs/dbraw/zinc/25/01/49/575250149.db2.gz PBSRQFNISHVMPH-UHFFFAOYSA-N -1 3 326.215 3.488 20 10 EGCDHM CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732279575 575253962 /nfs/dbraw/zinc/25/39/62/575253962.db2.gz LWTNSUAIGVUEDB-CYBMUJFWSA-N -1 3 338.473 3.002 20 10 EGCDHM COc1ccc(-c2cc(COC(=O)c3cc([O-])cs3)on2)cc1 ZINC000732354930 575262084 /nfs/dbraw/zinc/26/20/84/575262084.db2.gz WWZHDDHEGBUDKQ-UHFFFAOYSA-N -1 3 331.349 3.474 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@](C)(c3ccccc3)C2)c1[O-] ZINC000121257915 1293362807 /nfs/dbraw/zinc/36/28/07/1293362807.db2.gz VHHBXGHXMMMZIY-HXUWFJFHSA-N -1 3 343.398 3.482 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)c([O-])c1O ZINC000182164468 1295023845 /nfs/dbraw/zinc/02/38/45/1295023845.db2.gz XDTDYJXZMFSGBX-UHFFFAOYSA-N -1 3 342.395 3.105 20 10 EGCDHM Cc1cc(Oc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)n[nH]1 ZINC000187184891 1295373041 /nfs/dbraw/zinc/37/30/41/1295373041.db2.gz MXXNLUVLSQZVMJ-UHFFFAOYSA-N -1 3 325.324 3.174 20 10 EGCDHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)cc1 ZINC000189424563 1295520960 /nfs/dbraw/zinc/52/09/60/1295520960.db2.gz DMPCKFZWWUOIJF-UHFFFAOYSA-N -1 3 348.424 3.104 20 10 EGCDHM CC[C@@H](NCc1nonc1C)c1cc(Br)ccc1[O-] ZINC000872134955 1296759287 /nfs/dbraw/zinc/75/92/87/1296759287.db2.gz AOBPKTKIFBTNKN-LLVKDONJSA-N -1 3 326.194 3.087 20 10 EGCDHM CN1C(=O)c2ccccc2N[C@@H]1c1ccc(Br)cc1[O-] ZINC000877843728 1299606279 /nfs/dbraw/zinc/60/62/79/1299606279.db2.gz AVPQABOCMIFYPX-AWEZNQCLSA-N -1 3 333.185 3.351 20 10 EGCDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(N)cc1[O-] ZINC000752784188 1299793350 /nfs/dbraw/zinc/79/33/50/1299793350.db2.gz OOQIEHFNTWVLIN-UHFFFAOYSA-N -1 3 339.439 3.237 20 10 EGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000753572255 1299977274 /nfs/dbraw/zinc/97/72/74/1299977274.db2.gz SWPRNKXQEVNZAM-GFCCVEGCSA-N -1 3 343.826 3.202 20 10 EGCDHM COc1ccc2c(c1)OCC[C@@H]2N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756614665 1300532304 /nfs/dbraw/zinc/53/23/04/1300532304.db2.gz UMTPKVSKBSWEKN-BZNIZROVSA-N -1 3 344.367 3.483 20 10 EGCDHM Cn1nc(CNCc2cccc(Br)c2[O-])c2ccccc21 ZINC000759189582 1301036944 /nfs/dbraw/zinc/03/69/44/1301036944.db2.gz AJKPXUSQKUJRNX-UHFFFAOYSA-N -1 3 346.228 3.331 20 10 EGCDHM O=C1CCCN1C[C@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000882896799 1302152278 /nfs/dbraw/zinc/15/22/78/1302152278.db2.gz RIHAFCQBHXVNGL-KRWDZBQOSA-N -1 3 346.377 3.124 20 10 EGCDHM CCOC(=O)/C=C\c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000770464745 1303272777 /nfs/dbraw/zinc/27/27/77/1303272777.db2.gz ARHWFHOBPJAPOJ-XFFZJAGNSA-N -1 3 341.363 3.235 20 10 EGCDHM C[C@@H](N[C@H](CCO)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000886801839 1303603588 /nfs/dbraw/zinc/60/35/88/1303603588.db2.gz TXPJTXQPZHYIQP-RDDDGLTNSA-N -1 3 342.155 3.119 20 10 EGCDHM CCc1c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cnn1CC(C)C ZINC000775039477 1303892869 /nfs/dbraw/zinc/89/28/69/1303892869.db2.gz MSUWVFYAXNRHNK-UHFFFAOYSA-N -1 3 348.403 3.336 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000775139642 1303915297 /nfs/dbraw/zinc/91/52/97/1303915297.db2.gz WMMZKHDHFAKAHQ-SDBXPKJASA-N -1 3 341.732 3.320 20 10 EGCDHM O=C(C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCCC1 ZINC000775644839 1304001322 /nfs/dbraw/zinc/00/13/22/1304001322.db2.gz RNPZGLDBFXLFFR-UHFFFAOYSA-N -1 3 340.826 3.019 20 10 EGCDHM CCC[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCN1CCOC ZINC000775737612 1304025390 /nfs/dbraw/zinc/02/53/90/1304025390.db2.gz VWQFMFLTZHTPOH-OAHLLOKOSA-N -1 3 344.858 3.117 20 10 EGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777440463 1304297303 /nfs/dbraw/zinc/29/73/03/1304297303.db2.gz WYSIAJFSYOUWFI-QGZVFWFLSA-N -1 3 339.769 3.417 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)c([O-])c1O ZINC000780908358 1304750382 /nfs/dbraw/zinc/75/03/82/1304750382.db2.gz BSIBJBURXKSMFQ-UHFFFAOYSA-N -1 3 348.786 3.014 20 10 EGCDHM Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1cccc(O)c1[O-] ZINC000790132375 1306265344 /nfs/dbraw/zinc/26/53/44/1306265344.db2.gz GYWQVIYRWGTYOW-UHFFFAOYSA-N -1 3 345.305 3.029 20 10 EGCDHM O=C(Nc1nc(CN2CCCCCC2)cs1)c1cccc(O)c1[O-] ZINC000790509728 1306339881 /nfs/dbraw/zinc/33/98/81/1306339881.db2.gz YQNBFTZQHGETJY-UHFFFAOYSA-N -1 3 347.440 3.183 20 10 EGCDHM CCCCOc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1OC ZINC000790542503 1306348921 /nfs/dbraw/zinc/34/89/21/1306348921.db2.gz MLRCOVIWYLCZOJ-UHFFFAOYSA-N -1 3 345.395 3.215 20 10 EGCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000790575872 1306354361 /nfs/dbraw/zinc/35/43/61/1306354361.db2.gz HHRWTSZPBVCOPA-CQSZACIVSA-N -1 3 337.379 3.369 20 10 EGCDHM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000790600173 1306357677 /nfs/dbraw/zinc/35/76/77/1306357677.db2.gz BIXXFUKDASQOMF-DNVCBOLYSA-N -1 3 341.407 3.338 20 10 EGCDHM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1cccc(O)c1[O-] ZINC000790664630 1306371032 /nfs/dbraw/zinc/37/10/32/1306371032.db2.gz SBAORDZEGUYXBS-UHFFFAOYSA-N -1 3 329.743 3.189 20 10 EGCDHM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cccc(O)c1[O-] ZINC000790704299 1308853568 /nfs/dbraw/zinc/85/35/68/1308853568.db2.gz PJHHLDCEWIKUKD-JTQLQIEISA-N -1 3 339.313 3.478 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000790874400 1308877721 /nfs/dbraw/zinc/87/77/21/1308877721.db2.gz QTKYIYQYZNTPAN-OAHLLOKOSA-N -1 3 329.371 3.474 20 10 EGCDHM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1cc(F)cc(F)c1[O-] ZINC000894686548 1309021789 /nfs/dbraw/zinc/02/17/89/1309021789.db2.gz RHWHTHGSMSLERG-CABCVRRESA-N -1 3 331.366 3.224 20 10 EGCDHM C[C@@H](CN(C)Cc1cc(F)cc(F)c1[O-])NC(=O)OC(C)(C)C ZINC000895414107 1309326340 /nfs/dbraw/zinc/32/63/40/1309326340.db2.gz KIDCFUCDMNSORI-JTQLQIEISA-N -1 3 330.375 3.015 20 10 EGCDHM Cc1c(NCc2c([O-])cccc2Cl)cccc1N1C(=O)CNC1=O ZINC000793350608 1309352069 /nfs/dbraw/zinc/35/20/69/1309352069.db2.gz CFOMFECICRGJID-UHFFFAOYSA-N -1 3 345.786 3.022 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCn2c(cnc2C(F)(F)F)C1 ZINC000896933671 1310091072 /nfs/dbraw/zinc/09/10/72/1310091072.db2.gz AFWPLUSSXFSCGU-UHFFFAOYSA-N -1 3 331.725 3.277 20 10 EGCDHM CC[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccc(F)cc1[O-] ZINC000796855510 1310101343 /nfs/dbraw/zinc/10/13/43/1310101343.db2.gz JMSUROFMYMRVPW-MRXNPFEDSA-N -1 3 331.391 3.326 20 10 EGCDHM CC(=O)NCC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000809778939 1317898331 /nfs/dbraw/zinc/89/83/31/1317898331.db2.gz YMISSFIPBOHHTA-LBPRGKRZSA-N -1 3 345.270 3.437 20 10 EGCDHM CCc1nnc(CN[C@H](C)c2cc(Br)ccc2[O-])s1 ZINC000810260336 1317989286 /nfs/dbraw/zinc/98/92/86/1317989286.db2.gz ISOFIUFPKTWKAH-MRVPVSSYSA-N -1 3 342.262 3.419 20 10 EGCDHM COc1c([O-])c(CNc2ccc3c(C)nn(C)c3c2)ccc1[N+](=O)[O-] ZINC000812773671 1318452526 /nfs/dbraw/zinc/45/25/26/1318452526.db2.gz LUUSZGDMUSWBCL-UHFFFAOYSA-N -1 3 342.355 3.116 20 10 EGCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816483966 1319163689 /nfs/dbraw/zinc/16/36/89/1319163689.db2.gz LVEGZOVLHPDCMG-LLVKDONJSA-N -1 3 344.814 3.284 20 10 EGCDHM CN(Cc1ncc(Cl)n1C)Cc1ccc(Br)cc1[O-] ZINC000825446893 1320339126 /nfs/dbraw/zinc/33/91/26/1320339126.db2.gz OFPOPPFLHREARX-UHFFFAOYSA-N -1 3 344.640 3.174 20 10 EGCDHM Cc1cccc([C@@H]2C(=O)NCCN2Cc2cc(Cl)ccc2[O-])c1 ZINC000848951116 1322051059 /nfs/dbraw/zinc/05/10/59/1322051059.db2.gz OGYUKZDBZQRARS-QGZVFWFLSA-N -1 3 330.815 3.027 20 10 EGCDHM COC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(OC)c1 ZINC000850515449 1322260088 /nfs/dbraw/zinc/26/00/88/1322260088.db2.gz XZCJZPUNIRLDJF-SJCJKPOMSA-N -1 3 346.383 3.347 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2cccc3c2OCC3)c1[O-] ZINC000922943395 1322654703 /nfs/dbraw/zinc/65/47/03/1322654703.db2.gz DQIZHBIMNOKEHG-UHFFFAOYSA-N -1 3 334.759 3.179 20 10 EGCDHM CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1cccc(O)c1[O-] ZINC000855847124 1325421837 /nfs/dbraw/zinc/42/18/37/1325421837.db2.gz QTUJSZUIRFKGLV-MRXNPFEDSA-N -1 3 345.370 3.229 20 10 EGCDHM COCCN(Cc1ccco1)Cc1c([O-])cccc1Br ZINC000862225095 1329467771 /nfs/dbraw/zinc/46/77/71/1329467771.db2.gz XGIIXSSLZIDCCX-UHFFFAOYSA-N -1 3 340.217 3.396 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCOC[C@H]1c1ccco1 ZINC000862243897 1329470219 /nfs/dbraw/zinc/47/02/19/1329470219.db2.gz SSKYBSQCJAEHMS-ZDUSSCGKSA-N -1 3 338.201 3.321 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCOC[C@@H]1C1CCC1 ZINC000862400287 1329483055 /nfs/dbraw/zinc/48/30/55/1329483055.db2.gz SFSNUHFGJXPCSE-CQSZACIVSA-N -1 3 326.234 3.156 20 10 EGCDHM CC(C)N1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000935994245 1330102741 /nfs/dbraw/zinc/10/27/41/1330102741.db2.gz XJIXLHOEQGCOLN-CYBMUJFWSA-N -1 3 331.243 3.188 20 10 EGCDHM CC(C)N1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000935994246 1330102869 /nfs/dbraw/zinc/10/28/69/1330102869.db2.gz XJIXLHOEQGCOLN-ZDUSSCGKSA-N -1 3 331.243 3.188 20 10 EGCDHM CC[C@H](NCc1c(Br)cnn1C)c1ccc(F)cc1[O-] ZINC000866431880 1330111175 /nfs/dbraw/zinc/11/11/75/1330111175.db2.gz FKCRWLDPABGBHM-LBPRGKRZSA-N -1 3 342.212 3.268 20 10 EGCDHM COC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203573453 1370175230 /nfs/dbraw/zinc/17/52/30/1370175230.db2.gz BBKVTBUXYZZVGN-NXEZZACHSA-N -1 3 332.227 3.473 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001203665859 1370208093 /nfs/dbraw/zinc/20/80/93/1370208093.db2.gz YJCNICAJPJOVRM-HNNXBMFYSA-N -1 3 330.806 3.351 20 10 EGCDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN1Cc1cc(Cl)ccc1[O-] ZINC001203664804 1370208387 /nfs/dbraw/zinc/20/83/87/1370208387.db2.gz WQXKAANNSCPFEG-CQSZACIVSA-N -1 3 326.824 3.444 20 10 EGCDHM Cc1cc2ccccc2nc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215328509 1373198680 /nfs/dbraw/zinc/19/86/80/1373198680.db2.gz INZCHFOYVQTJLD-UHFFFAOYSA-N -1 3 335.319 3.377 20 10 EGCDHM CCOC[C@H](C)Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229543172 1375853405 /nfs/dbraw/zinc/85/34/05/1375853405.db2.gz WKVVPUQXEWSZBV-LBPRGKRZSA-N -1 3 340.375 3.280 20 10 EGCDHM COc1cccc(C2CC[NH+](Cc3cc(C(=O)[O-])ccc3[O-])CC2)c1 ZINC001231565839 1376266602 /nfs/dbraw/zinc/26/66/02/1376266602.db2.gz DIGQYFKQRQEQBE-UHFFFAOYSA-N -1 3 341.407 3.479 20 10 EGCDHM CCOC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2cnn(C)c21 ZINC001231867769 1376331661 /nfs/dbraw/zinc/33/16/61/1376331661.db2.gz PMVDPWAIBJTIGB-HNNXBMFYSA-N -1 3 349.862 3.223 20 10 EGCDHM [O-]c1ccc(F)c(F)c1CN1CC2(CCN2Cc2ccccc2)C1 ZINC001233335141 1376619423 /nfs/dbraw/zinc/61/94/23/1376619423.db2.gz IVESCBHFPZKPRS-UHFFFAOYSA-N -1 3 330.378 3.131 20 10 EGCDHM [O-]c1c(CN2CCN(c3ccccn3)CC2)cccc1C(F)(F)F ZINC001233415817 1376641034 /nfs/dbraw/zinc/64/10/34/1376641034.db2.gz JDZRNGHBRVKKGF-UHFFFAOYSA-N -1 3 337.345 3.128 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2F)CC1(C)C ZINC001137837877 1377626862 /nfs/dbraw/zinc/62/68/62/1377626862.db2.gz XZWUPCXOJNDASN-UHFFFAOYSA-N -1 3 338.423 3.363 20 10 EGCDHM COc1ccccc1CN(C)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139128075 1377835189 /nfs/dbraw/zinc/83/51/89/1377835189.db2.gz SICODWWJBVEXOG-UHFFFAOYSA-N -1 3 339.391 3.448 20 10 EGCDHM [O-]c1c(F)ccc(F)c1CN1CCC(O)(Cc2ccccc2)CC1 ZINC001139685792 1377933663 /nfs/dbraw/zinc/93/36/63/1377933663.db2.gz XNTNNQIAVVKDKO-UHFFFAOYSA-N -1 3 333.378 3.240 20 10 EGCDHM CCOC(=O)[C@@H]1CCCCN1Cc1c([O-])cccc1Br ZINC001140101247 1378007646 /nfs/dbraw/zinc/00/76/46/1378007646.db2.gz NCGIOOKSTHVTOS-ZDUSSCGKSA-N -1 3 342.233 3.072 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583319 1378090471 /nfs/dbraw/zinc/09/04/71/1378090471.db2.gz DXVBULABGCNWMJ-NSHDSACASA-N -1 3 342.386 3.017 20 10 EGCDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001142527217 1378453573 /nfs/dbraw/zinc/45/35/73/1378453573.db2.gz OPOZTYNCLDVJBR-YGRLFVJLSA-N -1 3 342.386 3.015 20 10 EGCDHM O=C(Nc1ccccc1-c1nccs1)c1cc(O)c([O-])c(O)c1 ZINC001148586116 1379218353 /nfs/dbraw/zinc/21/83/53/1379218353.db2.gz JPJZRUYLRQIPLG-UHFFFAOYSA-N -1 3 328.349 3.179 20 10 EGCDHM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cc(O)c([O-])c(O)c1 ZINC001148590759 1379219880 /nfs/dbraw/zinc/21/98/80/1379219880.db2.gz ORYSVMLNTVBEPY-GGNLRSJOSA-N -1 3 339.391 3.116 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCOC[C@@H]1C1CCC1 ZINC001328762549 1388847065 /nfs/dbraw/zinc/84/70/65/1388847065.db2.gz NMGDQNDILYRCFX-CQSZACIVSA-N -1 3 326.234 3.156 20 10 EGCDHM C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593210942 994257579 /nfs/dbraw/zinc/25/75/79/994257579.db2.gz UHYQUXCLPLDYSO-MLGOLLRUSA-N -1 3 331.416 3.052 20 10 EGCDHM C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220059 994306123 /nfs/dbraw/zinc/30/61/23/994306123.db2.gz QAXOGQWGMRDDHT-BOFPYLFWSA-N -1 3 340.423 3.186 20 10 EGCDHM CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001593229972 994355006 /nfs/dbraw/zinc/35/50/06/994355006.db2.gz AETQSZZHQIGIQE-SWLSCSKDSA-N -1 3 343.427 3.076 20 10 EGCDHM Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c([O-])c1 ZINC000120829443 454353784 /nfs/dbraw/zinc/35/37/84/454353784.db2.gz ODPNQZAAZVAWFJ-MRXNPFEDSA-N -1 3 341.407 3.228 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000092070317 454514789 /nfs/dbraw/zinc/51/47/89/454514789.db2.gz JMWFZIVCGZGOFR-NSHDSACASA-N -1 3 341.242 3.203 20 10 EGCDHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccccc2[O-])c1C ZINC000109772964 454837563 /nfs/dbraw/zinc/83/75/63/454837563.db2.gz GTVFXYFOMLKVRC-ZDUSSCGKSA-N -1 3 328.412 3.243 20 10 EGCDHM COc1ncccc1CN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000184985394 455481904 /nfs/dbraw/zinc/48/19/04/455481904.db2.gz ZVFKRUIQCOJBOI-JTQLQIEISA-N -1 3 337.217 3.409 20 10 EGCDHM O=C1CCCN1c1cccc(CNCc2c([O-])cccc2Cl)c1 ZINC000113321744 454923127 /nfs/dbraw/zinc/92/31/27/454923127.db2.gz UEUVQNNGDGFIAR-UHFFFAOYSA-N -1 3 330.815 3.462 20 10 EGCDHM O=C(c1cccc(F)c1)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179922546 455099671 /nfs/dbraw/zinc/09/96/71/455099671.db2.gz JQIBIONBORQPPF-UHFFFAOYSA-N -1 3 346.377 3.019 20 10 EGCDHM CCN(Cc1cnns1)Cc1cc(Br)ccc1[O-] ZINC000295103862 455838359 /nfs/dbraw/zinc/83/83/59/455838359.db2.gz ULIHXVSQLYBSTE-UHFFFAOYSA-N -1 3 328.235 3.028 20 10 EGCDHM CCOCc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278570067 455840689 /nfs/dbraw/zinc/84/06/89/455840689.db2.gz CPJXIKGDDCWEEE-UHFFFAOYSA-N -1 3 332.356 3.458 20 10 EGCDHM Cc1ccc(C(=O)Nc2nc(C3CCOCC3)cs2)c([O-])c1O ZINC000286225419 456003983 /nfs/dbraw/zinc/00/39/83/456003983.db2.gz CIRVRWMXJTXPOV-UHFFFAOYSA-N -1 3 334.397 3.009 20 10 EGCDHM C[C@@H](O)c1ncc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000289084195 456114775 /nfs/dbraw/zinc/11/47/75/456114775.db2.gz KTELLVXIWMYISC-UKRRQHHQSA-N -1 3 348.468 3.083 20 10 EGCDHM [O-]c1ccc(F)cc1CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000289712011 456138431 /nfs/dbraw/zinc/13/84/31/456138431.db2.gz GSQQNUKLIDLRAN-GOEBONIOSA-N -1 3 347.390 3.493 20 10 EGCDHM COCCOc1ncccc1CN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000273304888 456222889 /nfs/dbraw/zinc/22/28/89/456222889.db2.gz CJXMCWCIZMDBEZ-GFCCVEGCSA-N -1 3 336.819 3.317 20 10 EGCDHM COCCOc1ccccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273428349 456230043 /nfs/dbraw/zinc/23/00/43/456230043.db2.gz UVSYKDCZEAOZAY-ZDUSSCGKSA-N -1 3 346.383 3.176 20 10 EGCDHM COCc1cc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])ccc1F ZINC000273586053 456238441 /nfs/dbraw/zinc/23/84/41/456238441.db2.gz NTWYCGCKGMUTCV-LBPRGKRZSA-N -1 3 347.386 3.315 20 10 EGCDHM C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274752138 456264570 /nfs/dbraw/zinc/26/45/70/456264570.db2.gz HSXVQJYMXWGEML-GFCCVEGCSA-N -1 3 330.384 3.379 20 10 EGCDHM [O-]c1cccc(Cl)c1CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000274934272 456268068 /nfs/dbraw/zinc/26/80/68/456268068.db2.gz PAFMJULYJOZMNC-UHFFFAOYSA-N -1 3 346.862 3.353 20 10 EGCDHM C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(F)c(F)c1[O-] ZINC000276930204 456623380 /nfs/dbraw/zinc/62/33/80/456623380.db2.gz NZTVMWPOJLIFNZ-NSHDSACASA-N -1 3 334.366 3.223 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3ccnn3C)C2)c1[O-] ZINC000370207582 457585988 /nfs/dbraw/zinc/58/59/88/457585988.db2.gz VYMLFXKFDVQGOP-ZDUSSCGKSA-N -1 3 347.846 3.361 20 10 EGCDHM COc1c([O-])c(CNc2cccc(-c3cc[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000365803955 457777145 /nfs/dbraw/zinc/77/71/45/457777145.db2.gz CGEUYFJJYIGJQD-UHFFFAOYSA-N -1 3 340.339 3.311 20 10 EGCDHM Cn1ccnc1[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000368133372 458013813 /nfs/dbraw/zinc/01/38/13/458013813.db2.gz IVWKTEAXLRORJC-SNVBAGLBSA-N -1 3 326.227 3.422 20 10 EGCDHM Cc1cc(Br)cc(CN2CCC[C@H]2c2ncon2)c1[O-] ZINC000362045203 458023238 /nfs/dbraw/zinc/02/32/38/458023238.db2.gz KXPRUVXTDMAYBB-LBPRGKRZSA-N -1 3 338.205 3.183 20 10 EGCDHM CN(Cc1cn2cc(Br)ccc2n1)Cc1ccccc1[O-] ZINC000731843802 575211849 /nfs/dbraw/zinc/21/18/49/575211849.db2.gz XDTFBRYDEZTMMU-UHFFFAOYSA-N -1 3 346.228 3.434 20 10 EGCDHM CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc([O-])cs1 ZINC000732267935 575250754 /nfs/dbraw/zinc/25/07/54/575250754.db2.gz CLZHSYRYILUOQX-UHFFFAOYSA-N -1 3 332.425 3.253 20 10 EGCDHM O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cc([O-])cs1 ZINC000732278874 575253944 /nfs/dbraw/zinc/25/39/44/575253944.db2.gz GHYCCRHAPQGNJK-NSHDSACASA-N -1 3 336.844 3.363 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000732284290 575255027 /nfs/dbraw/zinc/25/50/27/575255027.db2.gz OLLIVKMMNHFOLS-ZDUSSCGKSA-N -1 3 341.791 3.460 20 10 EGCDHM O=C(COC(=O)c1cc([O-])cs1)c1ccc(Br)cc1 ZINC000732354517 575261800 /nfs/dbraw/zinc/26/18/00/575261800.db2.gz ORHPIFCTNVMBQS-UHFFFAOYSA-N -1 3 341.182 3.256 20 10 EGCDHM COc1ccc2ccc([O-])c(CN3CCO[C@H](C(F)(F)F)C3)c2c1 ZINC000739876123 576513092 /nfs/dbraw/zinc/51/30/92/576513092.db2.gz RTLHQGNWWJCFLV-INIZCTEOSA-N -1 3 341.329 3.317 20 10 EGCDHM COC[C@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000742154362 576752291 /nfs/dbraw/zinc/75/22/91/576752291.db2.gz IHRKLYGNYPSBGZ-CQSZACIVSA-N -1 3 327.380 3.139 20 10 EGCDHM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc([O-])cs1 ZINC000743704302 576814958 /nfs/dbraw/zinc/81/49/58/576814958.db2.gz NNUQDVIHIPDCDE-UHFFFAOYSA-N -1 3 332.425 3.171 20 10 EGCDHM Cc1cc(O)c(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1C ZINC000826272122 609199318 /nfs/dbraw/zinc/19/93/18/609199318.db2.gz VISFPBGZTGHWKF-UHFFFAOYSA-N -1 3 329.791 3.455 20 10 EGCDHM Cc1cc(O)c(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1C ZINC000826272122 609199319 /nfs/dbraw/zinc/19/93/19/609199319.db2.gz VISFPBGZTGHWKF-UHFFFAOYSA-N -1 3 329.791 3.455 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2nc3ccccc3n2C)c1[O-] ZINC000083243014 1292681545 /nfs/dbraw/zinc/68/15/45/1292681545.db2.gz MKBCRQMIBNYWRJ-UHFFFAOYSA-N -1 3 341.386 3.253 20 10 EGCDHM COc1c(C)cnc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])c1C ZINC000831042792 1292800638 /nfs/dbraw/zinc/80/06/38/1292800638.db2.gz ICPYSSPTTLJKKQ-UHFFFAOYSA-N -1 3 346.402 3.386 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccccc3F)CC2)c1[O-] ZINC000097464658 1292960870 /nfs/dbraw/zinc/96/08/70/1292960870.db2.gz UPUNNMSMOHBSDY-UHFFFAOYSA-N -1 3 346.377 3.195 20 10 EGCDHM COc1ccc(C[C@H](C)CN(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000193149711 1295836983 /nfs/dbraw/zinc/83/69/83/1295836983.db2.gz FOMZFRXZBALUSA-ZDUSSCGKSA-N -1 3 329.396 3.057 20 10 EGCDHM COC[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715738272 1298287129 /nfs/dbraw/zinc/28/71/29/1298287129.db2.gz OEILNICPGAAISI-SNVBAGLBSA-N -1 3 332.213 3.152 20 10 EGCDHM Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(O)cc(Br)c1[O-])N2 ZINC000877860967 1299613560 /nfs/dbraw/zinc/61/35/60/1299613560.db2.gz DKRWGZSTPJGBBX-AWEZNQCLSA-N -1 3 349.184 3.023 20 10 EGCDHM COC(=O)[C@]1(F)CCN(Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000751934843 1299656959 /nfs/dbraw/zinc/65/69/59/1299656959.db2.gz AQBWYMBLZNOYJF-IBGZPJMESA-N -1 3 343.354 3.379 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc3c(c2)N(C)CCO3)c1 ZINC000757608773 1300692799 /nfs/dbraw/zinc/69/27/99/1300692799.db2.gz GRZOJNOJEAJZMT-GFCCVEGCSA-N -1 3 342.395 3.181 20 10 EGCDHM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000758168520 1300797670 /nfs/dbraw/zinc/79/76/70/1300797670.db2.gz BGPUSERMIRVRFU-UHFFFAOYSA-N -1 3 332.356 3.189 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc3c(c2)C[C@H](OC)C3)c1 ZINC000760882035 1301357773 /nfs/dbraw/zinc/35/77/73/1301357773.db2.gz IOCUJKJYNBPJOP-SJKOYZFVSA-N -1 3 341.407 3.466 20 10 EGCDHM Cc1nc2cc(NCc3cc(F)cc(F)c3[O-])ccc2n1[C@@H](C)CO ZINC000883142577 1302269079 /nfs/dbraw/zinc/26/90/79/1302269079.db2.gz NGFAXKNQVLBHLP-JTQLQIEISA-N -1 3 347.365 3.494 20 10 EGCDHM COc1c([O-])c(CNc2ccc3nc(C)oc3c2)ccc1[N+](=O)[O-] ZINC000775037986 1303893104 /nfs/dbraw/zinc/89/31/04/1303893104.db2.gz RJEBYLBGLKZYOL-UHFFFAOYSA-N -1 3 329.312 3.371 20 10 EGCDHM COc1c([O-])c(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775055201 1303896202 /nfs/dbraw/zinc/89/62/02/1303896202.db2.gz QWYSFPJXBGSRBD-GXSJLCMTSA-N -1 3 348.321 3.472 20 10 EGCDHM COc1ccc2c(c1)CCCN2Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775056631 1303897413 /nfs/dbraw/zinc/89/74/13/1303897413.db2.gz KCKNLRXNKZFHBQ-UHFFFAOYSA-N -1 3 344.367 3.270 20 10 EGCDHM CC(C)CNC(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775647822 1304004169 /nfs/dbraw/zinc/00/41/69/1304004169.db2.gz BICKPAQRSVTLML-UHFFFAOYSA-N -1 3 342.842 3.169 20 10 EGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000775666486 1304009815 /nfs/dbraw/zinc/00/98/15/1304009815.db2.gz ZBTHJWUGKKVELT-OAHLLOKOSA-N -1 3 343.826 3.345 20 10 EGCDHM CCN(CC(=O)OCC(C)C)Cc1cc(Br)ccc1[O-] ZINC000776589946 1304176414 /nfs/dbraw/zinc/17/64/14/1304176414.db2.gz XLAISZLRTJCIMD-UHFFFAOYSA-N -1 3 344.249 3.176 20 10 EGCDHM Cc1cnn(-c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2F)c1 ZINC000780945916 1304754500 /nfs/dbraw/zinc/75/45/00/1304754500.db2.gz RZGGYEMVWOKCOL-UHFFFAOYSA-N -1 3 341.342 3.292 20 10 EGCDHM CC1(C)C[C@@H](NC(=O)c2cccc(O)c2[O-])c2ccc(F)cc2O1 ZINC000790891651 1308882741 /nfs/dbraw/zinc/88/27/41/1308882741.db2.gz RBZMLFUYHVGQOQ-CYBMUJFWSA-N -1 3 331.343 3.269 20 10 EGCDHM C[C@@](O)(C1CCN(Cc2cc(F)cc(F)c2[O-])CC1)C(F)(F)F ZINC000894474320 1308910447 /nfs/dbraw/zinc/91/04/47/1308910447.db2.gz RFDCFVSRLXCNNV-CQSZACIVSA-N -1 3 339.304 3.196 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000792168256 1309134497 /nfs/dbraw/zinc/13/44/97/1309134497.db2.gz AACLEKKXQMIGMB-CYBMUJFWSA-N -1 3 341.732 3.320 20 10 EGCDHM C[C@@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895034380 1309164925 /nfs/dbraw/zinc/16/49/25/1309164925.db2.gz QIECMOHKSWPDIW-ZJUUUORDSA-N -1 3 348.668 3.258 20 10 EGCDHM CC[C@@]1(O)CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895444849 1309339623 /nfs/dbraw/zinc/33/96/23/1309339623.db2.gz UTZBFSUWMFFJID-CQSZACIVSA-N -1 3 332.213 3.031 20 10 EGCDHM Cc1noc(C[C@H]2CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000897578782 1310391770 /nfs/dbraw/zinc/39/17/70/1310391770.db2.gz FYDQKGXVDJZULV-LLVKDONJSA-N -1 3 339.798 3.331 20 10 EGCDHM COC[C@H](NCc1c([O-])cccc1Br)c1ccco1 ZINC000858148381 1328696398 /nfs/dbraw/zinc/69/63/98/1328696398.db2.gz VJLCMMZOJKPSEG-LBPRGKRZSA-N -1 3 326.190 3.225 20 10 EGCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000807807850 1317588386 /nfs/dbraw/zinc/58/83/86/1317588386.db2.gz JJQRFZFLLUIINV-SJORKVTESA-N -1 3 341.407 3.416 20 10 EGCDHM C[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815620557 1319030637 /nfs/dbraw/zinc/03/06/37/1319030637.db2.gz URTQJGDGUCYBAO-BDAKNGLRSA-N -1 3 341.337 3.144 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1nncn1-c1ccccc1 ZINC000816535510 1319177624 /nfs/dbraw/zinc/17/76/24/1319177624.db2.gz QQNGTHUXWLYHIG-UHFFFAOYSA-N -1 3 332.766 3.055 20 10 EGCDHM COC(=O)[C@H](C)N(Cc1ccc(Br)cc1[O-])C1CCC1 ZINC000825685681 1320354850 /nfs/dbraw/zinc/35/48/50/1320354850.db2.gz JBNZJENYMOJIIZ-JTQLQIEISA-N -1 3 342.233 3.071 20 10 EGCDHM COc1cc(Cl)cc([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c1[O-] ZINC000840827682 1321158019 /nfs/dbraw/zinc/15/80/19/1321158019.db2.gz CSDHNYJEDYRSCE-AWEZNQCLSA-N -1 3 340.851 3.309 20 10 EGCDHM CCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(F)c1 ZINC000840978496 1321193256 /nfs/dbraw/zinc/19/32/56/1321193256.db2.gz NXQOXBXKWPJEBC-UHFFFAOYSA-N -1 3 336.319 3.459 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](CCO)c2ccccc2F)c1 ZINC000842922308 1321449373 /nfs/dbraw/zinc/44/93/73/1321449373.db2.gz BEZAYCXIYCNMRL-SJCJKPOMSA-N -1 3 347.386 3.092 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](CCO)c2ccccc2F)c1 ZINC000842922312 1321449413 /nfs/dbraw/zinc/44/94/13/1321449413.db2.gz BEZAYCXIYCNMRL-YVEFUNNKSA-N -1 3 347.386 3.092 20 10 EGCDHM C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1ccc2ccccc2c1[O-] ZINC000848556669 1321975258 /nfs/dbraw/zinc/97/52/58/1321975258.db2.gz CIFLLFYQZVLQIG-MLGOLLRUSA-N -1 3 338.411 3.366 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)CC2(CCC2)O1 ZINC000862399850 1329482887 /nfs/dbraw/zinc/48/28/87/1329482887.db2.gz FFHKUFHWLNTUBQ-NSHDSACASA-N -1 3 326.234 3.298 20 10 EGCDHM CCCOc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1OC ZINC000863843264 1329584812 /nfs/dbraw/zinc/58/48/12/1329584812.db2.gz QXBJNURMQQWJJS-UHFFFAOYSA-N -1 3 331.368 3.456 20 10 EGCDHM CCN(CCn1ccnc1)Cc1c([O-])cc(Br)cc1F ZINC001233030166 1376556875 /nfs/dbraw/zinc/55/68/75/1376556875.db2.gz PLQARNLCIKDBII-UHFFFAOYSA-N -1 3 342.212 3.012 20 10 EGCDHM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185227371 1387656729 /nfs/dbraw/zinc/65/67/29/1387656729.db2.gz LDBJMNCDCCQABB-UHFFFAOYSA-N -1 3 344.392 3.465 20 10 EGCDHM COC(=O)[C@]1(C)CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203580621 1370178072 /nfs/dbraw/zinc/17/80/72/1370178072.db2.gz UFZCCKMKRYUFLF-OAHLLOKOSA-N -1 3 332.227 3.474 20 10 EGCDHM CCn1ncc2c1[C@H](COC)CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203656171 1370203819 /nfs/dbraw/zinc/20/38/19/1370203819.db2.gz KNNRPKILPANHFL-AWEZNQCLSA-N -1 3 335.835 3.008 20 10 EGCDHM CC(C)(C)OC(=O)[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001207252500 1371341819 /nfs/dbraw/zinc/34/18/19/1371341819.db2.gz KWGFXQCDBIVOMA-LBPRGKRZSA-N -1 3 327.371 3.224 20 10 EGCDHM Cc1cc(O[C@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)ncn1 ZINC001231913706 1376349001 /nfs/dbraw/zinc/34/90/01/1376349001.db2.gz QDOJBZFJIAIPBF-AWEZNQCLSA-N -1 3 333.819 3.187 20 10 EGCDHM COc1cc([O-])c(CN2CCN(c3cc(C)ccn3)CC2)cc1Cl ZINC001232269714 1376427964 /nfs/dbraw/zinc/42/79/64/1376427964.db2.gz IPZPDRHRHGOYDZ-UHFFFAOYSA-N -1 3 347.846 3.080 20 10 EGCDHM CN(Cc1ccc(-n2ccnc2)cc1)Cc1c([O-])ccc(F)c1F ZINC001233335676 1376618282 /nfs/dbraw/zinc/61/82/82/1376618282.db2.gz GOTDJFREAJHICO-UHFFFAOYSA-N -1 3 329.350 3.488 20 10 EGCDHM [O-]c1cccc(F)c1CN1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001137837307 1377627189 /nfs/dbraw/zinc/62/71/89/1377627189.db2.gz ANHMHPPDKHPAAX-SECBINFHSA-N -1 3 345.296 3.313 20 10 EGCDHM COC(=O)c1cccc2c1CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001140464394 1378067683 /nfs/dbraw/zinc/06/76/83/1378067683.db2.gz NYOWDWVSHBIKJM-UHFFFAOYSA-N -1 3 331.799 3.391 20 10 EGCDHM O=C(c1cccs1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140464766 1378068019 /nfs/dbraw/zinc/06/80/19/1378068019.db2.gz BYLDXQJQZYWCCI-UHFFFAOYSA-N -1 3 336.844 3.065 20 10 EGCDHM [O-]c1ccc(F)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001276837853 1378189257 /nfs/dbraw/zinc/18/92/57/1378189257.db2.gz QIFHBYICWMYHSE-OKILXGFUSA-N -1 3 349.837 3.362 20 10 EGCDHM CCN1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)cc(Br)c1[O-] ZINC001141377504 1378314262 /nfs/dbraw/zinc/31/42/62/1378314262.db2.gz QWOVNNTUNPHMML-RYUDHWBXSA-N -1 3 345.668 3.087 20 10 EGCDHM Cc1ccc(C2(O)CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142502073 1378449449 /nfs/dbraw/zinc/44/94/49/1378449449.db2.gz IDEDIBFBHDXVPM-UHFFFAOYSA-N -1 3 333.378 3.462 20 10 EGCDHM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCC[C@@]1(O)C(F)(F)F ZINC001142509185 1378451373 /nfs/dbraw/zinc/45/13/73/1378451373.db2.gz ZTHYWQUIHGKAFZ-XPTSAGLGSA-N -1 3 339.304 3.196 20 10 EGCDHM COc1ccccc1N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508797 1378451566 /nfs/dbraw/zinc/45/15/66/1378451566.db2.gz LTXDRACNKYKPRY-UHFFFAOYSA-N -1 3 334.366 3.001 20 10 EGCDHM Cc1cccc(O[C@H]2CCCN(Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001142531506 1378454502 /nfs/dbraw/zinc/45/45/02/1378454502.db2.gz ZTVZKOWAYBKPIA-AWEZNQCLSA-N -1 3 334.366 3.417 20 10 EGCDHM Cc1cncc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001147404854 1379015596 /nfs/dbraw/zinc/01/55/96/1379015596.db2.gz AWJBCWIZCNQMRR-UHFFFAOYSA-N -1 3 327.771 3.227 20 10 EGCDHM Cc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001147453946 1379024310 /nfs/dbraw/zinc/02/43/10/1379024310.db2.gz RDFCFIMKCQZXCC-UHFFFAOYSA-N -1 3 327.771 3.227 20 10 EGCDHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])c(O)c1 ZINC001148219107 1379134727 /nfs/dbraw/zinc/13/47/27/1379134727.db2.gz TUKFBIHUGGSJAG-UHFFFAOYSA-N -1 3 345.351 3.011 20 10 EGCDHM [O-]c1c(CNc2ccnc3nc[nH]c32)cc(Cl)c2cccnc12 ZINC001168522177 1383929600 /nfs/dbraw/zinc/92/96/00/1383929600.db2.gz ARULZNFPKXLQFH-UHFFFAOYSA-N -1 3 325.759 3.477 20 10 EGCDHM Cc1nc(Cl)nc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168528348 1383930140 /nfs/dbraw/zinc/93/01/40/1383930140.db2.gz UFPBAJXTKOYYIA-UHFFFAOYSA-N -1 3 336.182 3.353 20 10 EGCDHM O=C1Cc2ccnc(NCc3cc(Cl)c4cccnc4c3[O-])c2N1 ZINC001168528217 1383930410 /nfs/dbraw/zinc/93/04/10/1383930410.db2.gz QGNSTPFZEBFLJW-UHFFFAOYSA-N -1 3 340.770 3.096 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)c1[O-] ZINC000854243811 969307198 /nfs/dbraw/zinc/30/71/98/969307198.db2.gz COZXGYSBHHMRKV-NSHDSACASA-N -1 3 329.824 3.281 20 10 EGCDHM CCOCc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)ccc1OC ZINC000841792784 979311505 /nfs/dbraw/zinc/31/15/05/979311505.db2.gz FYFHMWAVOIMIFD-GOSISDBHSA-N -1 3 329.396 3.147 20 10 EGCDHM CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])C12CCCC2 ZINC001596833374 985469098 /nfs/dbraw/zinc/46/90/98/985469098.db2.gz NFAQBTOJFSVGLG-CSMYWGQOSA-N -1 3 333.428 3.479 20 10 EGCDHM COc1ccc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1F ZINC001599556297 998097453 /nfs/dbraw/zinc/09/74/53/998097453.db2.gz AERHNCHSGDRPLO-NSHDSACASA-N -1 3 333.359 3.131 20 10 EGCDHM CCN(Cc1ccnc(N)c1)Cc1cc(Br)ccc1[O-] ZINC000193365276 455755353 /nfs/dbraw/zinc/75/53/53/455755353.db2.gz WMNQKVQKOXDYGC-UHFFFAOYSA-N -1 3 336.233 3.154 20 10 EGCDHM COc1cc(Cl)cc(CN(C)CCNC(=O)OC(C)(C)C)c1[O-] ZINC000296564096 455974618 /nfs/dbraw/zinc/97/46/18/455974618.db2.gz NYCHWGIVIKNSSG-UHFFFAOYSA-N -1 3 344.839 3.011 20 10 EGCDHM Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(Cl)c1 ZINC000000212964 452537216 /nfs/dbraw/zinc/53/72/16/452537216.db2.gz YKVUMRRQMYWFRI-UHFFFAOYSA-N -1 3 339.829 3.454 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)SC ZINC000075416852 453891759 /nfs/dbraw/zinc/89/17/59/453891759.db2.gz YJDHEDSTFDXBKV-VIFPVBQESA-N -1 3 332.263 3.255 20 10 EGCDHM COCCN(Cc1ccco1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184681021 455427329 /nfs/dbraw/zinc/42/73/29/455427329.db2.gz VVESJVPAOHFMRJ-UHFFFAOYSA-N -1 3 325.792 3.296 20 10 EGCDHM CCCOc1ccc(CN2CCO[C@@H](c3nccs3)C2)c([O-])c1 ZINC000092831785 454642899 /nfs/dbraw/zinc/64/28/99/454642899.db2.gz SKFCAEPSJIHPBM-MRXNPFEDSA-N -1 3 334.441 3.211 20 10 EGCDHM CC(=O)c1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000109773537 454836777 /nfs/dbraw/zinc/83/67/77/454836777.db2.gz IKRXHIVUDGIFRD-ZDUSSCGKSA-N -1 3 326.396 3.054 20 10 EGCDHM O=C1CCCN1Cc1ccccc1CNCc1c([O-])cccc1Cl ZINC000264956853 455297888 /nfs/dbraw/zinc/29/78/88/455297888.db2.gz MOUXOURPFSZASX-UHFFFAOYSA-N -1 3 344.842 3.458 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2nc3ccccc3o2)CC1 ZINC000192870401 455709738 /nfs/dbraw/zinc/70/97/38/455709738.db2.gz QMWVUGOMKYVWDV-UHFFFAOYSA-N -1 3 338.363 3.259 20 10 EGCDHM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cccc(O)c1[O-] ZINC000193064107 455740871 /nfs/dbraw/zinc/74/08/71/455740871.db2.gz QKKLGWHEXJFOIV-MEDUHNTESA-N -1 3 347.798 3.353 20 10 EGCDHM Cc1nnsc1CN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000293780523 455797584 /nfs/dbraw/zinc/79/75/84/455797584.db2.gz TWXLEXPMQAZLAH-ZETCQYMHSA-N -1 3 328.235 3.165 20 10 EGCDHM COc1cc(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1F ZINC000278537325 455838403 /nfs/dbraw/zinc/83/84/03/455838403.db2.gz WJYYMRSZEYSOKT-UHFFFAOYSA-N -1 3 336.319 3.377 20 10 EGCDHM COc1c([O-])c(CN2Cc3ccccc3OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278530517 455839026 /nfs/dbraw/zinc/83/90/26/455839026.db2.gz VANOSMUTDCNLIW-LBPRGKRZSA-N -1 3 344.367 3.092 20 10 EGCDHM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](CO)c1ccccc1 ZINC000295132796 455840294 /nfs/dbraw/zinc/84/02/94/455840294.db2.gz YIQLWOUWIMLOOF-HNNXBMFYSA-N -1 3 336.775 3.119 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2c(F)cncc2F)c1 ZINC000285507376 455860168 /nfs/dbraw/zinc/86/01/68/455860168.db2.gz AXXZWAZJGKCPSY-UWVGGRQHSA-N -1 3 336.338 3.264 20 10 EGCDHM C[C@@H](N[C@H](C)c1ccc(F)c(F)c1[O-])C(=O)NCc1ccccc1 ZINC000187671685 455936486 /nfs/dbraw/zinc/93/64/86/455936486.db2.gz SIROLXRHXLKLPK-VXGBXAGGSA-N -1 3 334.366 3.026 20 10 EGCDHM COc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])c(C)c1OC ZINC000286253614 456009243 /nfs/dbraw/zinc/00/92/43/456009243.db2.gz UNJBFCKUQPVFLB-GFCCVEGCSA-N -1 3 346.383 3.477 20 10 EGCDHM CCCOc1ccc(CN(CCOC)Cc2cccnc2)c([O-])c1 ZINC000289504562 456127350 /nfs/dbraw/zinc/12/73/50/456127350.db2.gz TZIXYZZKOZNAGU-UHFFFAOYSA-N -1 3 330.428 3.225 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](Nc2ncc(F)cn2)C1 ZINC000301764050 456209332 /nfs/dbraw/zinc/20/93/32/456209332.db2.gz HEKCIROYZPASOS-AWEZNQCLSA-N -1 3 336.798 3.051 20 10 EGCDHM COc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1OC ZINC000273300333 456222689 /nfs/dbraw/zinc/22/26/89/456222689.db2.gz BFFAROPUZPKAKH-LLVKDONJSA-N -1 3 332.356 3.168 20 10 EGCDHM C[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Cl)ccc1[O-] ZINC000273489440 456235219 /nfs/dbraw/zinc/23/52/19/456235219.db2.gz OAUOLOSIMRZBPI-GUYCJALGSA-N -1 3 344.842 3.497 20 10 EGCDHM C[C@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(F)cc1[O-] ZINC000273586927 456238357 /nfs/dbraw/zinc/23/83/57/456238357.db2.gz OAIMXKZQFHTZQA-ZDUSSCGKSA-N -1 3 346.402 3.335 20 10 EGCDHM Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c([O-])c1O ZINC000365935536 457784482 /nfs/dbraw/zinc/78/44/82/457784482.db2.gz XWSQRXRGTKGDTM-KRWDZBQOSA-N -1 3 334.375 3.321 20 10 EGCDHM COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2cccc(O)c2[O-])c1 ZINC000369139359 458098565 /nfs/dbraw/zinc/09/85/65/458098565.db2.gz JDNNBARMMVUZJV-BLLLJJGKSA-N -1 3 327.380 3.330 20 10 EGCDHM CCCCN(Cc1coc(S(C)(=O)=O)c1)Cc1ccccc1[O-] ZINC000528489680 459807979 /nfs/dbraw/zinc/80/79/79/459807979.db2.gz QVRAETYDKOWTNJ-UHFFFAOYSA-N -1 3 337.441 3.191 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000731870412 575213617 /nfs/dbraw/zinc/21/36/17/575213617.db2.gz GPXIAKYRPKUTGR-UHFFFAOYSA-N -1 3 327.409 3.350 20 10 EGCDHM CC1CCN(c2ccc(CNC(=O)c3cc([O-])cs3)cn2)CC1 ZINC000731871721 575214333 /nfs/dbraw/zinc/21/43/33/575214333.db2.gz KTHQKUMLMGFFMP-UHFFFAOYSA-N -1 3 331.441 3.015 20 10 EGCDHM [O-]c1ccccc1CN(Cc1ccco1)Cc1nnc2n1CCCC2 ZINC000732202590 575244362 /nfs/dbraw/zinc/24/43/62/575244362.db2.gz YDCNGWHCAZOSTL-UHFFFAOYSA-N -1 3 338.411 3.115 20 10 EGCDHM CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000732277618 575253113 /nfs/dbraw/zinc/25/31/13/575253113.db2.gz OXJDFKZAZZKILU-UHFFFAOYSA-N -1 3 332.425 3.368 20 10 EGCDHM CCc1noc(-c2ccc(CCNC(=O)c3cc([O-])cs3)cc2)n1 ZINC000732284964 575255022 /nfs/dbraw/zinc/25/50/22/575255022.db2.gz KGJBMKUJTXJOHD-UHFFFAOYSA-N -1 3 343.408 3.039 20 10 EGCDHM Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000732353916 575261615 /nfs/dbraw/zinc/26/16/15/575261615.db2.gz WUEBIPOZUIODIK-UHFFFAOYSA-N -1 3 325.773 3.211 20 10 EGCDHM CC(C)[C@H](NC(=O)COC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732353744 575261705 /nfs/dbraw/zinc/26/17/05/575261705.db2.gz UGKKIXVDESOMCZ-INIZCTEOSA-N -1 3 333.409 3.124 20 10 EGCDHM O=C([O-])C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc2c(cc1[O-])CCC2 ZINC000739795457 576505777 /nfs/dbraw/zinc/50/57/77/576505777.db2.gz IEGJXQAAQGCWPK-UHFFFAOYSA-N -1 3 347.361 3.246 20 10 EGCDHM O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc2c(cc1[O-])CCC2 ZINC000739795457 576505778 /nfs/dbraw/zinc/50/57/78/576505778.db2.gz IEGJXQAAQGCWPK-UHFFFAOYSA-N -1 3 347.361 3.246 20 10 EGCDHM CN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc(N2CCCCC2)cc1 ZINC000833695510 605100581 /nfs/dbraw/zinc/10/05/81/605100581.db2.gz OTGUWUWJLSBGAM-UHFFFAOYSA-N -1 3 327.428 3.335 20 10 EGCDHM COc1ccc(N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000821828107 606881614 /nfs/dbraw/zinc/88/16/14/606881614.db2.gz QGKAFGBGIRJZDQ-UHFFFAOYSA-N -1 3 329.791 3.165 20 10 EGCDHM COc1ccc(N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000821828107 606881616 /nfs/dbraw/zinc/88/16/16/606881616.db2.gz QGKAFGBGIRJZDQ-UHFFFAOYSA-N -1 3 329.791 3.165 20 10 EGCDHM COC(=O)C1(NCc2cc(F)cc(C(C)=O)c2[O-])CCCCCC1 ZINC000154762501 1294069045 /nfs/dbraw/zinc/06/90/45/1294069045.db2.gz JGSXNVFGLNRORB-UHFFFAOYSA-N -1 3 337.391 3.090 20 10 EGCDHM Cn1c2ccccc2nc1C(C)(C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000185635474 1295275971 /nfs/dbraw/zinc/27/59/71/1295275971.db2.gz CUZFCVADIYCGEH-UHFFFAOYSA-N -1 3 340.383 3.212 20 10 EGCDHM C[C@@H](NCC(F)(F)CNC(=O)OC(C)(C)C)c1cc(F)ccc1[O-] ZINC000379809896 1297541043 /nfs/dbraw/zinc/54/10/43/1297541043.db2.gz JRTBWXJGKPOCPI-SNVBAGLBSA-N -1 3 348.365 3.342 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876652646 1298898544 /nfs/dbraw/zinc/89/85/44/1298898544.db2.gz GHIZDQODICVQOA-LLVKDONJSA-N -1 3 342.386 3.017 20 10 EGCDHM Cc1ccc2c(c1)N[C@H](c1cc(O)cc(Br)c1[O-])NC2=O ZINC000877865000 1299614946 /nfs/dbraw/zinc/61/49/46/1299614946.db2.gz VPNMWDMDAKRASO-AWEZNQCLSA-N -1 3 349.184 3.023 20 10 EGCDHM Cc1cc(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])[nH]n1 ZINC000756584317 1300526954 /nfs/dbraw/zinc/52/69/54/1300526954.db2.gz FFADTWSOEFBFIP-QMMMGPOBSA-N -1 3 328.185 3.176 20 10 EGCDHM C[C@@H](NCc1cccc(C(=O)NC2CC2)c1)c1c([O-])cccc1F ZINC000886516633 1303483458 /nfs/dbraw/zinc/48/34/58/1303483458.db2.gz RDBZSFYSRDXOQR-GFCCVEGCSA-N -1 3 328.387 3.274 20 10 EGCDHM C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1c([O-])cccc1F ZINC000886547638 1303495771 /nfs/dbraw/zinc/49/57/71/1303495771.db2.gz PBIRBFJOPLHAHB-RISCZKNCSA-N -1 3 332.350 3.127 20 10 EGCDHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(N(C)C)cc1 ZINC000773611856 1303713548 /nfs/dbraw/zinc/71/35/48/1303713548.db2.gz AJLUHEWRDFOTTF-GFCCVEGCSA-N -1 3 331.391 3.158 20 10 EGCDHM C[C@@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1nnnn1C1CC1 ZINC000774379856 1303804026 /nfs/dbraw/zinc/80/40/26/1303804026.db2.gz GPPKAVYWDSFMEH-JGVFFNPUSA-N -1 3 342.230 3.432 20 10 EGCDHM COc1c([O-])c(CN2C[C@H](C(F)(F)F)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775055207 1303896331 /nfs/dbraw/zinc/89/63/31/1303896331.db2.gz QWYSFPJXBGSRBD-MWLCHTKSSA-N -1 3 348.321 3.472 20 10 EGCDHM COc1c([O-])c(CN2C[C@@H](C)Oc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC000775072861 1303902191 /nfs/dbraw/zinc/90/21/91/1303902191.db2.gz GKDJSEFQNQDDDU-SNVBAGLBSA-N -1 3 348.330 3.236 20 10 EGCDHM CCCCNC(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775650756 1304005615 /nfs/dbraw/zinc/00/56/15/1304005615.db2.gz FNOIYHBGXATCFC-UHFFFAOYSA-N -1 3 342.842 3.313 20 10 EGCDHM COc1ccccc1C1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000776338450 1304136702 /nfs/dbraw/zinc/13/67/02/1304136702.db2.gz IQJHSWQSGMSTBI-UHFFFAOYSA-N -1 3 341.407 3.348 20 10 EGCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000776743857 1304191284 /nfs/dbraw/zinc/19/12/84/1304191284.db2.gz AIAVFOSECWIGRD-UHFFFAOYSA-N -1 3 347.314 3.134 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000779003208 1304516977 /nfs/dbraw/zinc/51/69/77/1304516977.db2.gz SQTLCLBLQRTZGG-AWEZNQCLSA-N -1 3 338.423 3.411 20 10 EGCDHM COC(=O)c1ccc2c(c1)CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC000779598474 1304585719 /nfs/dbraw/zinc/58/57/19/1304585719.db2.gz ASWVETGGQUWIPH-UHFFFAOYSA-N -1 3 331.799 3.391 20 10 EGCDHM Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)co1 ZINC000780934757 1304753416 /nfs/dbraw/zinc/75/34/16/1304753416.db2.gz ABLDLEJBWYQRIV-INIZCTEOSA-N -1 3 348.830 3.341 20 10 EGCDHM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000787816144 1305801420 /nfs/dbraw/zinc/80/14/20/1305801420.db2.gz USHHFFYZOOPEMI-AWEZNQCLSA-N -1 3 335.787 3.211 20 10 EGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000790417104 1306322895 /nfs/dbraw/zinc/32/28/95/1306322895.db2.gz HMAGGLNEPHELJF-UHFFFAOYSA-N -1 3 347.436 3.469 20 10 EGCDHM O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC000790613484 1306362339 /nfs/dbraw/zinc/36/23/39/1306362339.db2.gz BHICRRRCBHPFQI-WCQYABFASA-N -1 3 337.297 3.403 20 10 EGCDHM CC1(C)C[C@H](NC(=O)c2cccc(O)c2[O-])c2ccc(F)cc2O1 ZINC000790891652 1308882791 /nfs/dbraw/zinc/88/27/91/1308882791.db2.gz RBZMLFUYHVGQOQ-ZDUSSCGKSA-N -1 3 331.343 3.269 20 10 EGCDHM COc1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000790962165 1308897239 /nfs/dbraw/zinc/89/72/39/1308897239.db2.gz GZRCLHIQGJJECE-UHFFFAOYSA-N -1 3 340.738 3.391 20 10 EGCDHM C[S@](=O)c1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790973590 1308900540 /nfs/dbraw/zinc/90/05/40/1308900540.db2.gz OFZPIPLUBOJSED-NRFANRHFSA-N -1 3 327.808 3.212 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](COc2ccccc2)C1 ZINC000792189185 1309140074 /nfs/dbraw/zinc/14/00/74/1309140074.db2.gz RDFZVRVEQNVWPB-KRWDZBQOSA-N -1 3 333.815 3.325 20 10 EGCDHM COc1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)ccc1O ZINC000797819426 1310251816 /nfs/dbraw/zinc/25/18/16/1310251816.db2.gz IZMVWVIKLQXKAZ-UHFFFAOYSA-N -1 3 335.425 3.435 20 10 EGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c([O-])cccc1OC ZINC000900400394 1317284436 /nfs/dbraw/zinc/28/44/36/1317284436.db2.gz NONVIDZZCOTQOL-UHFFFAOYSA-N -1 3 328.412 3.129 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697493 1317866075 /nfs/dbraw/zinc/86/60/75/1317866075.db2.gz HWWITKSXIRVOEE-SCZZXKLOSA-N -1 3 341.732 3.177 20 10 EGCDHM CN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2ccccc2C1 ZINC000816618509 1319195612 /nfs/dbraw/zinc/19/56/12/1319195612.db2.gz ZPRFLGYOEFBIIA-UHFFFAOYSA-N -1 3 347.802 3.406 20 10 EGCDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])c(C(F)(F)F)c1 ZINC000818057599 1319496352 /nfs/dbraw/zinc/49/63/52/1319496352.db2.gz UHIFXAONHDSMOS-UHFFFAOYSA-N -1 3 327.258 3.378 20 10 EGCDHM CCO[C@@H](C)c1noc(CN(C)Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000824884097 1320293861 /nfs/dbraw/zinc/29/38/61/1320293861.db2.gz UCUJATVMXKETHY-NSHDSACASA-N -1 3 339.823 3.467 20 10 EGCDHM [O-]c1c(Br)cccc1CN1CCSC[C@@H]1C1CC1 ZINC000824913582 1320295760 /nfs/dbraw/zinc/29/57/60/1320295760.db2.gz BFDMTQFWMXSMED-CYBMUJFWSA-N -1 3 328.275 3.482 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000839857224 1320987611 /nfs/dbraw/zinc/98/76/11/1320987611.db2.gz NKKOOXBBYQSKED-SFHVURJKSA-N -1 3 339.391 3.092 20 10 EGCDHM CCn1ccc(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])n1 ZINC000840840551 1321160857 /nfs/dbraw/zinc/16/08/57/1321160857.db2.gz LHQORTOCYCBWCB-VIFPVBQESA-N -1 3 342.212 3.361 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])c1[O-] ZINC000840998611 1321196100 /nfs/dbraw/zinc/19/61/00/1321196100.db2.gz KDYHDZITKJFWAA-LBPRGKRZSA-N -1 3 329.824 3.423 20 10 EGCDHM C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1ccc2ccccc2c1[O-] ZINC000848556667 1321975475 /nfs/dbraw/zinc/97/54/75/1321975475.db2.gz CIFLLFYQZVLQIG-LRDDRELGSA-N -1 3 338.411 3.366 20 10 EGCDHM [O-]c1cc(Br)cc(F)c1CN1CCC2(CCOC2)CC1 ZINC001233027739 1376557293 /nfs/dbraw/zinc/55/72/93/1376557293.db2.gz XPLBRKWLQKPWHW-UHFFFAOYSA-N -1 3 344.224 3.296 20 10 EGCDHM Cc1ccnc(F)c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001199715263 1369259386 /nfs/dbraw/zinc/25/93/86/1369259386.db2.gz KVEMHEHPPAEAFM-UHFFFAOYSA-N -1 3 345.761 3.366 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCc2cc(O)ccc2C1 ZINC001203640090 1370196947 /nfs/dbraw/zinc/19/69/47/1370196947.db2.gz RIHPOZYTXFNARB-UHFFFAOYSA-N -1 3 334.213 3.419 20 10 EGCDHM Cc1nc2c(s1)CN(Cc1cc(Br)ccc1[O-])C2 ZINC001203649780 1370200206 /nfs/dbraw/zinc/20/02/06/1370200206.db2.gz GMIXXQVWTCKLLN-UHFFFAOYSA-N -1 3 325.231 3.435 20 10 EGCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2cnn(CC)c21 ZINC001203656796 1370203621 /nfs/dbraw/zinc/20/36/21/1370203621.db2.gz XYMOAHYJMVMRGN-OAHLLOKOSA-N -1 3 349.862 3.398 20 10 EGCDHM COc1ccc(Cl)cc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325522 1373197680 /nfs/dbraw/zinc/19/76/80/1373197680.db2.gz XMMJIJYSAGRVDP-UHFFFAOYSA-N -1 3 334.715 3.182 20 10 EGCDHM Cn1cc2cccc(-c3noc(-c4ccc([O-])c(O)c4Cl)n3)c2n1 ZINC001216951317 1373370386 /nfs/dbraw/zinc/37/03/86/1373370386.db2.gz FOKMTOCEDPVECT-UHFFFAOYSA-N -1 3 342.742 3.355 20 10 EGCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC[C@H]3CCCCO3)cccc21 ZINC001226379295 1375249057 /nfs/dbraw/zinc/24/90/57/1375249057.db2.gz BKWHKPRUUIIRRS-GFCCVEGCSA-N -1 3 338.359 3.116 20 10 EGCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@H]1CCCCO1 ZINC001227937081 1375493358 /nfs/dbraw/zinc/49/33/58/1375493358.db2.gz AKIGLCHRIFOEDJ-CQSZACIVSA-N -1 3 328.364 3.277 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC001231566674 1376266909 /nfs/dbraw/zinc/26/69/09/1376266909.db2.gz PUEBVBRFFBIMLB-UHFFFAOYSA-N -1 3 327.380 3.176 20 10 EGCDHM CCOC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2ncn(C)c21 ZINC001231868945 1376330594 /nfs/dbraw/zinc/33/05/94/1376330594.db2.gz ZSNPWURGPFZBQO-CQSZACIVSA-N -1 3 349.862 3.223 20 10 EGCDHM Cc1cnc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)s1 ZINC001231870536 1376331583 /nfs/dbraw/zinc/33/15/83/1376331583.db2.gz HVIWUPABPVOEDQ-UHFFFAOYSA-N -1 3 337.876 3.441 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3cccc(Cl)c3[O-])C[C@@H]21 ZINC001231914781 1376350545 /nfs/dbraw/zinc/35/05/45/1376350545.db2.gz QHBNTNZRKGWDHA-JSGCOSHPSA-N -1 3 338.835 3.097 20 10 EGCDHM COC(=O)c1ccc(C2CN(Cc3cccc(Cl)c3[O-])C2)cc1 ZINC001231915068 1376351474 /nfs/dbraw/zinc/35/14/74/1376351474.db2.gz XAGQAYVTDKJDDH-UHFFFAOYSA-N -1 3 331.799 3.432 20 10 EGCDHM C[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)CC[C@@]1(C)O ZINC001233027042 1376556247 /nfs/dbraw/zinc/55/62/47/1376556247.db2.gz KQNQQFYUSYMXFA-MEBBXXQBSA-N -1 3 346.240 3.277 20 10 EGCDHM O=C1OC2(CCN(Cc3c([O-])ccc(F)c3F)CC2)c2ccccc21 ZINC001233334747 1376619493 /nfs/dbraw/zinc/61/94/93/1376619493.db2.gz RVNKCVZLPQVYCC-UHFFFAOYSA-N -1 3 345.345 3.332 20 10 EGCDHM C[C@@H]1CCN(Cc2c([O-])cccc2F)CCN1C(=O)OC(C)(C)C ZINC001137832856 1377624522 /nfs/dbraw/zinc/62/45/22/1377624522.db2.gz KGMHWDNINIOJBY-CYBMUJFWSA-N -1 3 338.423 3.363 20 10 EGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCc2cc(O)ccc2C1 ZINC001139124798 1377833838 /nfs/dbraw/zinc/83/38/38/1377833838.db2.gz FQUBBXKRIIFFIA-UHFFFAOYSA-N -1 3 337.375 3.071 20 10 EGCDHM Cc1cccc(N2CCCN(Cc3c(F)ccc(F)c3[O-])CC2)n1 ZINC001139686390 1377935049 /nfs/dbraw/zinc/93/50/49/1377935049.db2.gz XLLFAGIJXMQWAS-UHFFFAOYSA-N -1 3 333.382 3.086 20 10 EGCDHM O=C1CCN(Cc2c([O-])cccc2Br)[C@@H]2CCCC[C@H]12 ZINC001140098588 1378007699 /nfs/dbraw/zinc/00/76/99/1378007699.db2.gz GIHCWNMXUBAVIR-SMDDNHRTSA-N -1 3 338.245 3.488 20 10 EGCDHM C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1c([O-])cccc1Br ZINC001140103268 1378008865 /nfs/dbraw/zinc/00/88/65/1378008865.db2.gz HBSVHDDORWCPBK-JTQLQIEISA-N -1 3 344.249 3.317 20 10 EGCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c([O-])cccc1Cl ZINC001140339815 1378048999 /nfs/dbraw/zinc/04/89/99/1378048999.db2.gz ZDMFZMANWNVNRD-LBPRGKRZSA-N -1 3 340.851 3.487 20 10 EGCDHM COC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(Cl)cc1[O-] ZINC001140464217 1378066561 /nfs/dbraw/zinc/06/65/61/1378066561.db2.gz HDWPSEBAHHPQGR-MRXNPFEDSA-N -1 3 331.799 3.146 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])cc(F)cc2F)CCC[C@]1(O)C(F)(F)F ZINC001140582265 1378089307 /nfs/dbraw/zinc/08/93/07/1378089307.db2.gz FVBXIAYKTKMKQZ-YMTOWFKASA-N -1 3 339.304 3.196 20 10 EGCDHM COc1cccc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)c1 ZINC001142508948 1378451151 /nfs/dbraw/zinc/45/11/51/1378451151.db2.gz QPOAVMQNMHBDQR-UHFFFAOYSA-N -1 3 334.366 3.001 20 10 EGCDHM O=C(Nc1cnc2cc(Cl)ccc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148582195 1379215818 /nfs/dbraw/zinc/21/58/18/1379215818.db2.gz ZSSUKLKLBDTRMP-UHFFFAOYSA-N -1 3 330.727 3.257 20 10 EGCDHM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cc(O)c([O-])c(O)c1 ZINC001148590761 1379219906 /nfs/dbraw/zinc/21/99/06/1379219906.db2.gz ORYSVMLNTVBEPY-RUZGCFLTSA-N -1 3 339.391 3.116 20 10 EGCDHM COC(=O)c1cnc([C@@H](C)NCc2cc(Cl)c(C)cc2[O-])s1 ZINC001328209598 1388689691 /nfs/dbraw/zinc/68/96/91/1388689691.db2.gz NPXIUPXRUKTWHB-SECBINFHSA-N -1 3 340.832 3.448 20 10 EGCDHM Cn1ccc2nc(NCc3cc(Cl)c4cccnc4c3[O-])ncc21 ZINC001168527392 1383930509 /nfs/dbraw/zinc/93/05/09/1383930509.db2.gz FYZMUGQISXALJA-UHFFFAOYSA-N -1 3 339.786 3.488 20 10 EGCDHM COC(=O)c1nc2ccc(NCc3cc4ccccc4cc3O)nc2[n-]1 ZINC001171407657 1384514583 /nfs/dbraw/zinc/51/45/83/1384514583.db2.gz RYMNVQLGUNWGBG-UHFFFAOYSA-N -1 3 348.362 3.215 20 10 EGCDHM COC(=O)c1nc2nc(NCc3cc4ccccc4cc3O)ccc2[n-]1 ZINC001171407657 1384514594 /nfs/dbraw/zinc/51/45/94/1384514594.db2.gz RYMNVQLGUNWGBG-UHFFFAOYSA-N -1 3 348.362 3.215 20 10 EGCDHM COC(=O)c1nc2ccc(NCc3cc4ccccc4cc3O)[n-]c-2n1 ZINC001171407657 1384514596 /nfs/dbraw/zinc/51/45/96/1384514596.db2.gz RYMNVQLGUNWGBG-UHFFFAOYSA-N -1 3 348.362 3.215 20 10 EGCDHM Cc1ccnc(NCc2ccc(N3CCCCC3)cc2)c1-c1nnn[n-]1 ZINC000826313986 947915609 /nfs/dbraw/zinc/91/56/09/947915609.db2.gz ARKUEUGBAGNCIF-UHFFFAOYSA-N -1 3 349.442 3.173 20 10 EGCDHM Cc1ccnc(NCc2ccc(N3CCCCC3)cc2)c1-c1nn[n-]n1 ZINC000826313986 947915617 /nfs/dbraw/zinc/91/56/17/947915617.db2.gz ARKUEUGBAGNCIF-UHFFFAOYSA-N -1 3 349.442 3.173 20 10 EGCDHM CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cc(C(=O)[O-])ccc2O)n[nH]1 ZINC001595015302 982960852 /nfs/dbraw/zinc/96/08/52/982960852.db2.gz HWCRWQAGBWDWIC-GARJFASQSA-N -1 3 332.404 3.134 20 10 EGCDHM C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257572 994531353 /nfs/dbraw/zinc/53/13/53/994531353.db2.gz QEKJCLUZEKGAMS-TZMCWYRMSA-N -1 3 327.380 3.307 20 10 EGCDHM C[C@H](N[C@@H](C)c1ccc(Br)cc1[O-])C(=O)NC(C)(C)C ZINC000185218104 455523687 /nfs/dbraw/zinc/52/36/87/455523687.db2.gz SFXWQTGOLXDEGN-UWVGGRQHSA-N -1 3 343.265 3.109 20 10 EGCDHM CN(Cc1c(Cl)n(C)nc1C(F)(F)F)Cc1ccccc1[O-] ZINC000272944953 456120083 /nfs/dbraw/zinc/12/00/83/456120083.db2.gz XMGKGHAHPLCUFK-UHFFFAOYSA-N -1 3 333.741 3.430 20 10 EGCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccco1 ZINC000158062984 455264979 /nfs/dbraw/zinc/26/49/79/455264979.db2.gz AFLNWTSFORRUJB-AWEZNQCLSA-N -1 3 334.803 3.033 20 10 EGCDHM O=C(CN(Cc1ccccc1[O-])C[C@@H]1CCCO1)Nc1ccccc1 ZINC000070976794 454191113 /nfs/dbraw/zinc/19/11/13/454191113.db2.gz VOTDCSZXYIAQIY-SFHVURJKSA-N -1 3 340.423 3.012 20 10 EGCDHM CC(C)(C)c1nc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)no1 ZINC000109761395 454836047 /nfs/dbraw/zinc/83/60/47/454836047.db2.gz YKKAEDMJOGXBSW-HNNXBMFYSA-N -1 3 345.443 3.254 20 10 EGCDHM Cc1ccccc1CN(C)C(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000111236041 454859100 /nfs/dbraw/zinc/85/91/00/454859100.db2.gz WWUWDMGMOSVGES-INIZCTEOSA-N -1 3 326.440 3.180 20 10 EGCDHM COc1cccc([C@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000177666241 454889910 /nfs/dbraw/zinc/88/99/10/454889910.db2.gz JDLHZLGYTQBPDG-MRXNPFEDSA-N -1 3 327.380 3.392 20 10 EGCDHM Cc1ccc(C(=O)N2CCC(COc3ccccc3)CC2)c([O-])c1O ZINC000177675779 454890646 /nfs/dbraw/zinc/89/06/46/454890646.db2.gz UCRYQLWLKYXGDK-UHFFFAOYSA-N -1 3 341.407 3.337 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000179907895 455097705 /nfs/dbraw/zinc/09/77/05/455097705.db2.gz RVBYVRXHYBDMRR-HNNXBMFYSA-N -1 3 325.836 3.206 20 10 EGCDHM Cc1cccc(C(=O)N2CCCN(Cc3cc(F)ccc3[O-])CC2)c1 ZINC000179922646 455099630 /nfs/dbraw/zinc/09/96/30/455099630.db2.gz ULKNBJROOGKDLC-UHFFFAOYSA-N -1 3 342.414 3.188 20 10 EGCDHM C[C@H](c1cccnc1)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180249180 455151667 /nfs/dbraw/zinc/15/16/67/455151667.db2.gz SQGCZJGSRRGGSP-CQSZACIVSA-N -1 3 331.847 3.319 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)COC(C)(C)C ZINC000182203052 455459716 /nfs/dbraw/zinc/45/97/16/455459716.db2.gz MZFCPQBIIQLIBZ-UHFFFAOYSA-N -1 3 344.249 3.318 20 10 EGCDHM Cc1ccc(OC2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000182461706 455517946 /nfs/dbraw/zinc/51/79/46/455517946.db2.gz FFERPCWNUBQGEQ-UHFFFAOYSA-N -1 3 341.407 3.398 20 10 EGCDHM CN1CCCc2cc(CNC(=O)c3cc([O-])ccc3Cl)ccc21 ZINC000277693957 455637090 /nfs/dbraw/zinc/63/70/90/455637090.db2.gz NXIQJJYUUATWRZ-UHFFFAOYSA-N -1 3 330.815 3.358 20 10 EGCDHM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cccc(O)c1[O-] ZINC000193064091 455740626 /nfs/dbraw/zinc/74/06/26/455740626.db2.gz QKKLGWHEXJFOIV-BDJLRTHQSA-N -1 3 347.798 3.353 20 10 EGCDHM CCCOc1ccc(CN2CC(C)(C)[C@@H]2c2nccn2C)c([O-])c1 ZINC000294723726 455825047 /nfs/dbraw/zinc/82/50/47/455825047.db2.gz FQSNNGYVZUFHLM-KRWDZBQOSA-N -1 3 329.444 3.498 20 10 EGCDHM COc1cc(Cl)cc(CN2CC(C)(C)[C@H]2c2nccn2C)c1[O-] ZINC000294811705 455828621 /nfs/dbraw/zinc/82/86/21/455828621.db2.gz NWEXJWNRUAQNCY-OAHLLOKOSA-N -1 3 335.835 3.371 20 10 EGCDHM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000186955835 455855964 /nfs/dbraw/zinc/85/59/64/455855964.db2.gz XDRJHSOXEQTZBD-LBPRGKRZSA-N -1 3 342.395 3.012 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2c(F)cncc2F)c1 ZINC000285507370 455860741 /nfs/dbraw/zinc/86/07/41/455860741.db2.gz AXXZWAZJGKCPSY-NXEZZACHSA-N -1 3 336.338 3.264 20 10 EGCDHM CC[C@]1(CO)CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000187636739 455932264 /nfs/dbraw/zinc/93/22/64/455932264.db2.gz MYISZZPPAKXEEE-KRWDZBQOSA-N -1 3 325.836 3.233 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c([O-])c1O ZINC000272668515 456032691 /nfs/dbraw/zinc/03/26/91/456032691.db2.gz OSUHAGSINXDMFJ-UHFFFAOYSA-N -1 3 342.395 3.187 20 10 EGCDHM CC[C@H](NCCS(=O)(=O)C(C)(C)C)c1cccc(Cl)c1[O-] ZINC000287556607 456072459 /nfs/dbraw/zinc/07/24/59/456072459.db2.gz FZJFWFHKLCRDTA-ZDUSSCGKSA-N -1 3 333.881 3.300 20 10 EGCDHM CC[C@@H](NCC(=O)NCC1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287563586 456072519 /nfs/dbraw/zinc/07/25/19/456072519.db2.gz GJGKFXJWNDJSAO-CYBMUJFWSA-N -1 3 331.243 3.266 20 10 EGCDHM CC[C@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287764473 456077791 /nfs/dbraw/zinc/07/77/91/456077791.db2.gz RDLGGPKIHKRNOP-KBPBESRZSA-N -1 3 344.242 3.207 20 10 EGCDHM CCN(Cc1ccc(OC)cc1OC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272839282 456086925 /nfs/dbraw/zinc/08/69/25/456086925.db2.gz QXJXHNOMSFRVGG-UHFFFAOYSA-N -1 3 345.395 3.086 20 10 EGCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000273049494 456159463 /nfs/dbraw/zinc/15/94/63/456159463.db2.gz YDTNPEIPYDDVEB-YDGUKXNOSA-N -1 3 349.427 3.322 20 10 EGCDHM CCC[C@@]1(CO)CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000290070198 456231951 /nfs/dbraw/zinc/23/19/51/456231951.db2.gz FTCHIVJKEQLYSP-OAHLLOKOSA-N -1 3 328.250 3.139 20 10 EGCDHM CCOc1ccccc1CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273400647 456228708 /nfs/dbraw/zinc/22/87/08/456228708.db2.gz MXIBYHVEOJLCIJ-CYBMUJFWSA-N -1 3 329.396 3.428 20 10 EGCDHM C[C@@H](NCc1ccc(N2CCCC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273426606 456229584 /nfs/dbraw/zinc/22/95/84/456229584.db2.gz UHWUVNNVXXFJJY-CYBMUJFWSA-N -1 3 342.399 3.146 20 10 EGCDHM CCCOc1ccc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cn1 ZINC000273570678 456239522 /nfs/dbraw/zinc/23/95/22/456239522.db2.gz KQRUTQAWEYEUBU-ZDUSSCGKSA-N -1 3 344.411 3.213 20 10 EGCDHM CC(C)S(=O)(=O)CCN[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000290190395 456263127 /nfs/dbraw/zinc/26/31/27/456263127.db2.gz FXSOGCGFSQVFJT-SECBINFHSA-N -1 3 340.272 3.173 20 10 EGCDHM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000275032119 456268981 /nfs/dbraw/zinc/26/89/81/456268981.db2.gz UHMLVLIHXBBYKO-ZDUSSCGKSA-N -1 3 343.379 3.298 20 10 EGCDHM O=C(Nc1ccccc1)N1CC[C@H](NCc2c([O-])cccc2Cl)C1 ZINC000282931862 456667255 /nfs/dbraw/zinc/66/72/55/456667255.db2.gz HZYNRQFXIQSPCR-AWEZNQCLSA-N -1 3 345.830 3.442 20 10 EGCDHM CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])[nH]1 ZINC000277342995 456786288 /nfs/dbraw/zinc/78/62/88/456786288.db2.gz VDOXEALQCMKAIA-SRVKXCTJSA-N -1 3 346.431 3.222 20 10 EGCDHM CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])n[nH]1 ZINC000277342995 456786293 /nfs/dbraw/zinc/78/62/93/456786293.db2.gz VDOXEALQCMKAIA-SRVKXCTJSA-N -1 3 346.431 3.222 20 10 EGCDHM O=C1[C@@H](NCc2c([O-])ccc(Cl)c2F)CCN1Cc1ccccc1 ZINC000365075795 457725890 /nfs/dbraw/zinc/72/58/90/457725890.db2.gz CFWYWYQYQALDBT-HNNXBMFYSA-N -1 3 348.805 3.075 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](NCc2cscn2)C1 ZINC000361536366 457777956 /nfs/dbraw/zinc/77/79/56/457777956.db2.gz STQYALLDBTYIID-CQSZACIVSA-N -1 3 337.876 3.256 20 10 EGCDHM CC(F)(F)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000372943544 458355111 /nfs/dbraw/zinc/35/51/11/458355111.db2.gz SPNIWLOSULRQHP-CYBMUJFWSA-N -1 3 346.805 3.172 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC([C@@H]3CCOC3)CC2)c1[O-] ZINC000374924284 547814043 /nfs/dbraw/zinc/81/40/43/547814043.db2.gz GNWIYUFLKRCPDU-GFCCVEGCSA-N -1 3 340.807 3.202 20 10 EGCDHM COc1cccc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)c1O ZINC000729858876 574891717 /nfs/dbraw/zinc/89/17/17/574891717.db2.gz FUTDJTZJGAIIMM-UHFFFAOYSA-N -1 3 341.741 3.462 20 10 EGCDHM COc1ccc(C(=O)C2CCN(C(=O)c3cc([O-])cs3)CC2)cc1 ZINC000731868447 575216653 /nfs/dbraw/zinc/21/66/53/575216653.db2.gz ZQGKMEZLWUGGRV-UHFFFAOYSA-N -1 3 345.420 3.197 20 10 EGCDHM C[C@H]1CN(c2ccccc2NC(=O)c2cc([O-])cs2)C[C@H](C)O1 ZINC000732274283 575252220 /nfs/dbraw/zinc/25/22/20/575252220.db2.gz QQWTWGAJGARPHB-RYUDHWBXSA-N -1 3 332.425 3.320 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCc2c(Br)cccc2C1 ZINC000732281537 575254177 /nfs/dbraw/zinc/25/41/77/575254177.db2.gz OGEWLDQLHWDEBZ-UHFFFAOYSA-N -1 3 338.226 3.415 20 10 EGCDHM O=C(COC(=O)c1cc([O-])cs1)Nc1ccc2ccccc2c1 ZINC000732354204 575261603 /nfs/dbraw/zinc/26/16/03/575261603.db2.gz HKFBSDWHODGYIR-UHFFFAOYSA-N -1 3 327.361 3.402 20 10 EGCDHM Cc1nccc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000742406206 576780431 /nfs/dbraw/zinc/78/04/31/576780431.db2.gz GPSLMLBNICKAPE-HNNXBMFYSA-N -1 3 332.835 3.221 20 10 EGCDHM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc([O-])cs1 ZINC000743806714 576816166 /nfs/dbraw/zinc/81/61/66/576816166.db2.gz RXRBRYRCVDPUMH-UHFFFAOYSA-N -1 3 345.468 3.227 20 10 EGCDHM CCc1ccc(C(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)cc1 ZINC000179933940 1294842194 /nfs/dbraw/zinc/84/21/94/1294842194.db2.gz MEWRLTYYSVMHGZ-UHFFFAOYSA-N -1 3 342.414 3.052 20 10 EGCDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C ZINC000187057801 1295365527 /nfs/dbraw/zinc/36/55/27/1295365527.db2.gz FEXMESNZLMTSDS-UHFFFAOYSA-N -1 3 330.409 3.298 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](n3ccnc3)C2)c1[O-] ZINC000750044243 1299328564 /nfs/dbraw/zinc/32/85/64/1299328564.db2.gz TYVUVYWQEMEKDY-OAHLLOKOSA-N -1 3 333.819 3.282 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](n3ccnc3)C2)c1[O-] ZINC000750044241 1299329338 /nfs/dbraw/zinc/32/93/38/1299329338.db2.gz TYVUVYWQEMEKDY-HNNXBMFYSA-N -1 3 333.819 3.282 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1[O-] ZINC000750830667 1299459405 /nfs/dbraw/zinc/45/94/05/1299459405.db2.gz OHVAUGZZFDBEIY-OAHLLOKOSA-N -1 3 337.391 3.040 20 10 EGCDHM Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)c([O-])c1O ZINC000751533841 1299563600 /nfs/dbraw/zinc/56/36/00/1299563600.db2.gz SNTWQKQGPHRWKF-UHFFFAOYSA-N -1 3 327.365 3.177 20 10 EGCDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756535982 1300516270 /nfs/dbraw/zinc/51/62/70/1300516270.db2.gz SZEFBCKCOJCLIT-SECBINFHSA-N -1 3 338.310 3.438 20 10 EGCDHM COc1ccc2c(c1)OCC[C@H]2N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756614666 1300531751 /nfs/dbraw/zinc/53/17/51/1300531751.db2.gz UMTPKVSKBSWEKN-MEDUHNTESA-N -1 3 344.367 3.483 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](CO)Oc3ccccc32)c1[O-] ZINC000759738387 1301152292 /nfs/dbraw/zinc/15/22/92/1301152292.db2.gz BLJAFUXLLLKHLV-CQSZACIVSA-N -1 3 347.798 3.008 20 10 EGCDHM Cc1cc(C)c(NC(=O)CNCc2cc(F)cc(F)c2[O-])c(C)c1 ZINC000882879146 1302143876 /nfs/dbraw/zinc/14/38/76/1302143876.db2.gz JGVNRDLIQLHBFK-UHFFFAOYSA-N -1 3 334.366 3.324 20 10 EGCDHM CCC[C@@H]1C(=O)NCCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000765707318 1302312180 /nfs/dbraw/zinc/31/21/80/1302312180.db2.gz YHDDUMYBOQAIPF-MRXNPFEDSA-N -1 3 338.407 3.392 20 10 EGCDHM O=C1[N-]C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)c2ccccc21 ZINC000767906227 1302782468 /nfs/dbraw/zinc/78/24/68/1302782468.db2.gz LITQXKCVSJVABP-XMHGGMMESA-N -1 3 332.403 3.488 20 10 EGCDHM COC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1[O-] ZINC000769516932 1303132940 /nfs/dbraw/zinc/13/29/40/1303132940.db2.gz VNYNXIQQVDNJRU-KRWDZBQOSA-N -1 3 331.799 3.318 20 10 EGCDHM Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000770500511 1303278054 /nfs/dbraw/zinc/27/80/54/1303278054.db2.gz DODFHEMIWIBLJJ-UHFFFAOYSA-N -1 3 337.379 3.461 20 10 EGCDHM COCC(=O)N1CCc2cc(N[C@@H](C)c3c([O-])cccc3F)ccc21 ZINC000886593887 1303516064 /nfs/dbraw/zinc/51/60/64/1303516064.db2.gz BFUYMHVNMUWMCJ-LBPRGKRZSA-N -1 3 344.386 3.240 20 10 EGCDHM Cc1ccnc(-c2nnc([C@H](C)[NH2+][C@H](C)c3c([O-])cccc3F)[n-]2)c1 ZINC000886603644 1303519085 /nfs/dbraw/zinc/51/90/85/1303519085.db2.gz SRBUAMOJTWMSOB-NEPJUHHUSA-N -1 3 341.390 3.432 20 10 EGCDHM COc1c([O-])c(CNc2cccc(OCCF)c2)ccc1[N+](=O)[O-] ZINC000774939392 1303880399 /nfs/dbraw/zinc/88/03/99/1303880399.db2.gz UAQYYMWQNSNICU-UHFFFAOYSA-N -1 3 336.319 3.269 20 10 EGCDHM COc1c([O-])c(CNc2cccc3cccnc32)ccc1[N+](=O)[O-] ZINC000774979360 1303885333 /nfs/dbraw/zinc/88/53/33/1303885333.db2.gz YIJNJMJMRSSRBW-UHFFFAOYSA-N -1 3 325.324 3.469 20 10 EGCDHM COc1c([O-])c(CN[C@@H](c2ncc(C)s2)C2CC2)ccc1[N+](=O)[O-] ZINC000775024615 1303890889 /nfs/dbraw/zinc/89/08/89/1303890889.db2.gz RBOSMMKIHFFGCC-CYBMUJFWSA-N -1 3 349.412 3.315 20 10 EGCDHM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000888896559 1304316972 /nfs/dbraw/zinc/31/69/72/1304316972.db2.gz PCOLTEXJKROYOZ-VBHSOAQHSA-N -1 3 327.380 3.089 20 10 EGCDHM Cc1c(NCc2c([O-])cccc2Cl)cccc1N1CCNC1=O ZINC000785556397 1305377496 /nfs/dbraw/zinc/37/74/96/1305377496.db2.gz HVMYQUQJIJMBIE-UHFFFAOYSA-N -1 3 331.803 3.496 20 10 EGCDHM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000787816146 1305802133 /nfs/dbraw/zinc/80/21/33/1305802133.db2.gz USHHFFYZOOPEMI-CQSZACIVSA-N -1 3 335.787 3.211 20 10 EGCDHM CCCCC[C@H](NCc1cc(Br)ccc1[O-])C(=O)OC ZINC000789576984 1306187362 /nfs/dbraw/zinc/18/73/62/1306187362.db2.gz UVFASDMHCCGWOV-ZDUSSCGKSA-N -1 3 344.249 3.366 20 10 EGCDHM CN(Cc1c([O-])cccc1Cl)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789596168 1306189604 /nfs/dbraw/zinc/18/96/04/1306189604.db2.gz INSACTLDDPPVSY-KRWDZBQOSA-N -1 3 344.842 3.279 20 10 EGCDHM CCCCOc1ccc(C(=O)NCc2cc(OC)ccc2O)c([O-])c1 ZINC000789817482 1306219525 /nfs/dbraw/zinc/21/95/25/1306219525.db2.gz XCORYTHXHLXBOR-UHFFFAOYSA-N -1 3 345.395 3.215 20 10 EGCDHM O=C(N[C@H]1C[C@@H]1c1cccc(Br)c1)c1cccc(O)c1[O-] ZINC000790627540 1306364050 /nfs/dbraw/zinc/36/40/50/1306364050.db2.gz RMNYEUQQCNKQLF-OLZOCXBDSA-N -1 3 348.196 3.146 20 10 EGCDHM CC[C@@]1(O)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894503740 1308927034 /nfs/dbraw/zinc/92/70/34/1308927034.db2.gz HSGNVJNTYYKCPD-CYBMUJFWSA-N -1 3 334.641 3.155 20 10 EGCDHM CC[C@]1(O)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894503741 1308927196 /nfs/dbraw/zinc/92/71/96/1308927196.db2.gz HSGNVJNTYYKCPD-ZDUSSCGKSA-N -1 3 334.641 3.155 20 10 EGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC2(CCO2)CC1 ZINC000894670356 1309015028 /nfs/dbraw/zinc/01/50/28/1309015028.db2.gz ISFZLAYSUZRYQF-UHFFFAOYSA-N -1 3 330.197 3.049 20 10 EGCDHM Cc1ccc(F)cc1-c1nnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000792541266 1309182435 /nfs/dbraw/zinc/18/24/35/1309182435.db2.gz SQDPSFJBNMSEQE-UHFFFAOYSA-N -1 3 345.355 3.316 20 10 EGCDHM COc1c(N[C@H](C)c2ccc(F)cc2[O-])cc(Cl)cc1C(N)=O ZINC000793574091 1309407630 /nfs/dbraw/zinc/40/76/30/1309407630.db2.gz HSROWNVDIDTBLJ-MRVPVSSYSA-N -1 3 338.766 3.465 20 10 EGCDHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C2CC2)O1 ZINC000825738427 1320359659 /nfs/dbraw/zinc/35/96/59/1320359659.db2.gz NXAQOSLYYWILAT-ZUZCIYMTSA-N -1 3 326.234 3.154 20 10 EGCDHM CN(C)C(=O)OC[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000809709365 1317872146 /nfs/dbraw/zinc/87/21/46/1317872146.db2.gz QODYZBPMVCZDKX-CYBMUJFWSA-N -1 3 326.824 3.098 20 10 EGCDHM CCCN1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813684028 1318619308 /nfs/dbraw/zinc/61/93/08/1318619308.db2.gz JFBXASWUQGIMTB-CYBMUJFWSA-N -1 3 331.243 3.190 20 10 EGCDHM Cn1c(=O)c(CNCc2c([O-])ccc(Cl)c2F)cc2ccccc21 ZINC000813790332 1318632826 /nfs/dbraw/zinc/63/28/26/1318632826.db2.gz MNEPZRANOYCINB-UHFFFAOYSA-N -1 3 346.789 3.326 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cn(-c2ccccc2)nn1 ZINC000816563816 1319182381 /nfs/dbraw/zinc/18/23/81/1319182381.db2.gz KRHDKAPNYGJPOK-UHFFFAOYSA-N -1 3 332.766 3.055 20 10 EGCDHM CCCn1ncc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C1CC1 ZINC000824629603 1320271568 /nfs/dbraw/zinc/27/15/68/1320271568.db2.gz BBYYMEAVEOESAC-UHFFFAOYSA-N -1 3 346.387 3.405 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cccnc1N1CCCC1 ZINC000826899203 1320412201 /nfs/dbraw/zinc/41/22/01/1320412201.db2.gz GACXTEMZIWQPLF-UHFFFAOYSA-N -1 3 335.810 3.470 20 10 EGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000839474242 1320926541 /nfs/dbraw/zinc/92/65/41/1320926541.db2.gz LIWWLWIXZNCKIK-UHFFFAOYSA-N -1 3 340.423 3.323 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@H]1C1CCC1 ZINC000843428499 1321517761 /nfs/dbraw/zinc/51/77/61/1321517761.db2.gz JTUYUKVXHJXBOP-AWEZNQCLSA-N -1 3 326.234 3.156 20 10 EGCDHM COC(=O)[C@H]1CN(Cc2cccc(Cl)c2[O-])Cc2ccccc21 ZINC000862538275 1329493786 /nfs/dbraw/zinc/49/37/86/1329493786.db2.gz PFGVDPIIMKHTQQ-HNNXBMFYSA-N -1 3 331.799 3.318 20 10 EGCDHM C[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)CC[C@]1(C)O ZINC001233027041 1376557003 /nfs/dbraw/zinc/55/70/03/1376557003.db2.gz KQNQQFYUSYMXFA-BONVTDFDSA-N -1 3 346.240 3.277 20 10 EGCDHM CCn1nc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1C ZINC001190123358 1367178360 /nfs/dbraw/zinc/17/83/60/1367178360.db2.gz KWPOXLJLHFHROO-UHFFFAOYSA-N -1 3 344.802 3.049 20 10 EGCDHM CCc1cnccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001196147760 1368557994 /nfs/dbraw/zinc/55/79/94/1368557994.db2.gz PYNMLMHRJUSVEK-UHFFFAOYSA-N -1 3 341.798 3.481 20 10 EGCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H]1F ZINC001203664323 1370207314 /nfs/dbraw/zinc/20/73/14/1370207314.db2.gz YNHNRQMDCNMFTN-QWHCGFSZSA-N -1 3 344.814 3.093 20 10 EGCDHM C[C@@H](Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)C(F)(F)F ZINC001226380104 1375248780 /nfs/dbraw/zinc/24/87/80/1375248780.db2.gz NHHKBINXWJLRFM-MRVPVSSYSA-N -1 3 336.265 3.497 20 10 EGCDHM C[C@@H](Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O)c1ncccn1 ZINC001229187106 1375783429 /nfs/dbraw/zinc/78/34/29/1375783429.db2.gz TXSMPXIETOXNRG-LLVKDONJSA-N -1 3 346.342 3.098 20 10 EGCDHM CCOCc1noc2c1CN(Cc1cc(Cl)c(C)cc1[O-])CC2 ZINC001231869388 1376330538 /nfs/dbraw/zinc/33/05/38/1376330538.db2.gz NZHWHSXFAHHICI-UHFFFAOYSA-N -1 3 336.819 3.437 20 10 EGCDHM [O-]c1cc(O)c(CN2CCc3ncc(Cl)cc3C2)cc1Cl ZINC001232263580 1376425856 /nfs/dbraw/zinc/42/58/56/1376425856.db2.gz SBNWYYKLUYRRHH-UHFFFAOYSA-N -1 3 325.195 3.358 20 10 EGCDHM [O-]c1cc(O)c(CN2CCN(c3ccccc3F)CC2)cc1Cl ZINC001232261984 1376426492 /nfs/dbraw/zinc/42/64/92/1376426492.db2.gz WQGAWABEMRXIOV-UHFFFAOYSA-N -1 3 336.794 3.213 20 10 EGCDHM CCOC(=O)C1(CC)CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233078774 1376565042 /nfs/dbraw/zinc/56/50/42/1376565042.db2.gz JNAHPIZOQQVYII-UHFFFAOYSA-N -1 3 327.371 3.226 20 10 EGCDHM Cc1cccc(N2CCCN(Cc3ccc(F)c(F)c3[O-])CC2)n1 ZINC001233078108 1376565137 /nfs/dbraw/zinc/56/51/37/1376565137.db2.gz FTQUKLQIOBZUTE-UHFFFAOYSA-N -1 3 333.382 3.086 20 10 EGCDHM [O-]c1cccc(F)c1CN1CCCn2cnc(COCC3CC3)c2C1 ZINC001137835619 1377626186 /nfs/dbraw/zinc/62/61/86/1377626186.db2.gz LFFFAIDFULLINI-UHFFFAOYSA-N -1 3 345.418 3.060 20 10 EGCDHM Cc1ccc2c(n1)N(CC1CC1)CCN(Cc1cccc(F)c1[O-])C2 ZINC001138126771 1377681652 /nfs/dbraw/zinc/68/16/52/1377681652.db2.gz KCIFRQVRUPQARU-UHFFFAOYSA-N -1 3 341.430 3.467 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1cccc(F)c1[O-] ZINC001138131444 1377683350 /nfs/dbraw/zinc/68/33/50/1377683350.db2.gz ZTAQLJOOYYZMOX-KBPBESRZSA-N -1 3 336.407 3.115 20 10 EGCDHM COc1ccc(N2CCN(Cc3cccc(F)c3[O-])CC2)c(C)c1 ZINC001138131024 1377683461 /nfs/dbraw/zinc/68/34/61/1377683461.db2.gz NNDSMKWAAHFHDH-UHFFFAOYSA-N -1 3 330.403 3.171 20 10 EGCDHM Cc1cccnc1N1CCCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139684456 1377933843 /nfs/dbraw/zinc/93/38/43/1377933843.db2.gz VGLHYWYQRRNIQR-UHFFFAOYSA-N -1 3 333.382 3.086 20 10 EGCDHM C[C@H]1c2ncc(COCC3CC3)n2CCN1Cc1cc(F)ccc1[O-] ZINC001140053757 1377996387 /nfs/dbraw/zinc/99/63/87/1377996387.db2.gz BWZLHVZSEHFFCZ-ZDUSSCGKSA-N -1 3 345.418 3.231 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CC2(C1)C[C@H](F)CS2 ZINC001140104002 1378008876 /nfs/dbraw/zinc/00/88/76/1378008876.db2.gz YEUNLCZRWZYHAN-VIFPVBQESA-N -1 3 332.238 3.184 20 10 EGCDHM CCOC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2cn(CC)nc21 ZINC001140465580 1378068161 /nfs/dbraw/zinc/06/81/61/1378068161.db2.gz QLOPYLVPWGRRJF-HNNXBMFYSA-N -1 3 349.862 3.398 20 10 EGCDHM [O-]c1cc(Cl)ccc1CN1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001140468628 1378068950 /nfs/dbraw/zinc/06/89/50/1378068950.db2.gz RCJIUVPDKSVOKT-HNNXBMFYSA-N -1 3 330.806 3.351 20 10 EGCDHM O=C(c1ccc(F)cc1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140467572 1378069022 /nfs/dbraw/zinc/06/90/22/1378069022.db2.gz YCLMRTAGGDWOEQ-UHFFFAOYSA-N -1 3 348.805 3.143 20 10 EGCDHM CCOc1ccc(N2CCN(Cc3ccccc3C(=O)[O-])CC2)cc1 ZINC001140504125 1378075231 /nfs/dbraw/zinc/07/52/31/1378075231.db2.gz IFAXXWWNOUKWSQ-UHFFFAOYSA-N -1 3 340.423 3.106 20 10 EGCDHM CCN1CCN(Cc2cc(Cl)cc(Br)c2[O-])[C@H](C)C1 ZINC001141377264 1378314114 /nfs/dbraw/zinc/31/41/14/1378314114.db2.gz KXAQXEDKXOIUEG-SNVBAGLBSA-N -1 3 347.684 3.334 20 10 EGCDHM COc1ccc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)c(C)c1 ZINC001142531498 1378454461 /nfs/dbraw/zinc/45/44/61/1378454461.db2.gz ZKTGKSKPTWAEIF-UHFFFAOYSA-N -1 3 348.393 3.310 20 10 EGCDHM O=C(Nc1cncc(Br)c1Cl)c1cccc(O)c1[O-] ZINC001148212944 1379134090 /nfs/dbraw/zinc/13/40/90/1379134090.db2.gz QFFUPHNNQHHOOH-UHFFFAOYSA-N -1 3 343.564 3.161 20 10 EGCDHM CC[C@@H]1CO[C@](C)(CCC(C)C)N1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584905 1379217576 /nfs/dbraw/zinc/21/75/76/1379217576.db2.gz ZLUWHUQEWIQGGB-FZKQIMNGSA-N -1 3 337.416 3.207 20 10 EGCDHM O=C(c1cc(O)c([O-])c(O)c1)N(Cc1ccccn1)C1CCCCC1 ZINC001148583939 1379217625 /nfs/dbraw/zinc/21/76/25/1379217625.db2.gz IBCHWLQKGYKTEY-UHFFFAOYSA-N -1 3 342.395 3.174 20 10 EGCDHM [O-]c1c(CNc2ccc(Cl)c[n+]2[O-])cc(Cl)c2cccnc12 ZINC001157726348 1381016587 /nfs/dbraw/zinc/01/65/87/1381016587.db2.gz LTINIXMSRVFCTQ-UHFFFAOYSA-N -1 3 336.178 3.493 20 10 EGCDHM Nc1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])c1[N+](=O)[O-] ZINC001168522067 1383929031 /nfs/dbraw/zinc/92/90/31/1383929031.db2.gz OMPCMESKOLROLR-UHFFFAOYSA-N -1 3 345.746 3.091 20 10 EGCDHM O=C(/C=C/C(F)(F)F)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001179928565 1386634477 /nfs/dbraw/zinc/63/44/77/1386634477.db2.gz FCPAEUVEJYQKGP-ONEGZZNKSA-N -1 3 330.693 3.329 20 10 EGCDHM CCOCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC001321020122 1386785847 /nfs/dbraw/zinc/78/58/47/1386785847.db2.gz RIPBFAIQXSHVRX-UHFFFAOYSA-N -1 3 332.356 3.458 20 10 EGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(n2cc(Cl)cn2)CC1 ZINC001350315144 1391445998 /nfs/dbraw/zinc/44/59/98/1391445998.db2.gz BCUPOAPTVHGBCL-UHFFFAOYSA-N -1 3 327.762 3.357 20 10 EGCDHM CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1cc(Br)cc(C)c1[O-] ZINC001594979443 982769057 /nfs/dbraw/zinc/76/90/57/982769057.db2.gz QHKPNBGCDXFWQH-SNVBAGLBSA-N -1 3 330.222 3.148 20 10 EGCDHM CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(C)c1[O-] ZINC001594979443 982769061 /nfs/dbraw/zinc/76/90/61/982769061.db2.gz QHKPNBGCDXFWQH-SNVBAGLBSA-N -1 3 330.222 3.148 20 10 EGCDHM CCN(Cc1ccccc1)c1ccc(CN[C@H](CF)C(=O)[O-])cc1 ZINC001596371619 983871343 /nfs/dbraw/zinc/87/13/43/983871343.db2.gz STXFEFFKXYHXRF-GOSISDBHSA-N -1 3 330.403 3.225 20 10 EGCDHM CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001597514060 988117176 /nfs/dbraw/zinc/11/71/76/988117176.db2.gz IUIPOTYAXXCMQL-KPZWWZAWSA-N -1 3 329.396 3.037 20 10 EGCDHM CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001597514163 988117260 /nfs/dbraw/zinc/11/72/60/988117260.db2.gz IUIPOTYAXXCMQL-XIKOKIGWSA-N -1 3 329.396 3.037 20 10 EGCDHM Cn1c2ccc(F)cc2c(C[N@H+](C)Cc2ccccc2[O-])c1C(=O)[O-] ZINC001598530632 992776123 /nfs/dbraw/zinc/77/61/23/992776123.db2.gz OYBDJXODIGFXRV-UHFFFAOYSA-N -1 3 342.370 3.353 20 10 EGCDHM Cn1c2ccc(F)cc2c(C[N@@H+](C)Cc2ccccc2[O-])c1C(=O)[O-] ZINC001598530632 992776128 /nfs/dbraw/zinc/77/61/28/992776128.db2.gz OYBDJXODIGFXRV-UHFFFAOYSA-N -1 3 342.370 3.353 20 10 EGCDHM COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599600784 993812685 /nfs/dbraw/zinc/81/26/85/993812685.db2.gz NBRDEFHYIXOYPA-QWHCGFSZSA-N -1 3 345.395 3.217 20 10 EGCDHM C[C@@H]([NH2+]C[C@H](C)N(C)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240325 994428071 /nfs/dbraw/zinc/42/80/71/994428071.db2.gz MYPOCTVDHZKJDE-UONOGXRCSA-N -1 3 328.412 3.266 20 10 EGCDHM COc1ccccc1-c1nnc(CN(C)Cc2ccccc2[O-])o1 ZINC000119531859 454202640 /nfs/dbraw/zinc/20/26/40/454202640.db2.gz MWGILVGIMYZOOF-UHFFFAOYSA-N -1 3 325.368 3.083 20 10 EGCDHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093559665 454720950 /nfs/dbraw/zinc/72/09/50/454720950.db2.gz ZDSGYJSRZXCRKZ-GJZGRUSLSA-N -1 3 345.464 3.067 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cccn1C ZINC000137253344 454774384 /nfs/dbraw/zinc/77/43/84/454774384.db2.gz NDQLLKCTLQNUNP-UHFFFAOYSA-N -1 3 337.217 3.156 20 10 EGCDHM CC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])cc1 ZINC000109769968 454835387 /nfs/dbraw/zinc/83/53/87/454835387.db2.gz CYLLBEOBHVQFQU-ZDUSSCGKSA-N -1 3 326.396 3.054 20 10 EGCDHM CC(=O)c1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000109770204 454836195 /nfs/dbraw/zinc/83/61/95/454836195.db2.gz KMHUKDBNJTXQQF-ZDUSSCGKSA-N -1 3 326.396 3.054 20 10 EGCDHM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000177666443 454890038 /nfs/dbraw/zinc/89/00/38/454890038.db2.gz AGYBYJRKKMPITB-MRXNPFEDSA-N -1 3 327.380 3.392 20 10 EGCDHM CCCOc1ccc(CN[C@H](C(=O)OC)c2ccccc2)c([O-])c1 ZINC000154481636 454901024 /nfs/dbraw/zinc/90/10/24/454901024.db2.gz MKMFJSWYJABLJH-SFHVURJKSA-N -1 3 329.396 3.185 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000179907910 455097220 /nfs/dbraw/zinc/09/72/20/455097220.db2.gz RVBYVRXHYBDMRR-OAHLLOKOSA-N -1 3 325.836 3.206 20 10 EGCDHM CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186030449 455679878 /nfs/dbraw/zinc/67/98/78/455679878.db2.gz ZYSPWJOYDMNNBK-RKDXNWHRSA-N -1 3 340.272 3.173 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@H]3CCCCN3c3ccccc32)c([O-])c1O ZINC000294428152 455814548 /nfs/dbraw/zinc/81/45/48/455814548.db2.gz UYQWUCXRLHSRKN-CQSZACIVSA-N -1 3 338.407 3.426 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000285327475 455823442 /nfs/dbraw/zinc/82/34/42/455823442.db2.gz XGSWJQGKNJLUDB-JSGCOSHPSA-N -1 3 326.780 3.097 20 10 EGCDHM CCCN(Cc1ccccc1O)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000269889025 455854312 /nfs/dbraw/zinc/85/43/12/455854312.db2.gz ATJHEQSYSVBVJJ-UHFFFAOYSA-N -1 3 345.395 3.167 20 10 EGCDHM Cc1cc(Br)cc(CN[C@@H](CCO)c2ccco2)c1[O-] ZINC000187529770 455921655 /nfs/dbraw/zinc/92/16/55/455921655.db2.gz KRIQGAHUKFAQME-ZDUSSCGKSA-N -1 3 340.217 3.269 20 10 EGCDHM Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1[O-] ZINC000272497038 455970584 /nfs/dbraw/zinc/97/05/84/455970584.db2.gz KZRJKRCYDMURBW-KRWDZBQOSA-N -1 3 341.407 3.228 20 10 EGCDHM COCCCOc1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272765323 456064183 /nfs/dbraw/zinc/06/41/83/456064183.db2.gz LZWRYZAHETZNJW-UHFFFAOYSA-N -1 3 331.368 3.074 20 10 EGCDHM C[C@H](NCc1ccncc1OC[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000287504421 456071183 /nfs/dbraw/zinc/07/11/83/456071183.db2.gz YSFFVWQMSVRYNE-UONOGXRCSA-N -1 3 346.402 3.192 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000297290570 456175271 /nfs/dbraw/zinc/17/52/71/456175271.db2.gz LTPXVRYHYYVLAO-RYUDHWBXSA-N -1 3 344.367 3.499 20 10 EGCDHM CNC(=O)COc1ccc(N[C@@H](C)c2cc(F)ccc2[O-])c(C)c1 ZINC000281279683 456187500 /nfs/dbraw/zinc/18/75/00/456187500.db2.gz XJCYMXIVOQWWHP-LBPRGKRZSA-N -1 3 332.375 3.138 20 10 EGCDHM COCCOc1ccccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273428348 456230319 /nfs/dbraw/zinc/23/03/19/456230319.db2.gz UVSYKDCZEAOZAY-CYBMUJFWSA-N -1 3 346.383 3.176 20 10 EGCDHM C[C@@H](NCc1ccc2c(c1)OCCCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273466031 456233732 /nfs/dbraw/zinc/23/37/32/456233732.db2.gz DSCWSRXGLCOBAS-GFCCVEGCSA-N -1 3 344.367 3.313 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OC)cc2OC)c1 ZINC000273519061 456236601 /nfs/dbraw/zinc/23/66/01/456236601.db2.gz SZGRTXIZFPKSRG-LLVKDONJSA-N -1 3 331.368 3.369 20 10 EGCDHM COCc1cc(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])ccc1F ZINC000273586051 456239469 /nfs/dbraw/zinc/23/94/69/456239469.db2.gz NTWYCGCKGMUTCV-GFCCVEGCSA-N -1 3 347.386 3.315 20 10 EGCDHM [O-]c1c(Cl)cccc1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000290262555 456276325 /nfs/dbraw/zinc/27/63/25/456276325.db2.gz WXEXJVMIWFDBDB-ZDUSSCGKSA-N -1 3 348.830 3.146 20 10 EGCDHM CC(C)S(=O)(=O)CCN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000290392850 456314947 /nfs/dbraw/zinc/31/49/47/456314947.db2.gz SIHDQMJVOCQVOX-VIFPVBQESA-N -1 3 340.272 3.173 20 10 EGCDHM CCO[C@@H]1C[C@H](NCc2c([O-])ccc(Cl)c2F)[C@@]12CCCO2 ZINC000364583405 457648227 /nfs/dbraw/zinc/64/82/27/457648227.db2.gz SQHAZBWYCXEYDB-LZWOXQAQSA-N -1 3 329.799 3.001 20 10 EGCDHM COc1cccc(CC2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000368449541 458039013 /nfs/dbraw/zinc/03/90/13/458039013.db2.gz MHWQWKOIKMJAKP-UHFFFAOYSA-N -1 3 341.407 3.201 20 10 EGCDHM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000041371768 525085750 /nfs/dbraw/zinc/08/57/50/525085750.db2.gz ZXSPKLGPGGYVLO-UHFFFAOYSA-N -1 3 332.425 3.096 20 10 EGCDHM O=C(COC(=O)c1cc([O-])cs1)Nc1ccc(C(F)(F)F)cc1 ZINC000731911990 575218708 /nfs/dbraw/zinc/21/87/08/575218708.db2.gz PGICRHZJUJFZEU-UHFFFAOYSA-N -1 3 345.298 3.268 20 10 EGCDHM COc1ccc(OC2CCN(C(=O)c3cc([O-])cs3)CC2)cc1 ZINC000732272752 575251760 /nfs/dbraw/zinc/25/17/60/575251760.db2.gz ACDBLRDQAVRBLN-UHFFFAOYSA-N -1 3 333.409 3.146 20 10 EGCDHM COC(=O)CSCc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732286155 575255288 /nfs/dbraw/zinc/25/52/88/575255288.db2.gz BKDHYRKZFWTCFU-UHFFFAOYSA-N -1 3 337.422 3.112 20 10 EGCDHM COC(=O)c1sc2ccccc2c1CNC(=O)c1cc([O-])cs1 ZINC000732286410 575255339 /nfs/dbraw/zinc/25/53/39/575255339.db2.gz SUCAAGMTYPVDHK-UHFFFAOYSA-N -1 3 347.417 3.385 20 10 EGCDHM CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)cc1 ZINC000732354439 575261613 /nfs/dbraw/zinc/26/16/13/575261613.db2.gz MDWHJYUXRZHTCO-VIFPVBQESA-N -1 3 337.422 3.360 20 10 EGCDHM CC(C)[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NC1CCCCC1 ZINC000732353483 575261696 /nfs/dbraw/zinc/26/16/96/575261696.db2.gz QZCREHAIMDVZRO-CQSZACIVSA-N -1 3 325.430 3.084 20 10 EGCDHM C[C@H](NC(=O)COC(=O)c1cc([O-])cs1)c1ccccc1Cl ZINC000732354681 575261969 /nfs/dbraw/zinc/26/19/69/575261969.db2.gz QDAZUNNBXSDMAM-VIFPVBQESA-N -1 3 339.800 3.141 20 10 EGCDHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1ccccc1F ZINC000742655150 576792771 /nfs/dbraw/zinc/79/27/71/576792771.db2.gz ZNPLYXZYXXACKZ-UHFFFAOYSA-N -1 3 348.443 3.295 20 10 EGCDHM O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000833315038 601954505 /nfs/dbraw/zinc/95/45/05/601954505.db2.gz NGCIMRJKSKLPIA-CQSZACIVSA-N -1 3 347.436 3.333 20 10 EGCDHM O=C([O-])c1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000833315038 601954506 /nfs/dbraw/zinc/95/45/06/601954506.db2.gz NGCIMRJKSKLPIA-CQSZACIVSA-N -1 3 347.436 3.333 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1[O-] ZINC000088606489 1292753921 /nfs/dbraw/zinc/75/39/21/1292753921.db2.gz WJQQEIRIHPHCSV-UHFFFAOYSA-N -1 3 344.342 3.200 20 10 EGCDHM CN(Cc1cccc(Br)c1)C(=O)c1cccc(O)c1[O-] ZINC000126175450 1293526349 /nfs/dbraw/zinc/52/63/49/1293526349.db2.gz YAOQBXBKNZHGMA-UHFFFAOYSA-N -1 3 336.185 3.133 20 10 EGCDHM COc1ccc(C[C@@H](C)CN(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000193149721 1295837047 /nfs/dbraw/zinc/83/70/47/1295837047.db2.gz FOMZFRXZBALUSA-CYBMUJFWSA-N -1 3 329.396 3.057 20 10 EGCDHM CO[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])[C@H](C)C1 ZINC000715739953 1298285079 /nfs/dbraw/zinc/28/50/79/1298285079.db2.gz XSXHDAGYGKIGIN-SKDRFNHKSA-N -1 3 332.213 3.293 20 10 EGCDHM Cc1cc(CNCc2cc(Cl)cc(Br)c2[O-])[nH]n1 ZINC000716450314 1298299162 /nfs/dbraw/zinc/29/91/62/1298299162.db2.gz GVLBAJJSSDOJMA-UHFFFAOYSA-N -1 3 330.613 3.129 20 10 EGCDHM [O-]c1cccc(Br)c1CNCc1nc2c(s1)CCC2 ZINC000719527325 1298319557 /nfs/dbraw/zinc/31/95/57/1298319557.db2.gz GZWWBIHTWRECOR-UHFFFAOYSA-N -1 3 339.258 3.390 20 10 EGCDHM CN1c2ccccc2C(=O)N[C@@H]1c1c([O-])cccc1Br ZINC000877842923 1299606177 /nfs/dbraw/zinc/60/61/77/1299606177.db2.gz LUPGHPFNQDNYJX-AWEZNQCLSA-N -1 3 333.185 3.033 20 10 EGCDHM Cc1cc(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])on1 ZINC000756544522 1300518477 /nfs/dbraw/zinc/51/84/77/1300518477.db2.gz JRNKJUSBSKSBMC-QMMMGPOBSA-N -1 3 329.169 3.441 20 10 EGCDHM O=c1ccnc(C=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[n-]1 ZINC000764436882 1302062592 /nfs/dbraw/zinc/06/25/92/1302062592.db2.gz WMYWVFPZOSMBHH-ALCCZGGFSA-N -1 3 326.356 3.251 20 10 EGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000882905186 1302156600 /nfs/dbraw/zinc/15/66/00/1302156600.db2.gz VWPNMCVFIVNPOK-NSHDSACASA-N -1 3 325.277 3.214 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccccc2SC(=O)N(C)C)c([O-])c1O ZINC000770485103 1303275525 /nfs/dbraw/zinc/27/55/25/1303275525.db2.gz JIZZSMKBHFDHFI-UHFFFAOYSA-N -1 3 346.408 3.432 20 10 EGCDHM C[C@H](N[C@@H](CC(=O)N(C)C)c1ccccc1)c1c([O-])cccc1F ZINC000886511602 1303481235 /nfs/dbraw/zinc/48/12/35/1303481235.db2.gz YIYIAKNCPBZEAU-BBRMVZONSA-N -1 3 330.403 3.402 20 10 EGCDHM C[C@H](N[C@H](CC(=O)N(C)C)c1ccccc1)c1c([O-])cccc1F ZINC000886511605 1303481312 /nfs/dbraw/zinc/48/13/12/1303481312.db2.gz YIYIAKNCPBZEAU-XJKSGUPXSA-N -1 3 330.403 3.402 20 10 EGCDHM CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c2ccccc2O1 ZINC000775079818 1303904461 /nfs/dbraw/zinc/90/44/61/1303904461.db2.gz INHZZIKOXNRBID-ZDUSSCGKSA-N -1 3 344.367 3.487 20 10 EGCDHM C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cccc(F)c1[O-] ZINC000775968427 1304071428 /nfs/dbraw/zinc/07/14/28/1304071428.db2.gz IGGZMOVXYQVDDC-STQMWFEESA-N -1 3 338.423 3.361 20 10 EGCDHM Cc1ccc(C(=O)Nc2nnc(/C=C\c3ccco3)s2)c([O-])c1O ZINC000781000903 1304759071 /nfs/dbraw/zinc/75/90/71/1304759071.db2.gz KPSWNXVXGZALKY-ALCCZGGFSA-N -1 3 343.364 3.273 20 10 EGCDHM O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cccc(O)c1[O-] ZINC000790511583 1306339840 /nfs/dbraw/zinc/33/98/40/1306339840.db2.gz HEHZSVVQOCCITE-UHFFFAOYSA-N -1 3 346.770 3.130 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@H](CO)CC1 ZINC000894866288 1309107252 /nfs/dbraw/zinc/10/72/52/1309107252.db2.gz NSGAVLVPYQEGAS-JTQLQIEISA-N -1 3 348.668 3.403 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000792174517 1309135980 /nfs/dbraw/zinc/13/59/80/1309135980.db2.gz URUIHWTWADDFCK-KRWDZBQOSA-N -1 3 339.769 3.417 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN(C)Cc2cccc(=O)[nH]2)c1 ZINC000897391964 1310319115 /nfs/dbraw/zinc/31/91/15/1310319115.db2.gz HPINGTKPGHQRJX-UHFFFAOYSA-N -1 3 337.217 3.196 20 10 EGCDHM COC(=O)CN(CCSC(C)C)Cc1cc(Cl)ccc1[O-] ZINC000801523316 1310952124 /nfs/dbraw/zinc/95/21/24/1310952124.db2.gz ONSWCAVSIKURKL-UHFFFAOYSA-N -1 3 331.865 3.162 20 10 EGCDHM Cc1cc([O-])c(CN2CCNC(=O)C[C@H]2c2ccccc2)cc1Cl ZINC000824596615 1320268979 /nfs/dbraw/zinc/26/89/79/1320268979.db2.gz IYLXIGCROZNCDE-KRWDZBQOSA-N -1 3 344.842 3.417 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCc2ccc(Br)cc2C1 ZINC000803544973 1317138351 /nfs/dbraw/zinc/13/83/51/1317138351.db2.gz OCIIETOWFNQBAC-UHFFFAOYSA-N -1 3 348.196 3.059 20 10 EGCDHM Cc1ccc(C(=O)N(C)c2ccc3c(C)cc(=O)oc3c2)c([O-])c1O ZINC000805351049 1317348647 /nfs/dbraw/zinc/34/86/47/1317348647.db2.gz BWJIFOSUDCDGGD-UHFFFAOYSA-N -1 3 339.347 3.098 20 10 EGCDHM COc1ccc([C@@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])cc1Cl ZINC000901845816 1317485194 /nfs/dbraw/zinc/48/51/94/1317485194.db2.gz ASWALFQYTLKUGU-QGZVFWFLSA-N -1 3 347.798 3.199 20 10 EGCDHM CCOC(=O)c1ccc(CNCc2cc(Cl)cc(F)c2[O-])o1 ZINC000809743555 1317887247 /nfs/dbraw/zinc/88/72/47/1317887247.db2.gz VEJBBCLVRCCBCH-UHFFFAOYSA-N -1 3 327.739 3.244 20 10 EGCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cnn1-c1ccc(Cl)cc1 ZINC000811583338 1318205147 /nfs/dbraw/zinc/20/51/47/1318205147.db2.gz ZXEGNBWZPOGURR-UHFFFAOYSA-N -1 3 343.770 3.498 20 10 EGCDHM C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1[O-])c1nnnn1C1CC1 ZINC000815620560 1319029929 /nfs/dbraw/zinc/02/99/29/1319029929.db2.gz URTQJGDGUCYBAO-RKDXNWHRSA-N -1 3 341.337 3.144 20 10 EGCDHM O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1cccc(O)c1[O-] ZINC000816791724 1319222428 /nfs/dbraw/zinc/22/24/28/1319222428.db2.gz BPOVPOSMRUYBHU-MOPGFXCFSA-N -1 3 349.386 3.303 20 10 EGCDHM C[C@H](NCc1ccc(Br)cc1[O-])C(=O)OC1CCCC1 ZINC000825665725 1320353446 /nfs/dbraw/zinc/35/34/46/1320353446.db2.gz BXXJSGPEYVUTHM-JTQLQIEISA-N -1 3 342.233 3.119 20 10 EGCDHM COC(=O)[C@@H](C)N(Cc1ccc(Br)cc1[O-])C1CCC1 ZINC000825685682 1320355286 /nfs/dbraw/zinc/35/52/86/1320355286.db2.gz JBNZJENYMOJIIZ-SNVBAGLBSA-N -1 3 342.233 3.071 20 10 EGCDHM C[C@@H](N[C@@H](C)c1ccc(Br)cc1[O-])c1csnn1 ZINC000840886412 1321171150 /nfs/dbraw/zinc/17/11/50/1321171150.db2.gz VNUZMUXIYJFAPX-JGVFFNPUSA-N -1 3 328.235 3.418 20 10 EGCDHM CN(C)c1ccnc(CNCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000922478053 1322537630 /nfs/dbraw/zinc/53/76/30/1322537630.db2.gz JFSCANKKHLPWAB-UHFFFAOYSA-N -1 3 326.227 3.450 20 10 EGCDHM C[C@]1(CO)CCCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233028166 1376557557 /nfs/dbraw/zinc/55/75/57/1376557557.db2.gz JITVXZUPYCYDML-HNNXBMFYSA-N -1 3 346.240 3.278 20 10 EGCDHM O=S(=O)(Cc1cc(F)ccc1F)Nc1ccc([O-])c(Cl)c1 ZINC001189688770 1367086051 /nfs/dbraw/zinc/08/60/51/1367086051.db2.gz UUDNQTQDXRSOGE-UHFFFAOYSA-N -1 3 333.743 3.266 20 10 EGCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C(C)=O)c2)c(C)c1 ZINC001196880730 1368705582 /nfs/dbraw/zinc/70/55/82/1368705582.db2.gz QEZVIJRPZXJRTA-UHFFFAOYSA-N -1 3 349.408 3.021 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1c1cccnc1 ZINC001203650635 1370201147 /nfs/dbraw/zinc/20/11/47/1370201147.db2.gz ZCFSYEWIHWIVDL-OAHLLOKOSA-N -1 3 349.228 3.123 20 10 EGCDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN1Cc1cc(Cl)ccc1[O-] ZINC001203664803 1370209040 /nfs/dbraw/zinc/20/90/40/1370209040.db2.gz WQXKAANNSCPFEG-AWEZNQCLSA-N -1 3 326.824 3.444 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC001215325205 1373197991 /nfs/dbraw/zinc/19/79/91/1373197991.db2.gz GQOISAQPORZALJ-UHFFFAOYSA-N -1 3 339.351 3.121 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc(C2CC2)n[nH]1 ZINC001188398435 1388302812 /nfs/dbraw/zinc/30/28/12/1388302812.db2.gz HWNTYVPHPRRONF-UHFFFAOYSA-N -1 3 342.786 3.124 20 10 EGCDHM Cc1cc(OCCOC(C)C)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542235 1375853331 /nfs/dbraw/zinc/85/33/31/1375853331.db2.gz KMGAGWJRUYSVSZ-UHFFFAOYSA-N -1 3 340.375 3.280 20 10 EGCDHM CCOC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2c1cnn2C ZINC001231867183 1376329329 /nfs/dbraw/zinc/32/93/29/1376329329.db2.gz IGJYCGAIEVYYRR-CQSZACIVSA-N -1 3 349.862 3.223 20 10 EGCDHM CCOC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2cnn(C)c21 ZINC001231867770 1376331142 /nfs/dbraw/zinc/33/11/42/1376331142.db2.gz PMVDPWAIBJTIGB-OAHLLOKOSA-N -1 3 349.862 3.223 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001231910886 1376345820 /nfs/dbraw/zinc/34/58/20/1376345820.db2.gz VEZWMOSWOMDCBZ-YPMHNXCESA-N -1 3 341.732 3.273 20 10 EGCDHM Cc1nccnc1O[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231913943 1376348718 /nfs/dbraw/zinc/34/87/18/1376348718.db2.gz VCCRRFKAOWQYKI-CQSZACIVSA-N -1 3 333.819 3.187 20 10 EGCDHM COc1cc([O-])c(CN2CCCC[C@H]2c2noc(C)n2)cc1Cl ZINC001232269496 1376427245 /nfs/dbraw/zinc/42/72/45/1376427245.db2.gz CCJIAXVYARRJPL-ZDUSSCGKSA-N -1 3 337.807 3.473 20 10 EGCDHM [O-]c1c(CN2CCN(CCc3ccccc3)CC2)ccc(F)c1F ZINC001233077354 1376562735 /nfs/dbraw/zinc/56/27/35/1376562735.db2.gz KVTICAGNAZDACU-UHFFFAOYSA-N -1 3 332.394 3.031 20 10 EGCDHM CCN(CCNC(=O)OC(C)(C)C)Cc1c([O-])ccc(F)c1F ZINC001233335684 1376619446 /nfs/dbraw/zinc/61/94/46/1376619446.db2.gz GYRWNKNUYNMEJS-UHFFFAOYSA-N -1 3 330.375 3.017 20 10 EGCDHM [O-]c1c(CN2CC[C@@](CO)(C(F)(F)F)C2)cccc1C(F)(F)F ZINC001233415836 1376640704 /nfs/dbraw/zinc/64/07/04/1376640704.db2.gz JZMHCYCLZGJCFV-GFCCVEGCSA-N -1 3 343.267 3.158 20 10 EGCDHM Cc1cc([O-])c(CN2CCc3cnccc3C2)cc1Br ZINC001237676201 1376983540 /nfs/dbraw/zinc/98/35/40/1376983540.db2.gz GVCVZDRXWZIAPU-UHFFFAOYSA-N -1 3 333.229 3.416 20 10 EGCDHM Cc1ccc2c(n1)N(CC1CC1)CCN(Cc1c([O-])cccc1F)C2 ZINC001137835424 1377625755 /nfs/dbraw/zinc/62/57/55/1377625755.db2.gz HBSTWIHLONWUED-UHFFFAOYSA-N -1 3 341.430 3.467 20 10 EGCDHM CCOc1ccc(N2CCN(Cc3c([O-])cccc3F)CC2)cc1 ZINC001137841771 1377628014 /nfs/dbraw/zinc/62/80/14/1377628014.db2.gz UIIOHGDPJHTLDP-UHFFFAOYSA-N -1 3 330.403 3.252 20 10 EGCDHM C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1cccc(F)c1[O-] ZINC001138128547 1377681742 /nfs/dbraw/zinc/68/17/42/1377681742.db2.gz QRYKTFUHUSPZSJ-JSGCOSHPSA-N -1 3 338.423 3.409 20 10 EGCDHM COc1cccc(CN2CCN(Cc3ccc(Cl)cc3[O-])CC2)c1 ZINC001140465832 1378067742 /nfs/dbraw/zinc/06/77/42/1378067742.db2.gz ROQCDPHSMSORHB-UHFFFAOYSA-N -1 3 346.858 3.372 20 10 EGCDHM [O-]c1cc(Cl)ccc1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC001140465604 1378067962 /nfs/dbraw/zinc/06/79/62/1378067962.db2.gz OCCMOEJZGNOIKX-UHFFFAOYSA-N -1 3 338.238 3.416 20 10 EGCDHM [O-]c1cc(Cl)ccc1CN1CCN(CCOc2ccccc2)CC1 ZINC001140467252 1378069162 /nfs/dbraw/zinc/06/91/62/1378069162.db2.gz RXIGWGWWPKEJIV-UHFFFAOYSA-N -1 3 346.858 3.242 20 10 EGCDHM CCCc1noc([C@H]2CCCN(Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140584353 1378090232 /nfs/dbraw/zinc/09/02/32/1378090232.db2.gz OGFVQXNAJUICDF-NSHDSACASA-N -1 3 337.370 3.386 20 10 EGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC[C@H]1O ZINC001141367816 1378311785 /nfs/dbraw/zinc/31/17/85/1378311785.db2.gz RQUXRGIQIYFTHO-NOZJJQNGSA-N -1 3 348.668 3.401 20 10 EGCDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001142509186 1378451095 /nfs/dbraw/zinc/45/10/95/1378451095.db2.gz ZTHYWQUIHGKAFZ-YMTOWFKASA-N -1 3 339.304 3.196 20 10 EGCDHM Cc1ccnc(OC2CCN(Cc3cc(F)c(F)cc3[O-])CC2)c1 ZINC001142530757 1378453916 /nfs/dbraw/zinc/45/39/16/1378453916.db2.gz LFONIXGMPBOAKH-UHFFFAOYSA-N -1 3 334.366 3.417 20 10 EGCDHM C[C@@H]1OC2(CCN(C(=O)c3cccc(O)c3[O-])CC2)c2ccccc21 ZINC001148218473 1379134601 /nfs/dbraw/zinc/13/46/01/1379134601.db2.gz DVRBWCMNLHNJJP-ZDUSSCGKSA-N -1 3 339.391 3.321 20 10 EGCDHM CN(C)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001157724271 1381015010 /nfs/dbraw/zinc/01/50/10/1381015010.db2.gz KIJUIWBEFJGTDD-UHFFFAOYSA-N -1 3 329.791 3.062 20 10 EGCDHM COc1ncnc(NCc2cc(Cl)c3cccnc3c2[O-])c1C ZINC001157726122 1381016279 /nfs/dbraw/zinc/01/62/79/1381016279.db2.gz FNYHGDBPUZRWCS-UHFFFAOYSA-N -1 3 330.775 3.313 20 10 EGCDHM COc1c(C)ncnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168523076 1383929962 /nfs/dbraw/zinc/92/99/62/1383929962.db2.gz YXMLJSZZNGSICB-UHFFFAOYSA-N -1 3 330.775 3.313 20 10 EGCDHM COCc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168527155 1383930134 /nfs/dbraw/zinc/93/01/34/1383930134.db2.gz DNZCROZNMCRTOZ-UHFFFAOYSA-N -1 3 330.775 3.142 20 10 EGCDHM CC(C)(C)n1c(NC(=O)c2cccc(O)c2[O-])nc2ccccc21 ZINC001321024203 1386786513 /nfs/dbraw/zinc/78/65/13/1386786513.db2.gz KQVRKMUOFSAFOP-UHFFFAOYSA-N -1 3 325.368 3.455 20 10 EGCDHM CCCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1[O-] ZINC000825285324 1425998634 /nfs/dbraw/zinc/99/86/34/1425998634.db2.gz QNIPGVMCARTNAO-UHFFFAOYSA-N -1 3 337.427 3.375 20 10 EGCDHM CCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1[O-] ZINC000825285324 1425998639 /nfs/dbraw/zinc/99/86/39/1425998639.db2.gz QNIPGVMCARTNAO-UHFFFAOYSA-N -1 3 337.427 3.375 20 10 EGCDHM C[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@@H]1C(=O)[O-] ZINC000859816141 955913586 /nfs/dbraw/zinc/91/35/86/955913586.db2.gz XXOSWBAAONDWDZ-FZMZJTMJSA-N -1 3 344.377 3.314 20 10 EGCDHM C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@@H]1C(=O)[O-] ZINC000859816142 955914215 /nfs/dbraw/zinc/91/42/15/955914215.db2.gz XXOSWBAAONDWDZ-RISCZKNCSA-N -1 3 344.377 3.314 20 10 EGCDHM Cn1nc(C(=O)[O-])cc1C[N@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000874037122 969362897 /nfs/dbraw/zinc/36/28/97/969362897.db2.gz RABDLBMEIHRJRW-UHFFFAOYSA-N -1 3 343.427 3.159 20 10 EGCDHM Cn1nc(C(=O)[O-])cc1C[N@@H+](Cc1ccccc1[O-])C1CCCCC1 ZINC000874037122 969362901 /nfs/dbraw/zinc/36/29/01/969362901.db2.gz RABDLBMEIHRJRW-UHFFFAOYSA-N -1 3 343.427 3.159 20 10 EGCDHM Cc1cc(Cl)cc(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)c1[O-] ZINC000844938893 979403084 /nfs/dbraw/zinc/40/30/84/979403084.db2.gz LZJYOMOJHGMYCA-GOSISDBHSA-N -1 3 333.815 3.486 20 10 EGCDHM C[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252150 994503919 /nfs/dbraw/zinc/50/39/19/994503919.db2.gz PFEFLURXXLXVMT-ZDUSSCGKSA-N -1 3 326.396 3.258 20 10 EGCDHM COc1cc(C)c(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC001599391444 997044385 /nfs/dbraw/zinc/04/43/85/997044385.db2.gz XZJFRURMFWJXNL-UHFFFAOYSA-N -1 3 329.396 3.186 20 10 EGCDHM COc1cc(C)c(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC001599391444 997044400 /nfs/dbraw/zinc/04/44/00/997044400.db2.gz XZJFRURMFWJXNL-UHFFFAOYSA-N -1 3 329.396 3.186 20 10 EGCDHM CC[C@@H](NCc1nncn1CC)c1cc(Br)ccc1[O-] ZINC000230971641 456141905 /nfs/dbraw/zinc/14/19/05/456141905.db2.gz GGPFLEPDSYWGAS-GFCCVEGCSA-N -1 3 339.237 3.007 20 10 EGCDHM Cc1occc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158021715 455260640 /nfs/dbraw/zinc/26/06/40/455260640.db2.gz UBDKCHNSANVAMY-OAHLLOKOSA-N -1 3 348.830 3.341 20 10 EGCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccco1 ZINC000158062832 455265439 /nfs/dbraw/zinc/26/54/39/455265439.db2.gz AFLNWTSFORRUJB-CQSZACIVSA-N -1 3 334.803 3.033 20 10 EGCDHM C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(C)Cc1ccccc1[O-] ZINC000109772122 454835116 /nfs/dbraw/zinc/83/51/16/454835116.db2.gz UEZAYZBAKJSCCL-ZDUSSCGKSA-N -1 3 332.831 3.182 20 10 EGCDHM COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000182321453 455489288 /nfs/dbraw/zinc/48/92/88/455489288.db2.gz WCEVNOPXACGDHY-HNNXBMFYSA-N -1 3 327.380 3.392 20 10 EGCDHM CC(C)n1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000179570616 455060107 /nfs/dbraw/zinc/06/01/07/455060107.db2.gz OEQLHCASNRMUCN-SFHVURJKSA-N -1 3 329.444 3.351 20 10 EGCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179669663 455066274 /nfs/dbraw/zinc/06/62/74/455066274.db2.gz HYHZFUHYKORBQY-GFCCVEGCSA-N -1 3 326.824 3.145 20 10 EGCDHM O=C(Oc1ccccc1)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180057556 455124472 /nfs/dbraw/zinc/12/44/72/455124472.db2.gz MQYNEFZQHNVFBU-UHFFFAOYSA-N -1 3 344.386 3.238 20 10 EGCDHM Cc1ccc(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c([O-])c1O ZINC000182530674 455533975 /nfs/dbraw/zinc/53/39/75/455533975.db2.gz ATYPHCSDKUOGAS-LLVKDONJSA-N -1 3 345.399 3.328 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)c([O-])c1O ZINC000182531661 455534966 /nfs/dbraw/zinc/53/49/66/455534966.db2.gz CDJZDXYYMVXEAL-XJKSGUPXSA-N -1 3 327.380 3.008 20 10 EGCDHM CN(C)c1ccccc1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000267883393 455560486 /nfs/dbraw/zinc/56/04/86/455560486.db2.gz PQINXLAMKGCMQV-UHFFFAOYSA-N -1 3 335.791 3.310 20 10 EGCDHM COc1c([O-])c(CN2CCc3cccc(F)c3C2)ccc1[N+](=O)[O-] ZINC000278176362 455777854 /nfs/dbraw/zinc/77/78/54/455777854.db2.gz GLDPNZGRASYBOY-UHFFFAOYSA-N -1 3 332.331 3.006 20 10 EGCDHM CC(=O)N(c1ccc(NC(=O)c2cccc(O)c2[O-])cc1)[C@@H]1C[C@H]1C ZINC000294079314 455804739 /nfs/dbraw/zinc/80/47/39/455804739.db2.gz HSQDWUXFNCLPKB-BDJLRTHQSA-N -1 3 340.379 3.111 20 10 EGCDHM CC(=O)N(c1ccc(NC(=O)c2cccc(O)c2[O-])cc1)[C@H]1C[C@@H]1C ZINC000294079326 455804793 /nfs/dbraw/zinc/80/47/93/455804793.db2.gz HSQDWUXFNCLPKB-ZBEGNZNMSA-N -1 3 340.379 3.111 20 10 EGCDHM [O-]c1ccccc1CN(Cc1cc(F)ncc1F)C[C@H]1CCCO1 ZINC000294622628 455821955 /nfs/dbraw/zinc/82/19/55/455821955.db2.gz YRPSHJMQFYLLFU-OAHLLOKOSA-N -1 3 334.366 3.247 20 10 EGCDHM CC[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccc(F)cc1[O-] ZINC000285488246 455856054 /nfs/dbraw/zinc/85/60/54/455856054.db2.gz AFFKJWUZLWXMJM-AWEZNQCLSA-N -1 3 330.359 3.450 20 10 EGCDHM CC(C)c1cc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)no1 ZINC000286101008 455977744 /nfs/dbraw/zinc/97/77/44/455977744.db2.gz VMFUPLBMPXHDMG-UHFFFAOYSA-N -1 3 349.774 3.126 20 10 EGCDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271173935 456155110 /nfs/dbraw/zinc/15/51/10/456155110.db2.gz FLCVMAYYDRJQDG-WBPRFABPSA-N -1 3 329.465 3.401 20 10 EGCDHM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCc1cc(F)ccc1[O-] ZINC000281218889 456168481 /nfs/dbraw/zinc/16/84/81/456168481.db2.gz KGSAXZZNEYDZNT-SFHVURJKSA-N -1 3 344.386 3.061 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](n3cc(C)cn3)C2)c1[O-] ZINC000289950396 456193393 /nfs/dbraw/zinc/19/33/93/456193393.db2.gz QCUUOLABCJPDQY-HNNXBMFYSA-N -1 3 333.819 3.200 20 10 EGCDHM CN(C)c1cccnc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000289967360 456199137 /nfs/dbraw/zinc/19/91/37/456199137.db2.gz YRDJCBPNVXRTAB-UHFFFAOYSA-N -1 3 326.227 3.450 20 10 EGCDHM COCCOc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000273359549 456225448 /nfs/dbraw/zinc/22/54/48/456225448.db2.gz DKFYMOWYOVPRJN-ZDUSSCGKSA-N -1 3 345.395 3.377 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccccc2N(C)C)c1 ZINC000273458028 456231464 /nfs/dbraw/zinc/23/14/64/456231464.db2.gz HMWVKWQZQJKZAG-CYBMUJFWSA-N -1 3 328.412 3.096 20 10 EGCDHM Cc1cc(Br)cc([C@@H](C)N[C@H](C)c2ncnn2C)c1[O-] ZINC000276628513 456536285 /nfs/dbraw/zinc/53/62/85/456536285.db2.gz NIKIRZMJPOUJSU-NXEZZACHSA-N -1 3 339.237 3.003 20 10 EGCDHM COc1cc(Cl)cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000291490854 456657948 /nfs/dbraw/zinc/65/79/48/456657948.db2.gz GNKHABRCHWYHEH-XJKSGUPXSA-N -1 3 325.836 3.444 20 10 EGCDHM CC(C)(NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000291634460 456702058 /nfs/dbraw/zinc/70/20/58/456702058.db2.gz AVINXYRHSXVVMX-UHFFFAOYSA-N -1 3 331.328 3.234 20 10 EGCDHM C[C@H](c1ccccc1)N(CCS(C)(=O)=O)Cc1ccccc1[O-] ZINC000299552323 456727116 /nfs/dbraw/zinc/72/71/16/456727116.db2.gz GCNVJQIATNNWBA-OAHLLOKOSA-N -1 3 333.453 3.000 20 10 EGCDHM CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000277231088 456735788 /nfs/dbraw/zinc/73/57/88/456735788.db2.gz MFEWRFDVBTYKLU-DCAQKATOSA-N -1 3 333.392 3.344 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCCN(c2ncccc2F)CC1 ZINC000369034730 458071574 /nfs/dbraw/zinc/07/15/74/458071574.db2.gz IHHMABMLFKKMCQ-UHFFFAOYSA-N -1 3 335.810 3.292 20 10 EGCDHM COCCC1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000529638365 459831754 /nfs/dbraw/zinc/83/17/54/459831754.db2.gz RMBPGPSBFCJWKT-UHFFFAOYSA-N -1 3 328.250 3.403 20 10 EGCDHM COc1ccc([C@H]2CCCN2C(=O)c2cc([O-])cs2)c(OC)c1 ZINC000731867429 575216212 /nfs/dbraw/zinc/21/62/12/575216212.db2.gz UEQZDXHEOLCNJE-CQSZACIVSA-N -1 3 333.409 3.448 20 10 EGCDHM CCOC(=O)C[C@@H](NC(=O)c1cc([O-])cs1)c1ccc(F)cc1 ZINC000732277467 575253159 /nfs/dbraw/zinc/25/31/59/575253159.db2.gz NJZCXUUBGKRVMZ-CYBMUJFWSA-N -1 3 337.372 3.017 20 10 EGCDHM Cc1ccc(Cc2nnc(NC(=O)c3cc([O-])cs3)s2)cc1 ZINC000732290685 575255893 /nfs/dbraw/zinc/25/58/93/575255893.db2.gz WOVNPTXBRNIARN-UHFFFAOYSA-N -1 3 331.422 3.457 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000732290713 575255920 /nfs/dbraw/zinc/25/59/20/575255920.db2.gz YCJMWISCNMDATA-INIZCTEOSA-N -1 3 335.400 3.179 20 10 EGCDHM CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)cc1 ZINC000732354438 575261765 /nfs/dbraw/zinc/26/17/65/575261765.db2.gz MDWHJYUXRZHTCO-SECBINFHSA-N -1 3 337.422 3.360 20 10 EGCDHM CC(C)[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCCC[C@@H]1C ZINC000732354636 575261917 /nfs/dbraw/zinc/26/19/17/575261917.db2.gz OZXXHVRSZVJCHF-SMDDNHRTSA-N -1 3 325.430 3.036 20 10 EGCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000732354527 575261925 /nfs/dbraw/zinc/26/19/25/575261925.db2.gz UGOSLBJQSAZTGV-JMSVASOKSA-N -1 3 339.457 3.140 20 10 EGCDHM CC(C)[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000732354529 575261993 /nfs/dbraw/zinc/26/19/93/575261993.db2.gz UGOSLBJQSAZTGV-TYNCELHUSA-N -1 3 339.457 3.140 20 10 EGCDHM Cc1ccc(C)n1-c1ccsc1C(=O)OCc1cc(=O)c([O-])co1 ZINC000736796262 576032385 /nfs/dbraw/zinc/03/23/85/576032385.db2.gz RMCAMSUOEFTAHG-UHFFFAOYSA-N -1 3 345.376 3.171 20 10 EGCDHM COc1ccc([O-])c(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000742830176 576796083 /nfs/dbraw/zinc/79/60/83/576796083.db2.gz FNRYADKPMOJJCL-UHFFFAOYSA-N -1 3 340.423 3.321 20 10 EGCDHM CCOc1ccc(N(C)Cc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000825638870 608650537 /nfs/dbraw/zinc/65/05/37/608650537.db2.gz QHIJVIVCCADOAL-UHFFFAOYSA-N -1 3 327.363 3.041 20 10 EGCDHM CCOc1ccc(N(C)Cc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000825638870 608650538 /nfs/dbraw/zinc/65/05/38/608650538.db2.gz QHIJVIVCCADOAL-UHFFFAOYSA-N -1 3 327.363 3.041 20 10 EGCDHM C[C@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccc(F)cc1[O-] ZINC000186439373 1295326440 /nfs/dbraw/zinc/32/64/40/1295326440.db2.gz MVADLNPOGQQFAE-LBPRGKRZSA-N -1 3 342.374 3.079 20 10 EGCDHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C12CCCCC2 ZINC000187131208 1295369374 /nfs/dbraw/zinc/36/93/74/1295369374.db2.gz WAUOCHFFOKRIPA-HZPDHXFCSA-N -1 3 333.428 3.298 20 10 EGCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)c(C)c1 ZINC000189430687 1295521508 /nfs/dbraw/zinc/52/15/08/1295521508.db2.gz ZUIAFMFGVZVGPO-UHFFFAOYSA-N -1 3 335.425 3.463 20 10 EGCDHM C[C@H](NCc1cc(F)ccc1[O-])c1nc(Cc2ccccc2)no1 ZINC000191593287 1295694372 /nfs/dbraw/zinc/69/43/72/1295694372.db2.gz GVUYTQLVHIKDQX-LBPRGKRZSA-N -1 3 327.359 3.356 20 10 EGCDHM CCCC(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1C ZINC000192990348 1295825346 /nfs/dbraw/zinc/82/53/46/1295825346.db2.gz ZLOGKJFKNUAUIX-UHFFFAOYSA-N -1 3 328.368 3.397 20 10 EGCDHM COC[C@]1(C)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715701614 1298284583 /nfs/dbraw/zinc/28/45/83/1298284583.db2.gz DTZMADQCYORREV-CQSZACIVSA-N -1 3 332.213 3.152 20 10 EGCDHM CCOC[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715819558 1298289667 /nfs/dbraw/zinc/28/96/67/1298289667.db2.gz XKVKDNPXGKKAJR-SNVBAGLBSA-N -1 3 332.213 3.152 20 10 EGCDHM COc1cccc2sc(NC(=O)c3ccc(C)c(O)c3[O-])nc21 ZINC000751534440 1299563995 /nfs/dbraw/zinc/56/39/95/1299563995.db2.gz ZEDDJLWSNKBZLW-UHFFFAOYSA-N -1 3 330.365 3.277 20 10 EGCDHM COCCOc1ccccc1N[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000757580670 1300687020 /nfs/dbraw/zinc/68/70/20/1300687020.db2.gz VVBFQTFQPQBDKW-CYBMUJFWSA-N -1 3 345.395 3.377 20 10 EGCDHM Cc1cc(C=Cc2nccc(=O)[n-]2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000764433912 1302063066 /nfs/dbraw/zinc/06/30/66/1302063066.db2.gz HFTHOLDXKZBECK-UTCJRWHESA-N -1 3 335.363 3.489 20 10 EGCDHM C[S@](=O)C[C@H](NCc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000765638604 1302294495 /nfs/dbraw/zinc/29/44/95/1302294495.db2.gz MVCBLZCRFMHHDM-NYHFZMIOSA-N -1 3 341.835 3.394 20 10 EGCDHM Cc1nc(N2CCOCC2)ccc1N[C@H](C)c1c([O-])cccc1F ZINC000886586101 1303513704 /nfs/dbraw/zinc/51/37/04/1303513704.db2.gz KWNNNZOEIRNDKJ-CYBMUJFWSA-N -1 3 331.391 3.244 20 10 EGCDHM Cc1ccc(CN2CC[C@H](N[C@H](C)c3c([O-])cccc3F)C2=O)cc1 ZINC000886598599 1303517373 /nfs/dbraw/zinc/51/73/73/1303517373.db2.gz GCWIHFIVSUNWGJ-PBHICJAKSA-N -1 3 342.414 3.291 20 10 EGCDHM C[C@H](N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1c([O-])cccc1F ZINC000886627027 1303531423 /nfs/dbraw/zinc/53/14/23/1303531423.db2.gz RCLZUAGVMGDKDU-XHDPSFHLSA-N -1 3 332.350 3.127 20 10 EGCDHM COc1c([O-])c(CNc2ccc(NC(C)=O)c(C)c2)ccc1[N+](=O)[O-] ZINC000774936555 1303880715 /nfs/dbraw/zinc/88/07/15/1303880715.db2.gz UXJPXGVNUDDWMK-UHFFFAOYSA-N -1 3 345.355 3.188 20 10 EGCDHM O=[N+]([O-])c1cc(CNCc2cccc(Br)c2[O-])cs1 ZINC000775147452 1303916339 /nfs/dbraw/zinc/91/63/39/1303916339.db2.gz SGBBMIOXYURNOY-UHFFFAOYSA-N -1 3 343.202 3.414 20 10 EGCDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000775648363 1304003465 /nfs/dbraw/zinc/00/34/65/1304003465.db2.gz FPPWHIRVOQYJGY-ZDUSSCGKSA-N -1 3 340.851 3.487 20 10 EGCDHM CCOC(=O)c1cccc(N(CC)C(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780904243 1304749929 /nfs/dbraw/zinc/74/99/29/1304749929.db2.gz AAORUEPUVCIWOT-UHFFFAOYSA-N -1 3 343.379 3.250 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)c([O-])c1O ZINC000781017583 1304760543 /nfs/dbraw/zinc/76/05/43/1304760543.db2.gz BWIDYTDOGNPHHR-CQSZACIVSA-N -1 3 341.285 3.254 20 10 EGCDHM O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1cccc(O)c1[O-] ZINC000788655099 1305990711 /nfs/dbraw/zinc/99/07/11/1305990711.db2.gz PLGPSGYUSFDFNS-UHFFFAOYSA-N -1 3 348.358 3.347 20 10 EGCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000790575871 1306355157 /nfs/dbraw/zinc/35/51/57/1306355157.db2.gz HHRWTSZPBVCOPA-AWEZNQCLSA-N -1 3 337.379 3.369 20 10 EGCDHM O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1cccc(O)c1[O-] ZINC000790627539 1306363603 /nfs/dbraw/zinc/36/36/03/1306363603.db2.gz RMNYEUQQCNKQLF-CHWSQXEVSA-N -1 3 348.196 3.146 20 10 EGCDHM COCCSc1ccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790652239 1306369087 /nfs/dbraw/zinc/36/90/87/1306369087.db2.gz ZXLVBQUZQINAQF-GFCCVEGCSA-N -1 3 347.436 3.327 20 10 EGCDHM O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cccc(O)c1[O-] ZINC000790875900 1308879879 /nfs/dbraw/zinc/87/98/79/1308879879.db2.gz GAOLZEAHGNRZAR-UHFFFAOYSA-N -1 3 331.278 3.018 20 10 EGCDHM CN(C(=O)CNCc1c([O-])ccc(Cl)c1F)C1CCCCC1 ZINC000790972797 1308900511 /nfs/dbraw/zinc/90/05/11/1308900511.db2.gz GYNLKBQZBHSUPD-UHFFFAOYSA-N -1 3 328.815 3.065 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCn2nc(C3CC3)cc2C1 ZINC000896938406 1310092355 /nfs/dbraw/zinc/09/23/55/1310092355.db2.gz OGYRRLCGJPMSQW-UHFFFAOYSA-N -1 3 348.244 3.244 20 10 EGCDHM COc1c([O-])c(CNc2ccc3c(c2)C[C@H](C)O3)ccc1[N+](=O)[O-] ZINC000897113618 1310186337 /nfs/dbraw/zinc/18/63/37/1310186337.db2.gz DKESYNGPHOOLPE-JTQLQIEISA-N -1 3 330.340 3.245 20 10 EGCDHM COc1ccc([C@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])cc1Cl ZINC000901845814 1317484631 /nfs/dbraw/zinc/48/46/31/1317484631.db2.gz ASWALFQYTLKUGU-KRWDZBQOSA-N -1 3 347.798 3.199 20 10 EGCDHM O=C(NC1CC1)OC[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000811510953 1318191148 /nfs/dbraw/zinc/19/11/48/1318191148.db2.gz ANXONZMKNDZSMH-CQSZACIVSA-N -1 3 338.835 3.289 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2c(F)cc(F)cc2F)c1 ZINC000815649479 1319035462 /nfs/dbraw/zinc/03/54/62/1319035462.db2.gz QZUJTDBMKNOFGD-SECBINFHSA-N -1 3 339.313 3.447 20 10 EGCDHM CCn1nc(C)c(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000818344279 1319532301 /nfs/dbraw/zinc/53/23/01/1319532301.db2.gz BHMQLRDUJTUHRG-SECBINFHSA-N -1 3 328.338 3.182 20 10 EGCDHM Cc1cc([O-])c(CN2CCNC(=O)[C@H]2c2cccs2)cc1Cl ZINC000824856538 1320291477 /nfs/dbraw/zinc/29/14/77/1320291477.db2.gz ZLIXGKZXJFJWIR-OAHLLOKOSA-N -1 3 336.844 3.089 20 10 EGCDHM CCOC(=O)C[C@@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000827006065 1320419761 /nfs/dbraw/zinc/41/97/61/1320419761.db2.gz LMVJTODJXUUHOH-LLVKDONJSA-N -1 3 325.714 3.019 20 10 EGCDHM [O-]c1c(Br)cccc1CN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840956349 1321185303 /nfs/dbraw/zinc/18/53/03/1321185303.db2.gz RBQGWPOWSAXGHO-GDBMZVCRSA-N -1 3 348.240 3.463 20 10 EGCDHM Cc1noc([C@H](C)N(C)Cc2cc(Br)ccc2[O-])n1 ZINC000848926455 1322047484 /nfs/dbraw/zinc/04/74/84/1322047484.db2.gz YBIYRDKGUQBQPB-QMMMGPOBSA-N -1 3 326.194 3.039 20 10 EGCDHM [O-]c1cccc(Br)c1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000862380391 1329480415 /nfs/dbraw/zinc/48/04/15/1329480415.db2.gz FBXUJWCVCGKBAC-HOTGVXAUSA-N -1 3 338.245 3.298 20 10 EGCDHM CC(C)O[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306740 1378714212 /nfs/dbraw/zinc/71/42/12/1378714212.db2.gz OEQJAMVYPSNUEP-NSHDSACASA-N -1 3 332.213 3.293 20 10 EGCDHM O=C(NC1CC1)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001324743727 1387758901 /nfs/dbraw/zinc/75/89/01/1387758901.db2.gz FHBGHLYQMBPWTN-JTQLQIEISA-N -1 3 343.254 3.190 20 10 EGCDHM COc1cc(O)ccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191905092 1367632635 /nfs/dbraw/zinc/63/26/35/1367632635.db2.gz LMVSEOOCYBZMBL-UHFFFAOYSA-N -1 3 345.779 3.135 20 10 EGCDHM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-]c1ccc(O)cc1O ZINC001197718022 1368880475 /nfs/dbraw/zinc/88/04/75/1368880475.db2.gz VLNUMMPVDIBVHY-UHFFFAOYSA-N -1 3 348.207 3.347 20 10 EGCDHM COC(=O)[C@@H]1C[C@H](C)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203580979 1370177884 /nfs/dbraw/zinc/17/78/84/1370177884.db2.gz XTAMIGFXEKDJMJ-GXSJLCMTSA-N -1 3 332.227 3.330 20 10 EGCDHM O=C1c2ccccc2[C@@H]2CN(Cc3cc(Cl)ccc3[O-])CCN12 ZINC001203651695 1370201167 /nfs/dbraw/zinc/20/11/67/1370201167.db2.gz SPUVFBNOUFBPPK-INIZCTEOSA-N -1 3 328.799 3.058 20 10 EGCDHM Cc1cc(-c2noc(-c3cccc(O)c3[O-])n2)ncc1Br ZINC001215145752 1373177823 /nfs/dbraw/zinc/17/78/23/1373177823.db2.gz HEICKLNAXXXCDC-UHFFFAOYSA-N -1 3 348.156 3.281 20 10 EGCDHM C[C@H](Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)C(F)(F)F ZINC001226380105 1375248503 /nfs/dbraw/zinc/24/85/03/1375248503.db2.gz NHHKBINXWJLRFM-QMMMGPOBSA-N -1 3 336.265 3.497 20 10 EGCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC3CCSCC3)cccc21 ZINC001226379595 1375248655 /nfs/dbraw/zinc/24/86/55/1375248655.db2.gz FOMPSGFVSCRFIV-UHFFFAOYSA-N -1 3 340.400 3.442 20 10 EGCDHM C[C@H](Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)c1ncccn1 ZINC001226380486 1375248668 /nfs/dbraw/zinc/24/86/68/1375248668.db2.gz WJVCVQOKJWDMQK-NSHDSACASA-N -1 3 346.342 3.098 20 10 EGCDHM CCn1ncc2c1[C@H](COC)CN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231868851 1376330241 /nfs/dbraw/zinc/33/02/41/1376330241.db2.gz YAGCABJKUOUNPL-HNNXBMFYSA-N -1 3 349.862 3.316 20 10 EGCDHM Cc1cc([O-])c(CN2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)cc1Cl ZINC001231869230 1376331162 /nfs/dbraw/zinc/33/11/62/1376331162.db2.gz MQNKONBNWWUFDR-OLZOCXBDSA-N -1 3 341.732 3.191 20 10 EGCDHM Cc1ccnc(O[C@@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC001231913250 1376348310 /nfs/dbraw/zinc/34/83/10/1376348310.db2.gz JUFNWOLGKDDOHQ-CQSZACIVSA-N -1 3 333.819 3.187 20 10 EGCDHM COc1cccnc1O[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231913996 1376348397 /nfs/dbraw/zinc/34/83/97/1376348397.db2.gz WQTOVEDNWIWQOY-AWEZNQCLSA-N -1 3 348.830 3.493 20 10 EGCDHM Cc1cc(O[C@@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)ncn1 ZINC001231913707 1376349543 /nfs/dbraw/zinc/34/95/43/1376349543.db2.gz QDOJBZFJIAIPBF-CQSZACIVSA-N -1 3 333.819 3.187 20 10 EGCDHM COc1cccc(CN2CCN(Cc3cccc(Cl)c3[O-])CC2)c1 ZINC001231912767 1376349666 /nfs/dbraw/zinc/34/96/66/1376349666.db2.gz YMSZNIXKDSADKK-UHFFFAOYSA-N -1 3 346.858 3.372 20 10 EGCDHM [O-]c1c(CN2CCN(c3cccnc3)CC2)cccc1C(F)(F)F ZINC001233415839 1376641520 /nfs/dbraw/zinc/64/15/20/1376641520.db2.gz KBPWEBILQSCZDE-UHFFFAOYSA-N -1 3 337.345 3.128 20 10 EGCDHM CCCc1noc([C@H]2CCCN(Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139685911 1377934373 /nfs/dbraw/zinc/93/43/73/1377934373.db2.gz DSXFEPUIPKUQKS-NSHDSACASA-N -1 3 337.370 3.386 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])cc(F)cc2F)CCC[C@]1(O)C(F)(F)F ZINC001140582260 1378089443 /nfs/dbraw/zinc/08/94/43/1378089443.db2.gz FVBXIAYKTKMKQZ-LKFCYVNXSA-N -1 3 339.304 3.196 20 10 EGCDHM Cc1cccc(O[C@@H]2CCCN(Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140585771 1378091335 /nfs/dbraw/zinc/09/13/35/1378091335.db2.gz UHYKRXYTMOAAIB-CQSZACIVSA-N -1 3 334.366 3.417 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142525121 1378453003 /nfs/dbraw/zinc/45/30/03/1378453003.db2.gz YLGQPTOVNZOVDJ-LBPRGKRZSA-N -1 3 342.386 3.160 20 10 EGCDHM CCOc1ccc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142530290 1378454583 /nfs/dbraw/zinc/45/45/83/1378454583.db2.gz BXFFBTKFOBEUEN-UHFFFAOYSA-N -1 3 348.393 3.391 20 10 EGCDHM Nc1nc(Cl)cc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157724374 1381014981 /nfs/dbraw/zinc/01/49/81/1381014981.db2.gz MWNDHDDCSAIJKQ-UHFFFAOYSA-N -1 3 336.182 3.232 20 10 EGCDHM COC(=O)c1cccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157723987 1381015117 /nfs/dbraw/zinc/01/51/17/1381015117.db2.gz ICXRGFIFXRWNTA-UHFFFAOYSA-N -1 3 343.770 3.388 20 10 EGCDHM CN(C)c1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncn1 ZINC001157724339 1381015177 /nfs/dbraw/zinc/01/51/77/1381015177.db2.gz LSYFTRSVXRWSPI-UHFFFAOYSA-N -1 3 329.791 3.062 20 10 EGCDHM Cc1nc(NCc2cc(Cl)c3cccnc3c2[O-])ncc1[N+](=O)[O-] ZINC001157727872 1381017002 /nfs/dbraw/zinc/01/70/02/1381017002.db2.gz QROZMPPEEVPCFB-UHFFFAOYSA-N -1 3 345.746 3.213 20 10 EGCDHM Cn1ccc2nc(NCc3cc(Cl)c4cccnc4c3[O-])cnc21 ZINC001168524227 1383929738 /nfs/dbraw/zinc/92/97/38/1383929738.db2.gz XZGWXCFUTOHBHH-UHFFFAOYSA-N -1 3 339.786 3.488 20 10 EGCDHM Cc1ccnc(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001178269226 1386176772 /nfs/dbraw/zinc/17/67/72/1386176772.db2.gz OEWOWOLOLIXNJT-UHFFFAOYSA-N -1 3 341.798 3.156 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1C[C@@H]1C(F)(F)F ZINC001182328975 1387149647 /nfs/dbraw/zinc/14/96/47/1387149647.db2.gz NOMRETOQDRPXIF-ZJUUUORDSA-N -1 3 344.720 3.408 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@](O)(C2CC2)C1 ZINC001331567789 1389805652 /nfs/dbraw/zinc/80/56/52/1389805652.db2.gz KIFXJNZLFXUUFQ-CQSZACIVSA-N -1 3 346.652 3.155 20 10 EGCDHM COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)c1[O-] ZINC000317650148 950911700 /nfs/dbraw/zinc/91/17/00/950911700.db2.gz RSZYAELFRSSGID-NSHDSACASA-N -1 3 327.808 3.131 20 10 EGCDHM COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c1[O-] ZINC000317650148 950911713 /nfs/dbraw/zinc/91/17/13/950911713.db2.gz RSZYAELFRSSGID-NSHDSACASA-N -1 3 327.808 3.131 20 10 EGCDHM COc1cc(Cl)cc(C[NH+]2CCC(CCC(=O)[O-])CC2)c1[O-] ZINC000388787579 951337823 /nfs/dbraw/zinc/33/78/23/951337823.db2.gz IBRGHTZACHZXES-UHFFFAOYSA-N -1 3 327.808 3.131 20 10 EGCDHM O=C([O-])[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001595164701 952204703 /nfs/dbraw/zinc/20/47/03/952204703.db2.gz BONQNBOUUGPMQM-QGZVFWFLSA-N -1 3 341.407 3.268 20 10 EGCDHM O=C([O-])[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001595164701 952204706 /nfs/dbraw/zinc/20/47/06/952204706.db2.gz BONQNBOUUGPMQM-QGZVFWFLSA-N -1 3 341.407 3.268 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1[O-] ZINC001594058822 958069810 /nfs/dbraw/zinc/06/98/10/958069810.db2.gz KGVHYZSLZKYEOY-CABCVRRESA-N -1 3 347.798 3.457 20 10 EGCDHM C[C@@H](NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1ccccc1O ZINC001604994103 972587177 /nfs/dbraw/zinc/58/71/77/972587177.db2.gz SHXYIYDBICZWCQ-ZIAGYGMSSA-N -1 3 344.411 3.137 20 10 EGCDHM C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)c1ccccc1[O-] ZINC001604994103 972587185 /nfs/dbraw/zinc/58/71/85/972587185.db2.gz SHXYIYDBICZWCQ-ZIAGYGMSSA-N -1 3 344.411 3.137 20 10 EGCDHM C[C@]1(C(=O)[O-])CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001603306907 972587328 /nfs/dbraw/zinc/58/73/28/972587328.db2.gz NWAWVCFSAMBUAX-FQEVSTJZSA-N -1 3 341.407 3.268 20 10 EGCDHM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC001603306907 972587331 /nfs/dbraw/zinc/58/73/31/972587331.db2.gz NWAWVCFSAMBUAX-FQEVSTJZSA-N -1 3 341.407 3.268 20 10 EGCDHM C[C@H]([NH2+]CCOc1ccc(C(=O)[O-])cc1Cl)c1ccccc1[O-] ZINC001599902085 984853789 /nfs/dbraw/zinc/85/37/89/984853789.db2.gz JJLRUXSGKGYCCK-NSHDSACASA-N -1 3 335.787 3.473 20 10 EGCDHM C[C@@H](N[C@@H](CCO)c1ccccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593211159 994262909 /nfs/dbraw/zinc/26/29/09/994262909.db2.gz VMKHHXMPBVRVID-BZNIZROVSA-N -1 3 333.359 3.004 20 10 EGCDHM C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257570 994532128 /nfs/dbraw/zinc/53/21/28/994532128.db2.gz QEKJCLUZEKGAMS-JSGCOSHPSA-N -1 3 327.380 3.307 20 10 EGCDHM COc1cc(C)c(C[NH2+][C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC001599391218 997039499 /nfs/dbraw/zinc/03/94/99/997039499.db2.gz LDIVBOHLXHKVKT-YOEHRIQHSA-N -1 3 343.423 3.131 20 10 EGCDHM COc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c(C)c1OC ZINC001599570989 998365229 /nfs/dbraw/zinc/36/52/29/998365229.db2.gz GLTUVURVSBGRPO-LBPRGKRZSA-N -1 3 345.395 3.267 20 10 EGCDHM C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001594169033 998651796 /nfs/dbraw/zinc/65/17/96/998651796.db2.gz ZGZJGCWQPUEHFQ-KSSFIOAISA-N -1 3 341.407 3.266 20 10 EGCDHM C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001594169033 998651799 /nfs/dbraw/zinc/65/17/99/998651799.db2.gz ZGZJGCWQPUEHFQ-KSSFIOAISA-N -1 3 341.407 3.266 20 10 EGCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2c(F)cccc2N2CCCC2)c1 ZINC000264546194 455234816 /nfs/dbraw/zinc/23/48/16/455234816.db2.gz WARAOJUQSXHVEK-UHFFFAOYSA-N -1 3 345.374 3.330 20 10 EGCDHM Cc1ccc([O-])c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000120830588 454353289 /nfs/dbraw/zinc/35/32/89/454353289.db2.gz LULFUBJWEXZWTL-INIZCTEOSA-N -1 3 341.407 3.228 20 10 EGCDHM CCN(Cc1ccccc1)C(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000121143797 454397210 /nfs/dbraw/zinc/39/72/10/454397210.db2.gz PTMNKJLFALRBEP-INIZCTEOSA-N -1 3 326.440 3.261 20 10 EGCDHM CN(CCc1nccs1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093843838 454739589 /nfs/dbraw/zinc/73/95/89/454739589.db2.gz WPHCQSQIWRSOMZ-UHFFFAOYSA-N -1 3 327.793 3.085 20 10 EGCDHM CC(C)(C)c1noc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000109761492 454835749 /nfs/dbraw/zinc/83/57/49/454835749.db2.gz RWLIBAZRXGDNAD-HNNXBMFYSA-N -1 3 345.443 3.254 20 10 EGCDHM O=C1CCCCN1CC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180338230 455159049 /nfs/dbraw/zinc/15/90/49/455159049.db2.gz RJVJOJWIXJDHQN-UHFFFAOYSA-N -1 3 336.863 3.270 20 10 EGCDHM CC[C@]1(CO)CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000190215367 455288767 /nfs/dbraw/zinc/28/87/67/455288767.db2.gz NYZCGEASEDOEIN-HNNXBMFYSA-N -1 3 328.250 3.139 20 10 EGCDHM Cc1ccc(C(=O)N[C@H](c2nccs2)c2ccccc2)c([O-])c1O ZINC000182381966 455501864 /nfs/dbraw/zinc/50/18/64/455501864.db2.gz IPJKIFQPVZAJJX-AWEZNQCLSA-N -1 3 340.404 3.382 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(O)c(COC(C)C)c2)c([O-])c1O ZINC000292609533 455710698 /nfs/dbraw/zinc/71/06/98/455710698.db2.gz IKYALCYFSVDAAU-UHFFFAOYSA-N -1 3 331.368 3.289 20 10 EGCDHM COc1ccc(N2CCCN(C(=O)c3cccc(C)c3[O-])CC2)cc1 ZINC000193519334 455763686 /nfs/dbraw/zinc/76/36/86/455763686.db2.gz RMTWGYKJFPEDOQ-UHFFFAOYSA-N -1 3 340.423 3.062 20 10 EGCDHM COc1cccc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278886343 455851912 /nfs/dbraw/zinc/85/19/12/455851912.db2.gz OWWUPLYHLYOOIT-NSHDSACASA-N -1 3 332.356 3.168 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](O)CC(C)(C)C2)c1[O-] ZINC000295600697 455855079 /nfs/dbraw/zinc/85/50/79/455855079.db2.gz XGHSYVQFNQDQTP-CQSZACIVSA-N -1 3 325.836 3.231 20 10 EGCDHM Cc1ccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)c([O-])c1O ZINC000272736760 456056472 /nfs/dbraw/zinc/05/64/72/456056472.db2.gz LFMOTUZWWSFRSL-UHFFFAOYSA-N -1 3 329.371 3.393 20 10 EGCDHM Cc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(F)cc3[O-])C2=O)cc1 ZINC000189088598 456223173 /nfs/dbraw/zinc/22/31/73/456223173.db2.gz VBACMGYFODPMSM-KDOFPFPSSA-N -1 3 342.414 3.291 20 10 EGCDHM CCOc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1CO ZINC000273386483 456226567 /nfs/dbraw/zinc/22/65/67/456226567.db2.gz CYOPMWJGEKGCCP-LBPRGKRZSA-N -1 3 345.395 3.243 20 10 EGCDHM COc1cc(Cl)cc(CNCc2nccc(C(F)F)n2)c1[O-] ZINC000290223739 456270781 /nfs/dbraw/zinc/27/07/81/456270781.db2.gz RYTYZSYMFMFAMX-UHFFFAOYSA-N -1 3 329.734 3.072 20 10 EGCDHM C[C@@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(F)c(F)c1[O-] ZINC000276901134 456615469 /nfs/dbraw/zinc/61/54/69/456615469.db2.gz JBOCAXPLTBJJKR-LLVKDONJSA-N -1 3 346.377 3.413 20 10 EGCDHM [O-]c1c(Br)cccc1CNc1cc(N2CCCC2)ncn1 ZINC000277289386 456763382 /nfs/dbraw/zinc/76/33/82/456763382.db2.gz ASHVPEIJIAFULG-UHFFFAOYSA-N -1 3 349.232 3.157 20 10 EGCDHM Cc1c(NC(=O)c2ccc(C)c(O)c2[O-])cnn1-c1ccccc1F ZINC000370359274 457628710 /nfs/dbraw/zinc/62/87/10/457628710.db2.gz NGOBSSVSSKNNLV-UHFFFAOYSA-N -1 3 341.342 3.292 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCCC3(CCOCC3)C2)c1[O-] ZINC000371325071 457866763 /nfs/dbraw/zinc/86/67/63/457866763.db2.gz BVDRKBVZDHWPLM-UHFFFAOYSA-N -1 3 340.807 3.346 20 10 EGCDHM O=C1NCCN(Cc2c([O-])ccc3ccccc32)[C@H]1c1cccs1 ZINC000371792582 458076086 /nfs/dbraw/zinc/07/60/86/458076086.db2.gz MCZFNVYEFSEEMZ-SFHVURJKSA-N -1 3 338.432 3.280 20 10 EGCDHM Cc1ccc(C(=O)N2CCS[C@H](c3ccccc3)C2)c([O-])c1O ZINC000369419903 458208505 /nfs/dbraw/zinc/20/85/05/458208505.db2.gz SYDAQIVFAUNLJS-HNNXBMFYSA-N -1 3 329.421 3.337 20 10 EGCDHM CC(C)OC(=O)C[C@H](NC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731864827 575213465 /nfs/dbraw/zinc/21/34/65/575213465.db2.gz AQCKDNXEQTUBTB-AWEZNQCLSA-N -1 3 333.409 3.267 20 10 EGCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1ccc(NC(=O)C2CC2)cc1 ZINC000731868551 575216691 /nfs/dbraw/zinc/21/66/91/575216691.db2.gz JKHQZLDPSZNXTF-JTQLQIEISA-N -1 3 330.409 3.293 20 10 EGCDHM CCOc1cc2c(cc1CNC(=O)c1cc([O-])cs1)O[C@@H](C)C2 ZINC000732258842 575250003 /nfs/dbraw/zinc/25/00/03/575250003.db2.gz YMLQNLWMQPXJCR-JTQLQIEISA-N -1 3 333.409 3.106 20 10 EGCDHM O=C(NCCCOc1cccc2cccnc21)c1cc([O-])cs1 ZINC000733362644 575330967 /nfs/dbraw/zinc/33/09/67/575330967.db2.gz UZNNMURBTNDOTA-UHFFFAOYSA-N -1 3 328.393 3.201 20 10 EGCDHM CCC[N@H+](CCOc1cccc(C(=O)[O-])c1)Cc1ccccc1[O-] ZINC000737019290 576082214 /nfs/dbraw/zinc/08/22/14/576082214.db2.gz CCQSOPOIDLRZTA-UHFFFAOYSA-N -1 3 329.396 3.381 20 10 EGCDHM CCC[N@@H+](CCOc1cccc(C(=O)[O-])c1)Cc1ccccc1[O-] ZINC000737019290 576082215 /nfs/dbraw/zinc/08/22/15/576082215.db2.gz CCQSOPOIDLRZTA-UHFFFAOYSA-N -1 3 329.396 3.381 20 10 EGCDHM O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])CCC2 ZINC000739723003 576502050 /nfs/dbraw/zinc/50/20/50/576502050.db2.gz ANPKDGBDGNZEMA-UHFFFAOYSA-N -1 3 325.408 3.358 20 10 EGCDHM O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])CCC2 ZINC000739723003 576502051 /nfs/dbraw/zinc/50/20/51/576502051.db2.gz ANPKDGBDGNZEMA-UHFFFAOYSA-N -1 3 325.408 3.358 20 10 EGCDHM COc1ccccc1-c1noc([C@H](C)NC(=O)c2cc([O-])cs2)n1 ZINC000743798534 576816051 /nfs/dbraw/zinc/81/60/51/576816051.db2.gz NODDYWSKQPYOMF-VIFPVBQESA-N -1 3 345.380 3.003 20 10 EGCDHM O=C([O-])c1sccc1C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000833347989 601825910 /nfs/dbraw/zinc/82/59/10/601825910.db2.gz YRWKSNHLAHHEAV-OAHLLOKOSA-N -1 3 347.436 3.333 20 10 EGCDHM O=C([O-])c1sccc1C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000833347989 601825912 /nfs/dbraw/zinc/82/59/12/601825912.db2.gz YRWKSNHLAHHEAV-OAHLLOKOSA-N -1 3 347.436 3.333 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@H](CCO)C1 ZINC000894004511 1306173299 /nfs/dbraw/zinc/17/32/99/1306173299.db2.gz SFPNDGIYXQFPSJ-SNVBAGLBSA-N -1 3 348.668 3.403 20 10 EGCDHM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179484819 1294797710 /nfs/dbraw/zinc/79/77/10/1294797710.db2.gz LSJYAFJWPBXXEU-UHFFFAOYSA-N -1 3 334.759 3.270 20 10 EGCDHM O=C(c1ccc(O)cc1[O-])N(Cc1ccco1)Cc1ccccc1O ZINC000182610589 1295062955 /nfs/dbraw/zinc/06/29/55/1295062955.db2.gz CFTHAEIXYKMMRJ-UHFFFAOYSA-N -1 3 339.347 3.239 20 10 EGCDHM O=C(NCCc1csc(-c2ccccc2)n1)c1cccc(O)c1[O-] ZINC000185821572 1295288863 /nfs/dbraw/zinc/28/88/63/1295288863.db2.gz PTHYZEMWUGUCNN-UHFFFAOYSA-N -1 3 340.404 3.194 20 10 EGCDHM CCc1c(NC(=O)c2cccc(O)c2[O-])cnn1-c1ccccc1C ZINC000192137941 1295734803 /nfs/dbraw/zinc/73/48/03/1295734803.db2.gz PZQLNIRIAWHZID-UHFFFAOYSA-N -1 3 337.379 3.407 20 10 EGCDHM CCc1nc(C)c(CNCc2c([O-])cccc2Br)o1 ZINC000706854238 1298224297 /nfs/dbraw/zinc/22/42/97/1298224297.db2.gz XIKBWEOCMGSLCI-UHFFFAOYSA-N -1 3 325.206 3.303 20 10 EGCDHM COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000750819481 1299458156 /nfs/dbraw/zinc/45/81/56/1299458156.db2.gz BNXWNWSCBNVBAI-QGZVFWFLSA-N -1 3 345.370 3.080 20 10 EGCDHM Cc1nnc(-c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)o1 ZINC000751538543 1299565429 /nfs/dbraw/zinc/56/54/29/1299565429.db2.gz RMGNLIWVMIQGAH-UHFFFAOYSA-N -1 3 325.324 3.017 20 10 EGCDHM Cc1cccc2c1C(=O)N[C@H](c1c([O-])cccc1Br)N2 ZINC000877848280 1299608176 /nfs/dbraw/zinc/60/81/76/1299608176.db2.gz NYOUUTGMQZVOLY-CQSZACIVSA-N -1 3 333.185 3.317 20 10 EGCDHM Cc1ccc2c(c1)C(=O)N[C@H](c1cc(O)cc(Br)c1[O-])N2 ZINC000877860969 1299614302 /nfs/dbraw/zinc/61/43/02/1299614302.db2.gz DKRWGZSTPJGBBX-CQSZACIVSA-N -1 3 349.184 3.023 20 10 EGCDHM Cc1cc([C@@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])ccc1Cl ZINC000756363116 1300475619 /nfs/dbraw/zinc/47/56/19/1300475619.db2.gz SFJIVJBRWFQLQQ-QGZVFWFLSA-N -1 3 331.799 3.499 20 10 EGCDHM COc1nc(C)cc(C)c1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756531817 1300516356 /nfs/dbraw/zinc/51/63/56/1300516356.db2.gz AZJDKYJROGLWKD-LBPRGKRZSA-N -1 3 331.372 3.172 20 10 EGCDHM COc1cccc2c1OCC[C@@H]2N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756703046 1300550695 /nfs/dbraw/zinc/55/06/95/1300550695.db2.gz DWELTHBRTYTHSJ-ABAIWWIYSA-N -1 3 344.367 3.483 20 10 EGCDHM C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)c1ccc(F)cc1[O-] ZINC000756743258 1300557688 /nfs/dbraw/zinc/55/76/88/1300557688.db2.gz RCILZRNGBQLGON-SNVBAGLBSA-N -1 3 330.338 3.306 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000757656561 1300704538 /nfs/dbraw/zinc/70/45/38/1300704538.db2.gz KADXNIBNSCUJEB-LKFCYVNXSA-N -1 3 349.333 3.241 20 10 EGCDHM [O-]c1c(F)cc(Br)cc1CN[C@@H](CCO)c1ccco1 ZINC000883089110 1302242434 /nfs/dbraw/zinc/24/24/34/1302242434.db2.gz AQBJZJNZGANGRR-LBPRGKRZSA-N -1 3 344.180 3.100 20 10 EGCDHM CCS(=O)(=O)c1ccc(CN[C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886580392 1303510633 /nfs/dbraw/zinc/51/06/33/1303510633.db2.gz HVJANGDMSKNIBU-LBPRGKRZSA-N -1 3 337.416 3.176 20 10 EGCDHM C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(N(C)C)cc1 ZINC000773611857 1303713966 /nfs/dbraw/zinc/71/39/66/1303713966.db2.gz AJLUHEWRDFOTTF-LBPRGKRZSA-N -1 3 331.391 3.158 20 10 EGCDHM COc1c([O-])c(CN2CC[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000774904783 1303875467 /nfs/dbraw/zinc/87/54/67/1303875467.db2.gz URSIUNXBAUDXQB-AWEZNQCLSA-N -1 3 332.331 3.395 20 10 EGCDHM CN(Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1COc2ccccc2O1 ZINC000775643135 1304002126 /nfs/dbraw/zinc/00/21/26/1304002126.db2.gz NAHBRHIYNUGEKU-CYBMUJFWSA-N -1 3 337.778 3.457 20 10 EGCDHM CC(C)C[C@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2[nH]1 ZINC000776647619 1304182739 /nfs/dbraw/zinc/18/27/39/1304182739.db2.gz KFBLASHRFUBQPP-HNNXBMFYSA-N -1 3 339.395 3.491 20 10 EGCDHM CSc1cc2c(cc1NC(=O)c1ccc(C)c(O)c1[O-])OCCO2 ZINC000780922496 1304752089 /nfs/dbraw/zinc/75/20/89/1304752089.db2.gz SHSPZSCOLRRQBX-UHFFFAOYSA-N -1 3 347.392 3.152 20 10 EGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000783833357 1305149679 /nfs/dbraw/zinc/14/96/79/1305149679.db2.gz XKBUHRHFXNBHPG-UHFFFAOYSA-N -1 3 343.351 3.145 20 10 EGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nc(C(F)(F)F)cs1 ZINC000787804780 1305797447 /nfs/dbraw/zinc/79/74/47/1305797447.db2.gz XOOBIBGCBJOUJR-LURJTMIESA-N -1 3 332.303 3.064 20 10 EGCDHM COc1c2ccccc2oc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000788969792 1306054133 /nfs/dbraw/zinc/05/41/33/1306054133.db2.gz NYZWIZHMJHWZLL-UHFFFAOYSA-N -1 3 328.324 3.345 20 10 EGCDHM CC(C)(C)OC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893999572 1306171173 /nfs/dbraw/zinc/17/11/73/1306171173.db2.gz TWFRKJLDQOFLGN-UHFFFAOYSA-N -1 3 327.371 3.224 20 10 EGCDHM O=C(NCc1ccnc(Oc2ccccc2)c1)c1cccc(O)c1[O-] ZINC000790538126 1306347530 /nfs/dbraw/zinc/34/75/30/1306347530.db2.gz CNEVHMNCUMWIKD-UHFFFAOYSA-N -1 3 336.347 3.215 20 10 EGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1N1CCSCC1 ZINC000790614070 1306362299 /nfs/dbraw/zinc/36/22/99/1306362299.db2.gz IVBFOGYPIWEWSL-UHFFFAOYSA-N -1 3 344.436 3.212 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@@H](O)CC1 ZINC000894866310 1309106976 /nfs/dbraw/zinc/10/69/76/1309106976.db2.gz POAKIYVBLPUPGH-LLVKDONJSA-N -1 3 334.641 3.155 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(C)c(NC(=O)N(C)C)c2)c([O-])c1O ZINC000794423666 1309524270 /nfs/dbraw/zinc/52/42/70/1309524270.db2.gz ZLBXNODFCKLWAD-UHFFFAOYSA-N -1 3 343.383 3.060 20 10 EGCDHM CC[C@H](NCc1ncnn1-c1ccccc1)c1ccc(F)cc1[O-] ZINC000796973674 1310118003 /nfs/dbraw/zinc/11/80/03/1310118003.db2.gz RCKVMIAQJRCRBN-INIZCTEOSA-N -1 3 326.375 3.353 20 10 EGCDHM NC(=O)c1cccc(CN(Cc2cc(Cl)cc(F)c2[O-])C2CC2)c1 ZINC000824608796 1320269404 /nfs/dbraw/zinc/26/94/04/1320269404.db2.gz QXPFLZPWYDVDST-UHFFFAOYSA-N -1 3 348.805 3.448 20 10 EGCDHM COc1ccc2c(c1)OCCN(Cc1cc(F)cc(C(C)=O)c1[O-])C2 ZINC000801966114 1316972711 /nfs/dbraw/zinc/97/27/11/1316972711.db2.gz BUYGFUCIMKHDLZ-UHFFFAOYSA-N -1 3 345.370 3.137 20 10 EGCDHM C[C@@H](NCc1cn(C)cn1)c1cc(Br)cc(Cl)c1[O-] ZINC000903351537 1317690459 /nfs/dbraw/zinc/69/04/59/1317690459.db2.gz LPNWOLOLIBTGJD-MRVPVSSYSA-N -1 3 344.640 3.392 20 10 EGCDHM CCNC(=O)OC[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000809691211 1317864992 /nfs/dbraw/zinc/86/49/92/1317864992.db2.gz JNJAQDKKLDXMIK-CYBMUJFWSA-N -1 3 326.824 3.146 20 10 EGCDHM Cc1nnsc1CN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000813885902 1318652048 /nfs/dbraw/zinc/65/20/48/1318652048.db2.gz YBQMJOVMAXVRBN-LURJTMIESA-N -1 3 346.225 3.305 20 10 EGCDHM C[C@H](NCc1ncn(-c2ccccc2)n1)c1cc(Cl)ccc1[O-] ZINC000815658025 1319039243 /nfs/dbraw/zinc/03/92/43/1319039243.db2.gz QKCPKXXYXJPXKR-LBPRGKRZSA-N -1 3 328.803 3.477 20 10 EGCDHM COc1ccccc1CN(CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000816491201 1319165807 /nfs/dbraw/zinc/16/58/07/1319165807.db2.gz CMKKEYWTGHYUTM-UHFFFAOYSA-N -1 3 339.794 3.188 20 10 EGCDHM CC(C)OC(=O)[C@@H]1CCCN1Cc1ccc(Br)cc1[O-] ZINC000824843730 1320290682 /nfs/dbraw/zinc/29/06/82/1320290682.db2.gz SZOJCXAPEVOYCE-ZDUSSCGKSA-N -1 3 342.233 3.071 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN[C@H]2C[C@H](C)n3ccnc32)c1 ZINC000825017653 1320304036 /nfs/dbraw/zinc/30/40/36/1320304036.db2.gz WOVDSCIWKPAPMR-GWCFXTLKSA-N -1 3 336.233 3.455 20 10 EGCDHM COC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])c1ccc(OC)cc1 ZINC000825555197 1320346779 /nfs/dbraw/zinc/34/67/79/1320346779.db2.gz FKMOIYZFGWQKRU-QGZVFWFLSA-N -1 3 349.814 3.367 20 10 EGCDHM O=[N+]([O-])c1ccc([O-])c(CNC[C@@H](OC2CCCC2)C(F)(F)F)c1 ZINC000850355576 1322232952 /nfs/dbraw/zinc/23/29/52/1322232952.db2.gz JKQYGXJLHISVIM-CQSZACIVSA-N -1 3 348.321 3.280 20 10 EGCDHM C[C@@H](NCc1cccnc1N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850502008 1322258761 /nfs/dbraw/zinc/25/87/61/1322258761.db2.gz RETKVMLCFPEVEQ-CYBMUJFWSA-N -1 3 342.399 3.146 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)c([O-])c1O ZINC000855549350 1325395967 /nfs/dbraw/zinc/39/59/67/1325395967.db2.gz BBANXLNRZFIFAK-INIZCTEOSA-N -1 3 327.380 3.418 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@H]1c1cnccn1 ZINC001203642028 1370198852 /nfs/dbraw/zinc/19/88/52/1370198852.db2.gz BDCKDWIIPXBDHI-AWEZNQCLSA-N -1 3 334.217 3.282 20 10 EGCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC(C)(C)C2)c1 ZINC001233307666 1376607771 /nfs/dbraw/zinc/60/77/71/1376607771.db2.gz MNBYQPZXWJCLDR-UHFFFAOYSA-N -1 3 342.233 3.173 20 10 EGCDHM Cc1cc(CN2CCCN(Cc3cccc(Cl)c3[O-])CC2)no1 ZINC001324905091 1387814777 /nfs/dbraw/zinc/81/47/77/1387814777.db2.gz SWLURXQKXISZDZ-UHFFFAOYSA-N -1 3 335.835 3.050 20 10 EGCDHM Cc1c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])ccn1C ZINC001191849265 1367612109 /nfs/dbraw/zinc/61/21/09/1367612109.db2.gz PSVQYCNVRLCQLT-UHFFFAOYSA-N -1 3 329.787 3.171 20 10 EGCDHM CN(CC(=O)c1ccccc1)Cc1cc(Br)ccc1[O-] ZINC001203650623 1370201499 /nfs/dbraw/zinc/20/14/99/1370201499.db2.gz YFQJWUXJQSGWIU-UHFFFAOYSA-N -1 3 334.213 3.469 20 10 EGCDHM Cc1ccc(C)n1-c1ccc(-c2noc(-c3cc(=O)[n-]cn3)n2)cc1 ZINC001212360473 1372694192 /nfs/dbraw/zinc/69/41/92/1372694192.db2.gz FAAGPJPBOUHLFJ-UHFFFAOYSA-N -1 3 333.351 3.307 20 10 EGCDHM COc1ccc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)cc1OC ZINC001216951295 1373370478 /nfs/dbraw/zinc/37/04/78/1373370478.db2.gz DGMSBINVYGEMMK-UHFFFAOYSA-N -1 3 348.742 3.485 20 10 EGCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC3CC(F)(F)C3)cccc21 ZINC001226379795 1375249191 /nfs/dbraw/zinc/24/91/91/1375249191.db2.gz IVVBVSSHLHKJDO-UHFFFAOYSA-N -1 3 330.286 3.344 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c1 ZINC001231562926 1376265009 /nfs/dbraw/zinc/26/50/09/1376265009.db2.gz GDTMBZZPHQKDRX-HHXXYDBFSA-N -1 3 345.439 3.118 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c1 ZINC001231562926 1376265014 /nfs/dbraw/zinc/26/50/14/1376265014.db2.gz GDTMBZZPHQKDRX-HHXXYDBFSA-N -1 3 345.439 3.118 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(COc4ccccc43)CC2)c1 ZINC001231567208 1376266929 /nfs/dbraw/zinc/26/69/29/1376266929.db2.gz XBYNHPRKOXZMRK-UHFFFAOYSA-N -1 3 339.391 3.017 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3[O-])C[C@@H]21 ZINC001231914783 1376350713 /nfs/dbraw/zinc/35/07/13/1376350713.db2.gz QHBNTNZRKGWDHA-OCCSQVGLSA-N -1 3 338.835 3.097 20 10 EGCDHM CC(C)(C)OC(=O)C[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079216 1376564207 /nfs/dbraw/zinc/56/42/07/1376564207.db2.gz ZYXGDEQHZDNBRL-LLVKDONJSA-N -1 3 327.371 3.224 20 10 EGCDHM Cc1ccnc(O[C@@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)c1 ZINC001233079636 1376565747 /nfs/dbraw/zinc/56/57/47/1376565747.db2.gz IFUOQZSJAOGIMP-CQSZACIVSA-N -1 3 334.366 3.417 20 10 EGCDHM [O-]c1ccc(F)c(F)c1CN1CCC(Oc2ccc(F)cn2)CC1 ZINC001233336503 1376621535 /nfs/dbraw/zinc/62/15/35/1376621535.db2.gz NYYQDIQBAOSSML-UHFFFAOYSA-N -1 3 338.329 3.248 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001236662358 1376959733 /nfs/dbraw/zinc/95/97/33/1376959733.db2.gz CQSZPBLLULFEGJ-IUODEOHRSA-N -1 3 340.261 3.464 20 10 EGCDHM CCN(C(C)=O)C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237802786 1376987215 /nfs/dbraw/zinc/98/72/15/1376987215.db2.gz PHPLVZNAZXMZCB-UHFFFAOYSA-N -1 3 328.815 3.018 20 10 EGCDHM COC(=O)CCCN(Cc1ccccc1)Cc1c([O-])cccc1F ZINC001137831762 1377623989 /nfs/dbraw/zinc/62/39/89/1377623989.db2.gz MKZQWGLCTWVLLZ-UHFFFAOYSA-N -1 3 331.387 3.487 20 10 EGCDHM CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c([O-])cccc1F ZINC001137837684 1377627121 /nfs/dbraw/zinc/62/71/21/1377627121.db2.gz QWOYILWEFZVLTM-ZDUSSCGKSA-N -1 3 338.423 3.363 20 10 EGCDHM C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1c([O-])cccc1F ZINC001137839962 1377628693 /nfs/dbraw/zinc/62/86/93/1377628693.db2.gz NXAIBXPARVDAGD-STQMWFEESA-N -1 3 338.423 3.361 20 10 EGCDHM CN(Cc1cncc(Br)c1)Cc1cccc(F)c1[O-] ZINC001138125454 1377680660 /nfs/dbraw/zinc/68/06/60/1377680660.db2.gz PVSUUFBSCOKYTC-UHFFFAOYSA-N -1 3 325.181 3.321 20 10 EGCDHM CC[C@H]1CN(Cc2cccc(F)c2[O-])CCN1C(=O)OC(C)(C)C ZINC001138127623 1377681820 /nfs/dbraw/zinc/68/18/20/1377681820.db2.gz IGFGYCLVEGYEEM-AWEZNQCLSA-N -1 3 338.423 3.363 20 10 EGCDHM CN(Cc1ccc(N2CCOCC2)cc1)Cc1c(F)ccc(F)c1[O-] ZINC001139683050 1377933690 /nfs/dbraw/zinc/93/36/90/1377933690.db2.gz HDKQECUCIBIEAS-UHFFFAOYSA-N -1 3 348.393 3.139 20 10 EGCDHM CCOC(=O)C1(C(C)C)CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139686629 1377934423 /nfs/dbraw/zinc/93/44/23/1377934423.db2.gz DEVJHPCTPMBROG-UHFFFAOYSA-N -1 3 341.398 3.472 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCC[C@@H]1c1ncccn1 ZINC001140102366 1378007603 /nfs/dbraw/zinc/00/76/03/1378007603.db2.gz NXTLPIFLGQSMEB-CYBMUJFWSA-N -1 3 334.217 3.282 20 10 EGCDHM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1c([O-])cccc1Cl ZINC001140342659 1378050352 /nfs/dbraw/zinc/05/03/52/1378050352.db2.gz SQTWFIVEAKYGQL-CQSZACIVSA-N -1 3 344.842 3.392 20 10 EGCDHM CN(Cc1ccc(-n2ccnc2)cc1)Cc1c([O-])cc(F)cc1F ZINC001140584633 1378090171 /nfs/dbraw/zinc/09/01/71/1378090171.db2.gz ZXDZVVRHKWOULE-UHFFFAOYSA-N -1 3 329.350 3.488 20 10 EGCDHM O=C(COC1CCCC1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001146771858 1378914810 /nfs/dbraw/zinc/91/48/10/1378914810.db2.gz HZCATYAHVJUHHD-UHFFFAOYSA-N -1 3 334.803 3.169 20 10 EGCDHM Cn1cnc2ccnc(NCc3cc(Cl)c4cccnc4c3[O-])c21 ZINC001168527844 1383930231 /nfs/dbraw/zinc/93/02/31/1383930231.db2.gz NEYFSOKZGYTUEV-UHFFFAOYSA-N -1 3 339.786 3.488 20 10 EGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1OC(F)F ZINC001339535391 1390058437 /nfs/dbraw/zinc/05/84/37/1390058437.db2.gz HBNYVOPRALNFBV-QMMMGPOBSA-N -1 3 341.285 3.329 20 10 EGCDHM CCS(=O)(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC001347794608 1391125488 /nfs/dbraw/zinc/12/54/88/1391125488.db2.gz UDGRWHYEYWDJSC-UHFFFAOYSA-N -1 3 325.817 3.451 20 10 EGCDHM C[C@]1(CO)CCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001353593266 1392045777 /nfs/dbraw/zinc/04/57/77/1392045777.db2.gz IKYIWOQCHKSRNW-CYBMUJFWSA-N -1 3 334.641 3.155 20 10 EGCDHM CC[N@H+](Cc1cc(F)ccc1[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428735 1447291599 /nfs/dbraw/zinc/29/15/99/1447291599.db2.gz SNKMMNRNZWBNPV-LBPRGKRZSA-N -1 3 341.390 3.295 20 10 EGCDHM CC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428735 1447291601 /nfs/dbraw/zinc/29/16/01/1447291601.db2.gz SNKMMNRNZWBNPV-LBPRGKRZSA-N -1 3 341.390 3.295 20 10 EGCDHM COc1cc(Cl)cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])c1O ZINC000325665476 971234895 /nfs/dbraw/zinc/23/48/95/971234895.db2.gz CNCIRWFLFKDUIP-HNNXBMFYSA-N -1 3 347.798 3.066 20 10 EGCDHM Cc1cc(Br)cc(C[NH2+]CCC(C)(C)C(=O)[O-])c1[O-] ZINC000818628901 978921939 /nfs/dbraw/zinc/92/19/39/978921939.db2.gz GIVIOMLRIKOVCZ-UHFFFAOYSA-N -1 3 330.222 3.054 20 10 EGCDHM COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599600781 993812233 /nfs/dbraw/zinc/81/22/33/993812233.db2.gz NBRDEFHYIXOYPA-OLZOCXBDSA-N -1 3 345.395 3.217 20 10 EGCDHM C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219053 994295082 /nfs/dbraw/zinc/29/50/82/994295082.db2.gz LSIMUYALECPSSQ-GTNSWQLSSA-N -1 3 326.396 3.401 20 10 EGCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC=CC1 ZINC000158066230 455264860 /nfs/dbraw/zinc/26/48/60/455264860.db2.gz IISSURDMRRDMIF-MRXNPFEDSA-N -1 3 334.847 3.092 20 10 EGCDHM CCOC[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093419077 454715612 /nfs/dbraw/zinc/71/56/12/454715612.db2.gz XLPVXTIYHGTRTL-LLVKDONJSA-N -1 3 328.796 3.202 20 10 EGCDHM C[C@@H](c1cccnc1)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180249164 455151675 /nfs/dbraw/zinc/15/16/75/455151675.db2.gz SQGCZJGSRRGGSP-AWEZNQCLSA-N -1 3 331.847 3.319 20 10 EGCDHM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(O)c1[O-])CCC2 ZINC000185860000 455636282 /nfs/dbraw/zinc/63/62/82/455636282.db2.gz BWWPVSFKPJBKTB-LBPRGKRZSA-N -1 3 332.425 3.266 20 10 EGCDHM C[C@H](NCc1cccnc1OCC(F)F)c1ccc(F)cc1[O-] ZINC000186199167 455715862 /nfs/dbraw/zinc/71/58/62/455715862.db2.gz KXSZCVBEMXLAID-JTQLQIEISA-N -1 3 326.318 3.421 20 10 EGCDHM CC(C)N1CC[C@@H](N[C@H](C)c2cc(Cl)c(Cl)cc2[O-])C1=O ZINC000192998256 455732455 /nfs/dbraw/zinc/73/24/55/455732455.db2.gz HIQVPEWWUZNZGB-NOZJJQNGSA-N -1 3 331.243 3.359 20 10 EGCDHM CCOC1(C)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000292879063 455765003 /nfs/dbraw/zinc/76/50/03/455765003.db2.gz XKDBEYYVHFCOIS-UHFFFAOYSA-N -1 3 328.796 3.345 20 10 EGCDHM COc1cc(Cl)cc(CN2CC(C)(C)[C@@H]2c2nccn2C)c1[O-] ZINC000294811700 455828976 /nfs/dbraw/zinc/82/89/76/455828976.db2.gz NWEXJWNRUAQNCY-HNNXBMFYSA-N -1 3 335.835 3.371 20 10 EGCDHM Cc1csc([C@@H](NC(=O)c2ccc(C)c(O)c2[O-])C(F)(F)F)n1 ZINC000295955952 455864369 /nfs/dbraw/zinc/86/43/69/455864369.db2.gz MMIJVNYIOARADE-LLVKDONJSA-N -1 3 346.330 3.205 20 10 EGCDHM CO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1(C)C ZINC000296014397 455866484 /nfs/dbraw/zinc/86/64/84/455866484.db2.gz MTCRWLBIPAZNAI-HNNXBMFYSA-N -1 3 325.836 3.495 20 10 EGCDHM CC(C)n1c(CCNC(=O)c2cccc(O)c2[O-])nc2ccccc21 ZINC000187109541 455870794 /nfs/dbraw/zinc/87/07/94/455870794.db2.gz GTEDMACZXXJSJY-UHFFFAOYSA-N -1 3 339.395 3.001 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N(CCC(F)(F)F)CC(F)(F)F ZINC000279799221 455873716 /nfs/dbraw/zinc/87/37/16/455873716.db2.gz PBAKESMVXZFBKB-UHFFFAOYSA-N -1 3 331.212 3.055 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC=C(c3cccnc3)C2)c1[O-] ZINC000289312203 456121723 /nfs/dbraw/zinc/12/17/23/456121723.db2.gz JHFJGQUWWSXIDI-UHFFFAOYSA-N -1 3 326.371 3.418 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000271211930 456174903 /nfs/dbraw/zinc/17/49/03/456174903.db2.gz VQMGIZHTEGDHCF-LBPRGKRZSA-N -1 3 340.851 3.392 20 10 EGCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c([O-])c1O ZINC000273425092 456229729 /nfs/dbraw/zinc/22/97/29/456229729.db2.gz TYEUCJSEGKVGBW-HOCLYGCPSA-N -1 3 345.370 3.195 20 10 EGCDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464249 456231865 /nfs/dbraw/zinc/23/18/65/456231865.db2.gz DJNREXOSEJCMMG-SNVBAGLBSA-N -1 3 347.327 3.068 20 10 EGCDHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000275032117 456269293 /nfs/dbraw/zinc/26/92/93/456269293.db2.gz UHMLVLIHXBBYKO-CYBMUJFWSA-N -1 3 343.379 3.298 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c([O-])c1O ZINC000370141380 457560123 /nfs/dbraw/zinc/56/01/23/457560123.db2.gz SAGDTAJMGCKLRW-OAHLLOKOSA-N -1 3 329.371 3.393 20 10 EGCDHM CC[C@@H](N[C@@H](C)c1nncn1C)c1cc(Br)ccc1[O-] ZINC000037017380 522917696 /nfs/dbraw/zinc/91/76/96/522917696.db2.gz IJTPXQGYCQUZBO-JOYOIKCWSA-N -1 3 339.237 3.085 20 10 EGCDHM C[C@H](NC(=O)COC(=O)c1cc([O-])cs1)c1ccc(Cl)cc1 ZINC000731912288 575218617 /nfs/dbraw/zinc/21/86/17/575218617.db2.gz UDYMAAKLUVQVOU-VIFPVBQESA-N -1 3 339.800 3.141 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000732290714 575255869 /nfs/dbraw/zinc/25/58/69/575255869.db2.gz YCJMWISCNMDATA-MRXNPFEDSA-N -1 3 335.400 3.179 20 10 EGCDHM CCn1cc(CN(C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)cn1 ZINC000737301314 576201355 /nfs/dbraw/zinc/20/13/55/576201355.db2.gz RJCRSWWJTXIDFO-UHFFFAOYSA-N -1 3 339.395 3.092 20 10 EGCDHM Cc1oc(C(=O)[O-])cc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000738958144 576370756 /nfs/dbraw/zinc/37/07/56/576370756.db2.gz RSKULMLPLNWHNR-INIZCTEOSA-N -1 3 345.395 3.173 20 10 EGCDHM O=C([O-])CC1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCOCC1 ZINC000833206331 601561379 /nfs/dbraw/zinc/56/13/79/601561379.db2.gz QEWWFIYIGQIYMP-UHFFFAOYSA-N -1 3 341.407 3.173 20 10 EGCDHM C[C@@H](NCc1nn(C)cc1Cl)c1ccc(Br)cc1[O-] ZINC000834881867 1293162560 /nfs/dbraw/zinc/16/25/60/1293162560.db2.gz CMHSDXVGLPDZJU-MRVPVSSYSA-N -1 3 344.640 3.392 20 10 EGCDHM Cc1c([O-])ccc2c(CN(C)c3ccc4c(c3)OCO4)cc(=O)oc12 ZINC000121430906 1293371269 /nfs/dbraw/zinc/37/12/69/1293371269.db2.gz QGWFEFWLHYOFRV-UHFFFAOYSA-N -1 3 339.347 3.172 20 10 EGCDHM C[C@H](c1cccnc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000126344490 1293531606 /nfs/dbraw/zinc/53/16/06/1293531606.db2.gz AULJAIKNXDBPGH-CQSZACIVSA-N -1 3 331.847 3.319 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N(CCc1ccccc1)Cc1cccnc1 ZINC000188369515 1295455648 /nfs/dbraw/zinc/45/56/48/1295455648.db2.gz CZSXYVOPVCTYHA-UHFFFAOYSA-N -1 3 348.402 3.378 20 10 EGCDHM CC[C@H](NCc1nonc1C)c1cc(Br)ccc1[O-] ZINC000872134956 1296758164 /nfs/dbraw/zinc/75/81/64/1296758164.db2.gz AOBPKTKIFBTNKN-NSHDSACASA-N -1 3 326.194 3.087 20 10 EGCDHM Cc1nocc1CNCc1cc(Cl)cc(Br)c1[O-] ZINC000708125660 1298236098 /nfs/dbraw/zinc/23/60/98/1298236098.db2.gz XCQXJAKCOPVSSQ-UHFFFAOYSA-N -1 3 331.597 3.394 20 10 EGCDHM COC1(C)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715737389 1298285894 /nfs/dbraw/zinc/28/58/94/1298285894.db2.gz IIZPLQVJOSLSPQ-UHFFFAOYSA-N -1 3 332.213 3.295 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H](OCc2ccccn2)C1 ZINC000877645137 1299450770 /nfs/dbraw/zinc/45/07/70/1299450770.db2.gz BMPFNEBPHYWCIF-AWEZNQCLSA-N -1 3 336.794 3.371 20 10 EGCDHM COC(=O)[C@H](c1ccccc1)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000750819471 1299457832 /nfs/dbraw/zinc/45/78/32/1299457832.db2.gz BNXWNWSCBNVBAI-KRWDZBQOSA-N -1 3 345.370 3.080 20 10 EGCDHM O=C([O-])[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)c(F)c1 ZINC000756378349 1300479499 /nfs/dbraw/zinc/47/94/99/1300479499.db2.gz DUEHKYJYEVELJR-INIZCTEOSA-N -1 3 335.762 3.330 20 10 EGCDHM COc1cccc2c1OCC[C@H]2N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756703048 1300550797 /nfs/dbraw/zinc/55/07/97/1300550797.db2.gz DWELTHBRTYTHSJ-IAQYHMDHSA-N -1 3 344.367 3.483 20 10 EGCDHM C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[n-]1)c1cc(F)cc(F)c1[O-] ZINC000756741074 1300558546 /nfs/dbraw/zinc/55/85/46/1300558546.db2.gz BKJCQPPUOXIHNY-SECBINFHSA-N -1 3 348.328 3.445 20 10 EGCDHM Cc1nnc(CN[C@H](C)c2cc(Br)ccc2[O-])s1 ZINC000757639825 1300701912 /nfs/dbraw/zinc/70/19/12/1300701912.db2.gz UXUCZKGCLXGJFR-SSDOTTSWSA-N -1 3 328.235 3.165 20 10 EGCDHM CC[C@@H](NCc1cc(F)cc(F)c1[O-])c1nnc2n1CCCCC2 ZINC000882959314 1302183630 /nfs/dbraw/zinc/18/36/30/1302183630.db2.gz BXVKUQKNZRGFGZ-CQSZACIVSA-N -1 3 336.386 3.229 20 10 EGCDHM COC[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccc(F)c(F)c1 ZINC000883082794 1302238680 /nfs/dbraw/zinc/23/86/80/1302238680.db2.gz QPGKCPZHEQTWEO-OAHLLOKOSA-N -1 3 329.293 3.426 20 10 EGCDHM CCOC(=O)CN(Cc1cccc(Br)c1[O-])CC(C)C ZINC000768762686 1302972546 /nfs/dbraw/zinc/97/25/46/1302972546.db2.gz SLOPFDMLYJABAW-UHFFFAOYSA-N -1 3 344.249 3.176 20 10 EGCDHM CCN(CC)c1ccc(CNC(=O)c2c([O-])cccc2O)cc1F ZINC000770408406 1303263516 /nfs/dbraw/zinc/26/35/16/1303263516.db2.gz KHLBIFMJRWBBRW-UHFFFAOYSA-N -1 3 332.375 3.013 20 10 EGCDHM C[C@H](N[C@H](CCO)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000886802076 1303603440 /nfs/dbraw/zinc/60/34/40/1303603440.db2.gz YHZIMDVGSZHGLJ-WRWORJQWSA-N -1 3 342.155 3.119 20 10 EGCDHM CC[C@@H](C)n1ncc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C ZINC000775115933 1303911893 /nfs/dbraw/zinc/91/18/93/1303911893.db2.gz PRJXRSXLVVWEBK-SNVBAGLBSA-N -1 3 334.376 3.397 20 10 EGCDHM COc1c([O-])c(CN2CCc3cc(C)ccc3C2)ccc1[N+](=O)[O-] ZINC000775111964 1303912216 /nfs/dbraw/zinc/91/22/16/1303912216.db2.gz QSWPWNDIEVQNOA-UHFFFAOYSA-N -1 3 328.368 3.176 20 10 EGCDHM CC[C@@H](NCc1nnnn1-c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000775495805 1303974106 /nfs/dbraw/zinc/97/41/06/1303974106.db2.gz CFJGZJQBVAJQPG-OAHLLOKOSA-N -1 3 343.818 3.262 20 10 EGCDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000775648362 1304004252 /nfs/dbraw/zinc/00/42/52/1304004252.db2.gz FPPWHIRVOQYJGY-CYBMUJFWSA-N -1 3 340.851 3.487 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)c([O-])c1O ZINC000780911856 1304751408 /nfs/dbraw/zinc/75/14/08/1304751408.db2.gz RLQBENBPLRUPTH-UHFFFAOYSA-N -1 3 337.379 3.273 20 10 EGCDHM NC(=O)N1CCCc2ccc(NCc3c([O-])cccc3Cl)cc21 ZINC000785562502 1305378806 /nfs/dbraw/zinc/37/88/06/1305378806.db2.gz NONADDHRVJFOCY-UHFFFAOYSA-N -1 3 331.803 3.489 20 10 EGCDHM Cc1ccc(N2CC[C@@H](NCc3c([O-])ccc(Cl)c3F)C2=O)cc1 ZINC000790973342 1308900481 /nfs/dbraw/zinc/90/04/81/1308900481.db2.gz MNSBLRXXDFDFEW-OAHLLOKOSA-N -1 3 348.805 3.388 20 10 EGCDHM O=C1[C@@H](NCc2c([O-])ccc(Cl)c2F)CCN1C1CCCCC1 ZINC000790977672 1308901730 /nfs/dbraw/zinc/90/17/30/1308901730.db2.gz NSQZIQFJKPXNMB-AWEZNQCLSA-N -1 3 340.826 3.208 20 10 EGCDHM CC(C)OCCOC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894935240 1309129578 /nfs/dbraw/zinc/12/95/78/1309129578.db2.gz SGKLKKWPTAXINJ-UHFFFAOYSA-N -1 3 329.387 3.076 20 10 EGCDHM CCOC(=O)N(C)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816502560 1319168123 /nfs/dbraw/zinc/16/81/23/1319168123.db2.gz GYZNOYLXJDIDNO-UHFFFAOYSA-N -1 3 344.814 3.237 20 10 EGCDHM COc1ccccc1[C@@H](CO)NCc1cc(Cl)c(F)cc1[O-] ZINC000816551258 1319181180 /nfs/dbraw/zinc/18/11/80/1319181180.db2.gz UVEAOJQYLIPJDI-CQSZACIVSA-N -1 3 325.767 3.017 20 10 EGCDHM Cc1ncc(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])o1 ZINC000840794030 1321149532 /nfs/dbraw/zinc/14/95/32/1321149532.db2.gz BVCLOOYQKFWYQL-ZETCQYMHSA-N -1 3 329.169 3.441 20 10 EGCDHM CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000841443899 1321272341 /nfs/dbraw/zinc/27/23/41/1321272341.db2.gz JGYZEKPSTRKSFD-CYBMUJFWSA-N -1 3 349.427 3.214 20 10 EGCDHM CC[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1cc(Cl)ccc1[O-] ZINC000848556723 1321974930 /nfs/dbraw/zinc/97/49/30/1321974930.db2.gz CPQYGHUJDQXYKO-GXTWGEPZSA-N -1 3 336.823 3.256 20 10 EGCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(F)c2)c(C)c1C ZINC001194863962 1368336668 /nfs/dbraw/zinc/33/66/68/1368336668.db2.gz KQQFDZUCCVOKRC-UHFFFAOYSA-N -1 3 339.388 3.266 20 10 EGCDHM [O-]c1cccnc1CNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC001196204447 1368567678 /nfs/dbraw/zinc/56/76/78/1368567678.db2.gz JOPGKUCQSCNMHD-UHFFFAOYSA-N -1 3 327.331 3.293 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@H]1c1ncccn1 ZINC001203648593 1370200185 /nfs/dbraw/zinc/20/01/85/1370200185.db2.gz NAVDTFMNPLKQRZ-ZDUSSCGKSA-N -1 3 334.217 3.282 20 10 EGCDHM Cc1ccc([C@@]2(C)CN(Cc3cc(C(=O)[O-])ccc3O)CCO2)cc1 ZINC001231566057 1376266574 /nfs/dbraw/zinc/26/65/74/1376266574.db2.gz OROVFBMSPGCCAS-HXUWFJFHSA-N -1 3 341.407 3.146 20 10 EGCDHM CC(C)N(CCNC(=O)OC(C)(C)C)Cc1c([O-])cccc1F ZINC001137839025 1377626762 /nfs/dbraw/zinc/62/67/62/1377626762.db2.gz OOEFLTYHIOQCIT-UHFFFAOYSA-N -1 3 326.412 3.266 20 10 EGCDHM [O-]c1cccc(F)c1CN1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001137837632 1377627170 /nfs/dbraw/zinc/62/71/70/1377627170.db2.gz OOMVCJASVXUOBO-UHFFFAOYSA-N -1 3 337.782 3.018 20 10 EGCDHM CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccc(F)c1[O-] ZINC001138127770 1377681854 /nfs/dbraw/zinc/68/18/54/1377681854.db2.gz OZCWKUOBXNSFBQ-AWEZNQCLSA-N -1 3 338.423 3.363 20 10 EGCDHM CC(C)(C)OC(=O)N1CC(N(Cc2cccc(F)c2[O-])C2CC2)C1 ZINC001138129683 1377682646 /nfs/dbraw/zinc/68/26/46/1377682646.db2.gz QWHSMVFADDIIOE-UHFFFAOYSA-N -1 3 336.407 3.115 20 10 EGCDHM CCCCN(CC(=O)OCC)Cc1c([O-])cccc1Br ZINC001140103720 1378008896 /nfs/dbraw/zinc/00/88/96/1378008896.db2.gz SRPQBQXQJLXYKG-UHFFFAOYSA-N -1 3 344.249 3.320 20 10 EGCDHM COc1ccc(CN2CCN(Cc3c([O-])cccc3Cl)CC2)cc1 ZINC001140344994 1378050455 /nfs/dbraw/zinc/05/04/55/1378050455.db2.gz PDEAHYJEWNYUSB-UHFFFAOYSA-N -1 3 346.858 3.372 20 10 EGCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@H](COc2ccccc2)C1 ZINC001140466104 1378068546 /nfs/dbraw/zinc/06/85/46/1378068546.db2.gz XETLFYOCOSQSAS-KRWDZBQOSA-N -1 3 333.815 3.325 20 10 EGCDHM Cc1cccc(O[C@H]2CCCN(Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140585770 1378090375 /nfs/dbraw/zinc/09/03/75/1378090375.db2.gz UHYKRXYTMOAAIB-AWEZNQCLSA-N -1 3 334.366 3.417 20 10 EGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@]1(C)O ZINC001141367536 1378312240 /nfs/dbraw/zinc/31/22/40/1378312240.db2.gz DSXDFSOXLYPESZ-OTYXRUKQSA-N -1 3 348.668 3.401 20 10 EGCDHM [O-]c1cc(F)c(F)cc1CN1CCN(CCc2ccccc2)CC1 ZINC001142520197 1378452195 /nfs/dbraw/zinc/45/21/95/1378452195.db2.gz DBLFUWBGVCNSAR-UHFFFAOYSA-N -1 3 332.394 3.031 20 10 EGCDHM CCOC(=O)C1(C(C)C)CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142531342 1378453929 /nfs/dbraw/zinc/45/39/29/1378453929.db2.gz VGRHXRMJYWLGMO-UHFFFAOYSA-N -1 3 341.398 3.472 20 10 EGCDHM C[C@@]1(O)CCCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144298389 1378711757 /nfs/dbraw/zinc/71/17/57/1378711757.db2.gz CTPBDESITXNWEH-CQSZACIVSA-N -1 3 332.213 3.031 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCc2c(cccc2C(F)(F)F)C1 ZINC001148219035 1379134687 /nfs/dbraw/zinc/13/46/87/1379134687.db2.gz SDXSKGCRSLZLGF-UHFFFAOYSA-N -1 3 337.297 3.315 20 10 EGCDHM C[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1cccc(Cl)c1F ZINC001148586746 1379218235 /nfs/dbraw/zinc/21/82/35/1379218235.db2.gz WGLOOGOWSQVGSM-SSDOTTSWSA-N -1 3 325.723 3.087 20 10 EGCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001148588562 1379218315 /nfs/dbraw/zinc/21/83/15/1379218315.db2.gz UEULCKXIYOPZCU-CYBMUJFWSA-N -1 3 335.306 3.059 20 10 EGCDHM Cn1cnc2c1ccnc2NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157724664 1381014908 /nfs/dbraw/zinc/01/49/08/1381014908.db2.gz RRGFZEFEKTYVDG-UHFFFAOYSA-N -1 3 339.786 3.488 20 10 EGCDHM COc1cc(NCc2cc(Cl)c3cccnc3c2[O-])nc(C)n1 ZINC001157726220 1381016574 /nfs/dbraw/zinc/01/65/74/1381016574.db2.gz HGRBQEBYWWUXPF-UHFFFAOYSA-N -1 3 330.775 3.313 20 10 EGCDHM COCc1nc(C)cc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168521698 1383928906 /nfs/dbraw/zinc/92/89/06/1383928906.db2.gz HDIMJALANJWQNZ-UHFFFAOYSA-N -1 3 344.802 3.451 20 10 EGCDHM O=C(/C=C/c1nccs1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177527046 1385986303 /nfs/dbraw/zinc/98/63/03/1385986303.db2.gz ZTUNNKACUKSOMZ-ONEGZZNKSA-N -1 3 345.811 3.380 20 10 EGCDHM CCC[C@](C)([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)[O-] ZINC001595560175 981446876 /nfs/dbraw/zinc/44/68/76/981446876.db2.gz UBZVXPDDEMMRRZ-AWEZNQCLSA-N -1 3 330.222 3.196 20 10 EGCDHM CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cc(C(=O)[O-])ccc2O)n[nH]1 ZINC001595015299 982960702 /nfs/dbraw/zinc/96/07/02/982960702.db2.gz HWCRWQAGBWDWIC-AXFHLTTASA-N -1 3 332.404 3.134 20 10 EGCDHM C[C@@H]([NH2+]CCOc1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272720 994613504 /nfs/dbraw/zinc/61/35/04/994613504.db2.gz SYUBYMGKZZIOQP-LLVKDONJSA-N -1 3 335.787 3.473 20 10 EGCDHM C[C@H]([NH2+]Cc1cccc2c1CCCN2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593304588 994749769 /nfs/dbraw/zinc/74/97/69/994749769.db2.gz OMRVGAYAXIMXKV-LBPRGKRZSA-N -1 3 326.396 3.299 20 10 EGCDHM Cc1ccoc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158096344 455268535 /nfs/dbraw/zinc/26/85/35/455268535.db2.gz IJJBGLXUZHRVEA-HNNXBMFYSA-N -1 3 348.830 3.341 20 10 EGCDHM Cc1c(NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])cccc1[N+](=O)[O-] ZINC000264755197 455276472 /nfs/dbraw/zinc/27/64/72/455276472.db2.gz XROAOTCBPKZZBA-CYBMUJFWSA-N -1 3 343.383 3.068 20 10 EGCDHM Cc1cccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1[O-] ZINC000078345656 454237521 /nfs/dbraw/zinc/23/75/21/454237521.db2.gz HTDWJEDIAZUIQW-MRXNPFEDSA-N -1 3 341.407 3.228 20 10 EGCDHM CCc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1[O-] ZINC000091986505 454500061 /nfs/dbraw/zinc/50/00/61/454500061.db2.gz SPLCBNGXNORIAX-UHFFFAOYSA-N -1 3 326.396 3.060 20 10 EGCDHM COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182520379 455531582 /nfs/dbraw/zinc/53/15/82/455531582.db2.gz TVADDYQHPWMEGA-CYBMUJFWSA-N -1 3 329.396 3.118 20 10 EGCDHM Cc1cc(CN[C@H](C)c2cc(F)ccc2[O-])nc(N2CCCC2)n1 ZINC000293655345 455793439 /nfs/dbraw/zinc/79/34/39/455793439.db2.gz LOEKKZGVNIOOIA-CYBMUJFWSA-N -1 3 330.407 3.081 20 10 EGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1CC(F)(F)C1 ZINC000294849988 455830320 /nfs/dbraw/zinc/83/03/20/455830320.db2.gz CAMUXERJGIQXQJ-UHFFFAOYSA-N -1 3 333.762 3.066 20 10 EGCDHM CCc1nc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cs1 ZINC000278521282 455838741 /nfs/dbraw/zinc/83/87/41/455838741.db2.gz SAVXKQQKQBIISW-VIFPVBQESA-N -1 3 337.401 3.179 20 10 EGCDHM COc1c([O-])c(CN[C@@H](C)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000278827035 455849459 /nfs/dbraw/zinc/84/94/59/455849459.db2.gz IGHHMYUROWKICI-VIFPVBQESA-N -1 3 338.310 3.438 20 10 EGCDHM COc1c([O-])c(CNc2ccc(N(C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000278851906 455850358 /nfs/dbraw/zinc/85/03/58/455850358.db2.gz KZDOHVANQMZSFO-UHFFFAOYSA-N -1 3 331.372 3.296 20 10 EGCDHM COc1cccc(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000187657019 455934949 /nfs/dbraw/zinc/93/49/49/455934949.db2.gz MQORELXBAJGVAJ-UHFFFAOYSA-N -1 3 327.380 3.126 20 10 EGCDHM O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000296757630 456030494 /nfs/dbraw/zinc/03/04/94/456030494.db2.gz FAXNRLGYAXCIPT-SFHVURJKSA-N -1 3 341.407 3.272 20 10 EGCDHM O=C([O-])c1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000296757630 456030499 /nfs/dbraw/zinc/03/04/99/456030499.db2.gz FAXNRLGYAXCIPT-SFHVURJKSA-N -1 3 341.407 3.272 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN(CCCO)Cc2ccccn2)c1[O-] ZINC000286945681 456057838 /nfs/dbraw/zinc/05/78/38/456057838.db2.gz OBCVLPIDVPGKPE-UHFFFAOYSA-N -1 3 348.830 3.028 20 10 EGCDHM COc1cc(Cl)cc(CN2CCCC[C@@H]2c2nc(C)no2)c1[O-] ZINC000289382329 456122585 /nfs/dbraw/zinc/12/25/85/456122585.db2.gz CASMKOSXDRXNRA-CYBMUJFWSA-N -1 3 337.807 3.473 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OC3COC3)cc2)c1 ZINC000275735043 456300439 /nfs/dbraw/zinc/30/04/39/456300439.db2.gz PRIXXFIECPGDIY-LBPRGKRZSA-N -1 3 343.379 3.130 20 10 EGCDHM CC(=O)c1cc(F)cc(CN[C@]2(CO)CCCc3ccccc32)c1[O-] ZINC000281852092 456340902 /nfs/dbraw/zinc/34/09/02/456340902.db2.gz ZGXRYRZLDZDRPC-FQEVSTJZSA-N -1 3 343.398 3.048 20 10 EGCDHM CC[C@H](N[C@H](C)c1ncnn1C)c1cc(Br)ccc1[O-] ZINC000276718492 456559889 /nfs/dbraw/zinc/55/98/89/456559889.db2.gz XJVLDRFZVCBKHO-SKDRFNHKSA-N -1 3 339.237 3.085 20 10 EGCDHM C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276933966 456624141 /nfs/dbraw/zinc/62/41/41/456624141.db2.gz OSSXUTMVWUPEPW-MLGOLLRUSA-N -1 3 346.377 3.122 20 10 EGCDHM COc1ccc(NC(=S)NN=c2nc(C)cc(C)[n-]2)cc1Cl ZINC000726894323 574605263 /nfs/dbraw/zinc/60/52/63/574605263.db2.gz ROEHTVCFGULIOH-UHFFFAOYSA-N -1 3 337.836 3.069 20 10 EGCDHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)c1C ZINC000731910854 575218694 /nfs/dbraw/zinc/21/86/94/575218694.db2.gz VMJDQEOILGUZKT-SNVBAGLBSA-N -1 3 335.381 3.029 20 10 EGCDHM O=C(COC(=O)c1cc([O-])cs1)Nc1cccc2ccccc21 ZINC000731910593 575218735 /nfs/dbraw/zinc/21/87/35/575218735.db2.gz SZRXCYUOZBRPBE-UHFFFAOYSA-N -1 3 327.361 3.402 20 10 EGCDHM O=C(NCCc1ccc(Br)s1)c1cc([O-])cs1 ZINC000732263390 575250199 /nfs/dbraw/zinc/25/01/99/575250199.db2.gz DVWNLFOIYJDYQN-UHFFFAOYSA-N -1 3 332.244 3.250 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000732284018 575255011 /nfs/dbraw/zinc/25/50/11/575255011.db2.gz GTCPFLGLHNWCEJ-CYBMUJFWSA-N -1 3 331.393 3.202 20 10 EGCDHM CC1(C)CN(C(=O)c2cc([O-])cs2)CCN1Cc1ccccc1 ZINC000732287481 575255306 /nfs/dbraw/zinc/25/53/06/575255306.db2.gz CLWSGFBUQZTKCV-UHFFFAOYSA-N -1 3 330.453 3.190 20 10 EGCDHM CC(C)c1ccc(CCNC(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000732354179 575261611 /nfs/dbraw/zinc/26/16/11/575261611.db2.gz GEZMCLBDVLSQTO-UHFFFAOYSA-N -1 3 347.436 3.093 20 10 EGCDHM COCCCN(CCc1ccc(OC)cc1)C(=O)c1cc([O-])cs1 ZINC000734555501 575512409 /nfs/dbraw/zinc/51/24/09/575512409.db2.gz VNPJOCYLUFWJQN-UHFFFAOYSA-N -1 3 349.452 3.184 20 10 EGCDHM O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cc([O-])cs1 ZINC000735700934 575701594 /nfs/dbraw/zinc/70/15/94/575701594.db2.gz PGVQABUGUMLPAH-NSHDSACASA-N -1 3 332.208 3.224 20 10 EGCDHM CCN(CC(=O)OC(C)(C)C)Cc1cc(Br)ccc1[O-] ZINC000743873228 576818053 /nfs/dbraw/zinc/81/80/53/576818053.db2.gz KPLZFHUADKZWCY-UHFFFAOYSA-N -1 3 344.249 3.318 20 10 EGCDHM CCc1noc(CN(CC)Cc2cc(Br)ccc2[O-])n1 ZINC000743870910 576818075 /nfs/dbraw/zinc/81/80/75/576818075.db2.gz HAKLDVOACDAOIB-UHFFFAOYSA-N -1 3 340.221 3.122 20 10 EGCDHM CCC(F)(F)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000830543833 1292730978 /nfs/dbraw/zinc/73/09/78/1292730978.db2.gz GABIQOCUUKOAEU-ZDUSSCGKSA-N -1 3 346.805 3.172 20 10 EGCDHM CCC(F)(F)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000830543832 1292731749 /nfs/dbraw/zinc/73/17/49/1292731749.db2.gz GABIQOCUUKOAEU-CYBMUJFWSA-N -1 3 346.805 3.172 20 10 EGCDHM CC(C)CO[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000091964422 1292851213 /nfs/dbraw/zinc/85/12/13/1292851213.db2.gz UNDGPGBSLJYOBQ-CYBMUJFWSA-N -1 3 328.250 3.402 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2c2ccc(F)cc2)c1[O-] ZINC000832116720 1292959204 /nfs/dbraw/zinc/95/92/04/1292959204.db2.gz LMMFCVRDQJIWSD-SFHVURJKSA-N -1 3 347.361 3.447 20 10 EGCDHM O=C(c1ccc(F)cc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000128766006 1293604488 /nfs/dbraw/zinc/60/44/88/1293604488.db2.gz IJPBTBWICTYHEY-UHFFFAOYSA-N -1 3 348.805 3.143 20 10 EGCDHM COc1cccc2c1CCN(Cc1cc(F)cc(C(C)=O)c1[O-])C2 ZINC000182681316 1295068003 /nfs/dbraw/zinc/06/80/03/1295068003.db2.gz HTTHHRSHNWSIOX-UHFFFAOYSA-N -1 3 329.371 3.301 20 10 EGCDHM O=C(Nc1ccccc1NCC(F)(F)F)c1cccc(O)c1[O-] ZINC000187001835 1295360606 /nfs/dbraw/zinc/36/06/06/1295360606.db2.gz NYIFADKUHOBSHU-UHFFFAOYSA-N -1 3 326.274 3.324 20 10 EGCDHM Cc1cccc2c1N[C@@H](c1ccc(Br)cc1[O-])NC2=O ZINC000877845134 1299607606 /nfs/dbraw/zinc/60/76/06/1299607606.db2.gz CYWGMNZQRKPDDA-CQSZACIVSA-N -1 3 333.185 3.317 20 10 EGCDHM COc1cccc2c1OCC[C@H]2N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756703053 1300550581 /nfs/dbraw/zinc/55/05/81/1300550581.db2.gz DWELTHBRTYTHSJ-XHDPSFHLSA-N -1 3 344.367 3.483 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(NC(C)=O)cc2)c1 ZINC000756866297 1300581240 /nfs/dbraw/zinc/58/12/40/1300581240.db2.gz ZTHPLWYOAKRAIR-NSHDSACASA-N -1 3 328.368 3.310 20 10 EGCDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768163498 1302842511 /nfs/dbraw/zinc/84/25/11/1302842511.db2.gz PZKVQJMVDFBJBF-UHFFFAOYSA-N -1 3 347.802 3.276 20 10 EGCDHM C[C@@H](N[C@@H](CC(=O)N(C)C)c1ccccc1)c1c([O-])cccc1F ZINC000886511603 1303481425 /nfs/dbraw/zinc/48/14/25/1303481425.db2.gz YIYIAKNCPBZEAU-CJNGLKHVSA-N -1 3 330.403 3.402 20 10 EGCDHM C[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1c([O-])cccc1F ZINC000886547637 1303495439 /nfs/dbraw/zinc/49/54/39/1303495439.db2.gz PBIRBFJOPLHAHB-FZMZJTMJSA-N -1 3 332.350 3.127 20 10 EGCDHM O=C1CN(Cc2cc(F)ccc2[O-])CCN1Cc1cccc(Cl)c1 ZINC000779030001 1304520882 /nfs/dbraw/zinc/52/08/82/1304520882.db2.gz VJQSVFKDJVONHY-UHFFFAOYSA-N -1 3 348.805 3.029 20 10 EGCDHM Cc1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c([O-])c1O ZINC000780874210 1304746683 /nfs/dbraw/zinc/74/66/83/1304746683.db2.gz YOYIGJCVBQQMPO-OAHLLOKOSA-N -1 3 343.379 3.216 20 10 EGCDHM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)co1 ZINC000780934758 1304753445 /nfs/dbraw/zinc/75/34/45/1304753445.db2.gz ABLDLEJBWYQRIV-MRXNPFEDSA-N -1 3 348.830 3.341 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC(CCO)CC1 ZINC000893922056 1306131669 /nfs/dbraw/zinc/13/16/69/1306131669.db2.gz YTBCAXRINBGXOU-UHFFFAOYSA-N -1 3 348.668 3.403 20 10 EGCDHM O=C1[C@H](NCc2c([O-])ccc(Cl)c2F)CCN1C1CCCCC1 ZINC000790977673 1308902366 /nfs/dbraw/zinc/90/23/66/1308902366.db2.gz NSQZIQFJKPXNMB-CQSZACIVSA-N -1 3 340.826 3.208 20 10 EGCDHM CO[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1C ZINC000894905887 1309122070 /nfs/dbraw/zinc/12/20/70/1309122070.db2.gz WMSKNFIVMQTZPR-NOZJJQNGSA-N -1 3 332.213 3.151 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000792167761 1309134914 /nfs/dbraw/zinc/13/49/14/1309134914.db2.gz QLBKESOYQROZGB-SKDRFNHKSA-N -1 3 327.705 3.072 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](CO)Cc3ccccc32)c1[O-] ZINC000794579924 1309550587 /nfs/dbraw/zinc/55/05/87/1309550587.db2.gz PXMYUGROARSWPB-CYBMUJFWSA-N -1 3 345.826 3.419 20 10 EGCDHM CC[C@H](Nc1ccc(N2CCOCC2)cn1)c1ccc(F)cc1[O-] ZINC000796855508 1310100836 /nfs/dbraw/zinc/10/08/36/1310100836.db2.gz JMSUROFMYMRVPW-INIZCTEOSA-N -1 3 331.391 3.326 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@]1(CO)CCCc2ccccc21 ZINC000799344191 1310530832 /nfs/dbraw/zinc/53/08/32/1310530832.db2.gz SVLLFJRFBIDICT-SFHVURJKSA-N -1 3 335.806 3.498 20 10 EGCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H](C2CC2)O1 ZINC000825738424 1320359478 /nfs/dbraw/zinc/35/94/78/1320359478.db2.gz NXAQOSLYYWILAT-BMIGLBTASA-N -1 3 326.234 3.154 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000816516722 1319173349 /nfs/dbraw/zinc/17/33/49/1319173349.db2.gz OHWWHBOFBKPDLE-ZDUSSCGKSA-N -1 3 341.732 3.320 20 10 EGCDHM CN(CC(F)F)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816516899 1319173832 /nfs/dbraw/zinc/17/38/32/1319173832.db2.gz VXZOERMFZZIVGN-UHFFFAOYSA-N -1 3 336.785 3.346 20 10 EGCDHM CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1[O-] ZINC000822525795 1320094294 /nfs/dbraw/zinc/09/42/94/1320094294.db2.gz MNZHWIXECADHJN-QGZVFWFLSA-N -1 3 344.842 3.109 20 10 EGCDHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(N2CCCCC2)cc1 ZINC000822819494 1320126755 /nfs/dbraw/zinc/12/67/55/1320126755.db2.gz ULBGAFHZQLMCOI-UHFFFAOYSA-N -1 3 342.414 3.381 20 10 EGCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])CC2(CCC2)O1 ZINC000843435907 1321518477 /nfs/dbraw/zinc/51/84/77/1321518477.db2.gz VWPANLGNVOAAST-LLVKDONJSA-N -1 3 326.234 3.298 20 10 EGCDHM C[C@H]1C[C@H]2CN(Cc3c([O-])cc(Br)cc3F)CC[C@H]2O1 ZINC001233028556 1376557832 /nfs/dbraw/zinc/55/78/32/1376557832.db2.gz REEKFLLEGAEPIL-AMJWSMQMSA-N -1 3 344.224 3.293 20 10 EGCDHM [O-]c1cccnc1CNC(=S)Nc1ccccc1C(F)(F)F ZINC001197283050 1368779276 /nfs/dbraw/zinc/77/92/76/1368779276.db2.gz WALFHGXJUQMGKU-UHFFFAOYSA-N -1 3 327.331 3.293 20 10 EGCDHM [O-]c1c(CNC(=S)Nc2cccnc2)cc(Cl)c2cccnc12 ZINC001199907390 1369289063 /nfs/dbraw/zinc/28/90/63/1369289063.db2.gz CZOGUIMFAOVWPI-UHFFFAOYSA-N -1 3 344.827 3.475 20 10 EGCDHM CN1C(=O)CCC12CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001203586163 1370178682 /nfs/dbraw/zinc/17/86/82/1370178682.db2.gz LZGJLXJRHPOHAH-UHFFFAOYSA-N -1 3 343.254 3.286 20 10 EGCDHM CCCCN(CC(=O)OCC)Cc1cc(Br)ccc1[O-] ZINC001203649751 1370200715 /nfs/dbraw/zinc/20/07/15/1370200715.db2.gz FHUAVUWGAUNWFL-UHFFFAOYSA-N -1 3 344.249 3.320 20 10 EGCDHM CC(=O)c1cc(Cl)cc(Cn2cc(C(=O)C(C)(C)C)nn2)c1[O-] ZINC001119278793 1371296248 /nfs/dbraw/zinc/29/62/48/1371296248.db2.gz ZCJYVHXNCWIJDR-UHFFFAOYSA-N -1 3 335.791 3.117 20 10 EGCDHM CC(C)(C)OC(=O)NCCC1CN(Cc2cccc(Cl)c2[O-])C1 ZINC001231912551 1376349078 /nfs/dbraw/zinc/34/90/78/1376349078.db2.gz MWNMRNDPLRVXCO-UHFFFAOYSA-N -1 3 340.851 3.392 20 10 EGCDHM [O-]c1c(CN2CC[C@@H](N3CCCCC3)[C@@H](F)C2)ccc(F)c1F ZINC001233079612 1376564297 /nfs/dbraw/zinc/56/42/97/1376564297.db2.gz HCAQSCGEDLOOSM-LSDHHAIUSA-N -1 3 328.378 3.069 20 10 EGCDHM [O-]c1c(CN2CCN3CCc4ccccc4[C@H]3C2)ccc(F)c1F ZINC001233078035 1376564635 /nfs/dbraw/zinc/56/46/35/1376564635.db2.gz DNMXLTNWBVNJCS-QGZVFWFLSA-N -1 3 330.378 3.085 20 10 EGCDHM CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233334812 1376618017 /nfs/dbraw/zinc/61/80/17/1376618017.db2.gz USVXAFJBKMXWEJ-LLVKDONJSA-N -1 3 327.371 3.224 20 10 EGCDHM CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1cccc(F)c1[O-] ZINC001138124082 1377680983 /nfs/dbraw/zinc/68/09/83/1377680983.db2.gz YSLNNRKAHUSBNJ-UHFFFAOYSA-N -1 3 336.407 3.020 20 10 EGCDHM O=C(N[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1)c1cccc(F)c1 ZINC001138130474 1377682783 /nfs/dbraw/zinc/68/27/83/1377682783.db2.gz AMZYNKJDBZFEDE-MRXNPFEDSA-N -1 3 346.377 3.065 20 10 EGCDHM O=C1c2ccccc2[C@@H]2CN(Cc3c([O-])cccc3Cl)CCN12 ZINC001140338220 1378048266 /nfs/dbraw/zinc/04/82/66/1378048266.db2.gz BHPDFLRLCZFCQQ-INIZCTEOSA-N -1 3 328.799 3.058 20 10 EGCDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Cl)Cc2cn(CC)nc21 ZINC001140340656 1378049416 /nfs/dbraw/zinc/04/94/16/1378049416.db2.gz ZBAJQYHZXHRHDF-CQSZACIVSA-N -1 3 349.862 3.398 20 10 EGCDHM COC(=O)c1cccc2c1CCN(Cc1c([O-])cccc1Cl)C2 ZINC001140342617 1378050181 /nfs/dbraw/zinc/05/01/81/1378050181.db2.gz QUUZJKFHIBUPCN-UHFFFAOYSA-N -1 3 331.799 3.391 20 10 EGCDHM COCC[C@H]1CO[C@@]2(C1)CCCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140581160 1378089653 /nfs/dbraw/zinc/08/96/53/1378089653.db2.gz RDSSAHOUJNWEOH-FZKQIMNGSA-N -1 3 341.398 3.078 20 10 EGCDHM Cc1cccc(OC2CCN(Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001142531072 1378454033 /nfs/dbraw/zinc/45/40/33/1378454033.db2.gz OSDHBVPEBKRLTB-UHFFFAOYSA-N -1 3 334.366 3.417 20 10 EGCDHM CCCO[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299730 1378712577 /nfs/dbraw/zinc/71/25/77/1378712577.db2.gz HNSSHZGNDQFJKI-NSHDSACASA-N -1 3 332.213 3.295 20 10 EGCDHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001148218720 1379134788 /nfs/dbraw/zinc/13/47/88/1379134788.db2.gz INYOMVGQISCMPK-UHFFFAOYSA-N -1 3 329.352 3.305 20 10 EGCDHM Nc1cc2nc3ccccc3nc2cc1NC(=O)c1cccc(O)c1[O-] ZINC001148219112 1379134977 /nfs/dbraw/zinc/13/49/77/1379134977.db2.gz TYGFXOWPNJFWCN-UHFFFAOYSA-N -1 3 346.346 3.029 20 10 EGCDHM Cn1cnc2ccc(NCc3cc(Cl)c4cccnc4c3[O-])nc21 ZINC001168527791 1383930261 /nfs/dbraw/zinc/93/02/61/1383930261.db2.gz KHDBGWIGCWZYBG-UHFFFAOYSA-N -1 3 339.786 3.488 20 10 EGCDHM CC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001589443984 954739654 /nfs/dbraw/zinc/73/96/54/954739654.db2.gz OSPQRPJOBHRJRE-QGZVFWFLSA-N -1 3 329.396 3.266 20 10 EGCDHM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001589443984 954739664 /nfs/dbraw/zinc/73/96/64/954739664.db2.gz OSPQRPJOBHRJRE-QGZVFWFLSA-N -1 3 329.396 3.266 20 10 EGCDHM COc1cc(Cl)cc(C[N@H+](CC(=O)[O-])Cc2ccccc2)c1[O-] ZINC000692428550 976468332 /nfs/dbraw/zinc/46/83/32/976468332.db2.gz OGPFDFXIZBNDOV-UHFFFAOYSA-N -1 3 335.787 3.141 20 10 EGCDHM COc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])Cc2ccccc2)c1[O-] ZINC000692428550 976468336 /nfs/dbraw/zinc/46/83/36/976468336.db2.gz OGPFDFXIZBNDOV-UHFFFAOYSA-N -1 3 335.787 3.141 20 10 EGCDHM CCN(CC)c1ccc(CNCc2cc(C(=O)[O-])c(C)n2C)cc1 ZINC001596288328 983708018 /nfs/dbraw/zinc/70/80/18/983708018.db2.gz MWLVCZLPJZDEBW-UHFFFAOYSA-N -1 3 329.444 3.168 20 10 EGCDHM CN(C)c1ccc(/C=C\CNCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001598314138 991292728 /nfs/dbraw/zinc/29/27/28/991292728.db2.gz CSZQKEXMPKUHKD-ARJAWSKDSA-N -1 3 328.387 3.393 20 10 EGCDHM CN(CCSc1ncc(C(=O)[O-])s1)Cc1ccc(F)cc1 ZINC001598500602 992431009 /nfs/dbraw/zinc/43/10/09/992431009.db2.gz MBUMYNVZFOBSNN-UHFFFAOYSA-N -1 3 326.418 3.205 20 10 EGCDHM C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593210943 994257230 /nfs/dbraw/zinc/25/72/30/994257230.db2.gz UHYQUXCLPLDYSO-WBMJQRKESA-N -1 3 331.416 3.052 20 10 EGCDHM C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219054 994294434 /nfs/dbraw/zinc/29/44/34/994294434.db2.gz LSIMUYALECPSSQ-PIGZYNQJSA-N -1 3 326.396 3.401 20 10 EGCDHM C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593262877 994558042 /nfs/dbraw/zinc/55/80/42/994558042.db2.gz YYPKAPFAPANMPW-YJYMSZOUSA-N -1 3 329.396 3.039 20 10 EGCDHM C[C@@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594380138 999435355 /nfs/dbraw/zinc/43/53/55/999435355.db2.gz HGWHONPWOJYSQA-UONOGXRCSA-N -1 3 334.460 3.252 20 10 EGCDHM CCS(=O)(=O)c1ccc(CNCc2cccc(Cl)c2[O-])s1 ZINC000280668738 456027029 /nfs/dbraw/zinc/02/70/29/456027029.db2.gz UANLTAARNLULFT-UHFFFAOYSA-N -1 3 345.873 3.191 20 10 EGCDHM Cc1occc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158021849 455260299 /nfs/dbraw/zinc/26/02/99/455260299.db2.gz UBDKCHNSANVAMY-HNNXBMFYSA-N -1 3 348.830 3.341 20 10 EGCDHM COc1cc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])ccc1O ZINC000079403616 454410278 /nfs/dbraw/zinc/41/02/78/454410278.db2.gz AQUDYNBZGUGBNK-UHFFFAOYSA-N -1 3 333.359 3.080 20 10 EGCDHM CCc1c(C(=O)CN(C)Cc2ccccc2[O-])[nH]c(C)c1C(C)=O ZINC000109769143 454836091 /nfs/dbraw/zinc/83/60/91/454836091.db2.gz IDUBZMJPJRRFKR-UHFFFAOYSA-N -1 3 328.412 3.108 20 10 EGCDHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(C)c(O)c1[O-])CCC2 ZINC000179492768 455052544 /nfs/dbraw/zinc/05/25/44/455052544.db2.gz RKQVUTROJKFQBS-CYBMUJFWSA-N -1 3 332.425 3.321 20 10 EGCDHM O=C(NC1CCN(Cc2cccc(Cl)c2[O-])CC1)c1ccccc1 ZINC000179642509 455063244 /nfs/dbraw/zinc/06/32/44/455063244.db2.gz PQFKQZQLJDRLSZ-UHFFFAOYSA-N -1 3 344.842 3.440 20 10 EGCDHM COc1ccc([C@@H]2CCN(C(=O)c3ccc(C)c(O)c3[O-])C2)cc1 ZINC000182277916 455478434 /nfs/dbraw/zinc/47/84/34/455478434.db2.gz QNOWVEACGVKYHX-CQSZACIVSA-N -1 3 327.380 3.045 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](CCO)c2ccccc2)c1[O-] ZINC000271609865 455700325 /nfs/dbraw/zinc/70/03/25/455700325.db2.gz BIEJBEHQZJIUBE-QGZVFWFLSA-N -1 3 333.815 3.462 20 10 EGCDHM COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc(OC)c1C ZINC000294009076 455803134 /nfs/dbraw/zinc/80/31/34/455803134.db2.gz UBESLBACHXIWOR-UHFFFAOYSA-N -1 3 348.355 3.247 20 10 EGCDHM COc1cccc(C2(NCc3ccc([N+](=O)[O-])c(OC)c3[O-])CC2)c1 ZINC000278472451 455836156 /nfs/dbraw/zinc/83/61/56/455836156.db2.gz HNQKUSWJVXBSLR-UHFFFAOYSA-N -1 3 344.367 3.097 20 10 EGCDHM Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@H](C)c3ccc(F)cc3[O-])n2)c1 ZINC000279163092 455859325 /nfs/dbraw/zinc/85/93/25/455859325.db2.gz BQCUNJGRUJCLDQ-VXGBXAGGSA-N -1 3 341.390 3.432 20 10 EGCDHM COCC(=O)N1CCc2cc(N[C@@H](C)c3ccc(F)cc3[O-])ccc21 ZINC000187667930 455935864 /nfs/dbraw/zinc/93/58/64/455935864.db2.gz IMZMDWOHKRJYKT-LBPRGKRZSA-N -1 3 344.386 3.240 20 10 EGCDHM CC[C@@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000285980823 455954020 /nfs/dbraw/zinc/95/40/20/455954020.db2.gz HPGUADIGEYFNMV-QGZVFWFLSA-N -1 3 330.403 3.231 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC([C@@H]3CCCO3)CC2)c1[O-] ZINC000188249503 456030351 /nfs/dbraw/zinc/03/03/51/456030351.db2.gz HWWNYBKGDZXLJJ-HNNXBMFYSA-N -1 3 340.807 3.345 20 10 EGCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])c1ccc(OC)c(OC)c1 ZINC000272826170 456081077 /nfs/dbraw/zinc/08/10/77/456081077.db2.gz PGKVVYSFKFTJTQ-UHFFFAOYSA-N -1 3 331.368 3.090 20 10 EGCDHM NC(=O)c1ccc(CN(Cc2c([O-])cccc2Cl)C2CC2)cc1 ZINC000271114144 456130123 /nfs/dbraw/zinc/13/01/23/456130123.db2.gz VSDLCHNIIFAFMO-UHFFFAOYSA-N -1 3 330.815 3.309 20 10 EGCDHM COC[C@H](C)Nc1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000281182830 456155726 /nfs/dbraw/zinc/15/57/26/456155726.db2.gz BUHSSPGZTLDFPD-LBPRGKRZSA-N -1 3 330.384 3.105 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(C(=O)N(C)C)c2)c1 ZINC000273488722 456234575 /nfs/dbraw/zinc/23/45/75/456234575.db2.gz WFBQQVQPSHVZNP-GFCCVEGCSA-N -1 3 342.395 3.054 20 10 EGCDHM CCc1nnc(CN[C@H](C)c2ccc(Br)cc2[O-])s1 ZINC000290099533 456240282 /nfs/dbraw/zinc/24/02/82/456240282.db2.gz HYATXMDEISPUSC-MRVPVSSYSA-N -1 3 342.262 3.419 20 10 EGCDHM COc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])c(OC)c1 ZINC000274898191 456267339 /nfs/dbraw/zinc/26/73/39/456267339.db2.gz OISDLADNABAIOM-HNNXBMFYSA-N -1 3 343.379 3.092 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(c3ccncn3)CC2)c1[O-] ZINC000298109413 456367753 /nfs/dbraw/zinc/36/77/53/456367753.db2.gz JMVLGCPWHDMVLJ-UHFFFAOYSA-N -1 3 345.830 3.418 20 10 EGCDHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(N(C)C)cc2)c1 ZINC000277541842 456857361 /nfs/dbraw/zinc/85/73/61/456857361.db2.gz ZQXNWJJGYQHTBO-GOSISDBHSA-N -1 3 328.412 3.067 20 10 EGCDHM COc1cc(Cl)cc(CN2CCCC[C@H]2c2noc(C)n2)c1[O-] ZINC000363927063 457464746 /nfs/dbraw/zinc/46/47/46/457464746.db2.gz NCVFIDJCXNGHNP-ZDUSSCGKSA-N -1 3 337.807 3.473 20 10 EGCDHM CC(F)(F)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000372943547 458355259 /nfs/dbraw/zinc/35/52/59/458355259.db2.gz SPNIWLOSULRQHP-ZDUSSCGKSA-N -1 3 346.805 3.172 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000377660106 458508114 /nfs/dbraw/zinc/50/81/14/458508114.db2.gz SYAFWRWMLZIFBL-QGZVFWFLSA-N -1 3 325.836 3.089 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](NCc2ccc(F)cn2)C1 ZINC000529552080 459830838 /nfs/dbraw/zinc/83/08/38/459830838.db2.gz XPKOYUMTITVSPT-QGZVFWFLSA-N -1 3 349.837 3.334 20 10 EGCDHM O=C(NCc1cccc(OCC(F)(F)F)c1)c1cc([O-])cs1 ZINC000731870162 575213609 /nfs/dbraw/zinc/21/36/09/575213609.db2.gz RLPCMMKHAHBSDZ-UHFFFAOYSA-N -1 3 331.315 3.325 20 10 EGCDHM O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cc([O-])cs1 ZINC000731866386 575216086 /nfs/dbraw/zinc/21/60/86/575216086.db2.gz HDARBCLUEMRDEA-UHFFFAOYSA-N -1 3 334.378 3.087 20 10 EGCDHM CCc1ccc2c(COC(=O)c3cc([O-])cs3)cc(=O)oc2c1 ZINC000731909176 575218280 /nfs/dbraw/zinc/21/82/80/575218280.db2.gz BSXKHTPVLDJDHM-UHFFFAOYSA-N -1 3 330.361 3.480 20 10 EGCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000732272562 575251803 /nfs/dbraw/zinc/25/18/03/575251803.db2.gz WLJWFZQRLGBYKJ-JTQLQIEISA-N -1 3 345.424 3.229 20 10 EGCDHM CN(C(=O)COC(=O)c1cc([O-])cs1)[C@H]1CCCc2ccccc21 ZINC000732354664 575262007 /nfs/dbraw/zinc/26/20/07/575262007.db2.gz PWFNRBCMQVWGHA-HNNXBMFYSA-N -1 3 345.420 3.147 20 10 EGCDHM Cc1ccc(F)c(N2CCC[C@@H](OC(=O)c3cc([O-])cs3)C2=O)c1 ZINC000735720521 575706231 /nfs/dbraw/zinc/70/62/31/575706231.db2.gz ZRJHCRHSKNYIKW-CQSZACIVSA-N -1 3 349.383 3.254 20 10 EGCDHM O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000833315037 601954250 /nfs/dbraw/zinc/95/42/50/601954250.db2.gz NGCIMRJKSKLPIA-AWEZNQCLSA-N -1 3 347.436 3.333 20 10 EGCDHM O=C([O-])c1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000833315037 601954254 /nfs/dbraw/zinc/95/42/54/601954254.db2.gz NGCIMRJKSKLPIA-AWEZNQCLSA-N -1 3 347.436 3.333 20 10 EGCDHM CC1CCN(c2cccc(NC(=O)c3ccc(N)cc3[O-])c2)CC1 ZINC000830189461 1292683313 /nfs/dbraw/zinc/68/33/13/1292683313.db2.gz JADZQYQQOCPPLQ-UHFFFAOYSA-N -1 3 325.412 3.463 20 10 EGCDHM Cc1cccn2cc(CNCc3cccc(Br)c3[O-])nc12 ZINC000123988405 1293463154 /nfs/dbraw/zinc/46/31/54/1293463154.db2.gz SFNVEEPBQWLKIP-UHFFFAOYSA-N -1 3 346.228 3.401 20 10 EGCDHM CCc1cc(=O)c2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc2[nH]1 ZINC000182997846 1295090250 /nfs/dbraw/zinc/09/02/50/1295090250.db2.gz LAICTQGZKUZGES-UHFFFAOYSA-N -1 3 338.363 3.062 20 10 EGCDHM Cc1ccc(C(=O)N2CCN(C3CC3)c3ccc(F)cc32)c([O-])c1O ZINC000185246405 1295250090 /nfs/dbraw/zinc/25/00/90/1295250090.db2.gz ODFIEVFOLHRTEP-UHFFFAOYSA-N -1 3 342.370 3.175 20 10 EGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(C)c(C)c1O ZINC000187060858 1295366088 /nfs/dbraw/zinc/36/60/88/1295366088.db2.gz YDPSMNBKGRHPKT-LLVKDONJSA-N -1 3 347.436 3.442 20 10 EGCDHM COc1ccccc1-c1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000187505060 1295394325 /nfs/dbraw/zinc/39/43/25/1295394325.db2.gz TUAIRCDAVNWVEW-UHFFFAOYSA-N -1 3 342.376 3.482 20 10 EGCDHM Cc1ccc2c(c1)N[C@@H](c1cc(O)cc(Br)c1[O-])NC2=O ZINC000877865001 1299615073 /nfs/dbraw/zinc/61/50/73/1299615073.db2.gz VPNMWDMDAKRASO-CQSZACIVSA-N -1 3 349.184 3.023 20 10 EGCDHM COCCOc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000756821649 1300571189 /nfs/dbraw/zinc/57/11/89/1300571189.db2.gz ZESYNVOTPUUHNV-CYBMUJFWSA-N -1 3 345.395 3.377 20 10 EGCDHM Cc1nnc(CN[C@@H](C)c2ccc(Br)cc2[O-])s1 ZINC000757636634 1300700498 /nfs/dbraw/zinc/70/04/98/1300700498.db2.gz DMIZAXGQYDQIGM-ZETCQYMHSA-N -1 3 328.235 3.165 20 10 EGCDHM [O-]c1c(F)cc(Br)cc1CN[C@H](CCO)c1ccco1 ZINC000883089109 1302241625 /nfs/dbraw/zinc/24/16/25/1302241625.db2.gz AQBJZJNZGANGRR-GFCCVEGCSA-N -1 3 344.180 3.100 20 10 EGCDHM CCOc1cccc(CNCc2cccc(Br)c2[O-])n1 ZINC000775153909 1303916729 /nfs/dbraw/zinc/91/67/29/1303916729.db2.gz WASMATWQVDELMJ-UHFFFAOYSA-N -1 3 337.217 3.238 20 10 EGCDHM O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1cccc(O)c1[O-] ZINC000776679710 1304182690 /nfs/dbraw/zinc/18/26/90/1304182690.db2.gz PSIKIGPGQDGJBD-CYBMUJFWSA-N -1 3 333.771 3.395 20 10 EGCDHM COC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1Cl ZINC000780870975 1304746909 /nfs/dbraw/zinc/74/69/09/1304746909.db2.gz WLBLDKCYIZFXIB-UHFFFAOYSA-N -1 3 335.743 3.099 20 10 EGCDHM Cc1ccc(NCc2c([O-])cccc2Cl)cc1N1CCNC1=O ZINC000785553420 1305377862 /nfs/dbraw/zinc/37/78/62/1305377862.db2.gz SGXBONOUSXGOAG-UHFFFAOYSA-N -1 3 331.803 3.496 20 10 EGCDHM C[C@@H](NCc1ncnn1-c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000786943525 1305663476 /nfs/dbraw/zinc/66/34/76/1305663476.db2.gz ZQPFMGYHPMYDMZ-GFCCVEGCSA-N -1 3 328.803 3.477 20 10 EGCDHM O=C(NC1CCN(Cc2cc(F)cc(F)c2[O-])CC1)c1ccccc1 ZINC000893917292 1306128828 /nfs/dbraw/zinc/12/88/28/1306128828.db2.gz STVHVQOOQVTCCJ-UHFFFAOYSA-N -1 3 346.377 3.065 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(CCc2ccc(O)cc2)CC1 ZINC000790497627 1306338319 /nfs/dbraw/zinc/33/83/19/1306338319.db2.gz OBXJOLRGMTUHPS-UHFFFAOYSA-N -1 3 341.407 3.288 20 10 EGCDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(O)c3[O-])s2)c(C)c1 ZINC000790573749 1306354345 /nfs/dbraw/zinc/35/43/45/1306354345.db2.gz ZNMIJGHBZQHLKH-UHFFFAOYSA-N -1 3 341.392 3.485 20 10 EGCDHM O=C(Nc1cc(-c2cccc(Cl)c2)[nH]n1)c1cccc(O)c1[O-] ZINC000790599156 1306357320 /nfs/dbraw/zinc/35/73/20/1306357320.db2.gz UBBBGROEVXWIRE-UHFFFAOYSA-N -1 3 329.743 3.394 20 10 EGCDHM O=C(NCc1ccc(OC2CCCC2)cc1)c1cccc(O)c1[O-] ZINC000790619227 1306364259 /nfs/dbraw/zinc/36/42/59/1306364259.db2.gz RVUAASKASNAWIX-UHFFFAOYSA-N -1 3 327.380 3.349 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@H]1CCO ZINC000894500712 1308926363 /nfs/dbraw/zinc/92/63/63/1308926363.db2.gz PMAFJJRGMOUKOZ-NSHDSACASA-N -1 3 334.641 3.155 20 10 EGCDHM O=C1C[C@@]2(CCN(Cc3cc(F)cc(F)c3[O-])C2)Oc2ccccc21 ZINC000894993129 1309147473 /nfs/dbraw/zinc/14/74/73/1309147473.db2.gz GJHJXWUDQXFIID-LJQANCHMSA-N -1 3 345.345 3.280 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895780863 1309516124 /nfs/dbraw/zinc/51/61/24/1309516124.db2.gz XOWALZQVDQEGTR-YDEJPDAXSA-N -1 3 346.652 3.011 20 10 EGCDHM Cc1ccc(N2CCN(Cc3c([O-])ccc4ccncc43)CC2=O)cc1 ZINC000795636663 1309795643 /nfs/dbraw/zinc/79/56/43/1309795643.db2.gz VDIBSQAYZKPTAI-UHFFFAOYSA-N -1 3 347.418 3.098 20 10 EGCDHM [O-]c1cccc(Br)c1CNCc1nccn1C(F)F ZINC000858114105 1328686262 /nfs/dbraw/zinc/68/62/62/1328686262.db2.gz WMOSTHHHZXZTFA-UHFFFAOYSA-N -1 3 332.148 3.036 20 10 EGCDHM O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000901893930 1317493605 /nfs/dbraw/zinc/49/36/05/1317493605.db2.gz JHYZOCFSDLIQNF-JKSUJKDBSA-N -1 3 331.799 3.346 20 10 EGCDHM O=C([O-])[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000901893930 1317493607 /nfs/dbraw/zinc/49/36/07/1317493607.db2.gz JHYZOCFSDLIQNF-JKSUJKDBSA-N -1 3 331.799 3.346 20 10 EGCDHM CCN(C(=O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000903197784 1317672160 /nfs/dbraw/zinc/67/21/60/1317672160.db2.gz VPVYJRBYPQZEAP-CYBMUJFWSA-N -1 3 343.383 3.004 20 10 EGCDHM COc1ccccc1N(CCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000808797825 1317735123 /nfs/dbraw/zinc/73/51/23/1317735123.db2.gz FCMNVZRGMMBFSM-UHFFFAOYSA-N -1 3 349.814 3.256 20 10 EGCDHM O=S1(=O)C[C@H](NCc2ccc3ccccc3c2[O-])c2ccccc21 ZINC000816611520 1319192639 /nfs/dbraw/zinc/19/26/39/1319192639.db2.gz RKWNSCYOTNSSLP-KRWDZBQOSA-N -1 3 339.416 3.164 20 10 EGCDHM CCOC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])c1cccc(O)c1 ZINC000825556520 1320346573 /nfs/dbraw/zinc/34/65/73/1320346573.db2.gz RMWULCMNSWLZPI-QGZVFWFLSA-N -1 3 349.814 3.454 20 10 EGCDHM COC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])c1cccs1 ZINC000825666804 1320353688 /nfs/dbraw/zinc/35/36/88/1320353688.db2.gz PGRDFZSQEWJOAU-CQSZACIVSA-N -1 3 325.817 3.419 20 10 EGCDHM Cc1ncc(CN[C@H](C)c2cc(Br)cc(F)c2[O-])o1 ZINC000840795194 1321149707 /nfs/dbraw/zinc/14/97/07/1321149707.db2.gz WFZRRVAFZAXUCT-SSDOTTSWSA-N -1 3 329.169 3.441 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2c(OC)cccc2OC)c1 ZINC000850504776 1322259232 /nfs/dbraw/zinc/25/92/32/1322259232.db2.gz FEEJFIIXAONWDA-LBPRGKRZSA-N -1 3 345.395 3.047 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000859816227 1329084699 /nfs/dbraw/zinc/08/46/99/1329084699.db2.gz YPOYLYLONKHOFF-MFKMUULPSA-N -1 3 342.233 3.006 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000859816227 1329084705 /nfs/dbraw/zinc/08/47/05/1329084705.db2.gz YPOYLYLONKHOFF-MFKMUULPSA-N -1 3 342.233 3.006 20 10 EGCDHM CCOC(=O)[C@H](C)N(Cc1c([O-])cccc1Br)C1CC1 ZINC000862339199 1329475841 /nfs/dbraw/zinc/47/58/41/1329475841.db2.gz KXKSDOIEQKKYEV-JTQLQIEISA-N -1 3 342.233 3.071 20 10 EGCDHM Cc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(C)n1C ZINC001192441997 1367782191 /nfs/dbraw/zinc/78/21/91/1367782191.db2.gz QYBCBGQCEDUKPI-UHFFFAOYSA-N -1 3 343.814 3.479 20 10 EGCDHM [O-]c1cccnc1CNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC001197532908 1368833823 /nfs/dbraw/zinc/83/38/23/1368833823.db2.gz VHYISFBXJXPCFM-UHFFFAOYSA-N -1 3 343.330 3.172 20 10 EGCDHM COC(=O)[C@H]1C[C@H](C)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203580987 1370178040 /nfs/dbraw/zinc/17/80/40/1370178040.db2.gz XTAMIGFXEKDJMJ-ONGXEEELSA-N -1 3 332.227 3.330 20 10 EGCDHM O=C(c1ccccc1F)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203657046 1370203725 /nfs/dbraw/zinc/20/37/25/1370203725.db2.gz COYRDJJZQSNQMT-UHFFFAOYSA-N -1 3 348.805 3.143 20 10 EGCDHM CCn1ncc2c1[C@@H](COC)CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203656172 1370204289 /nfs/dbraw/zinc/20/42/89/1370204289.db2.gz KNNRPKILPANHFL-CQSZACIVSA-N -1 3 335.835 3.008 20 10 EGCDHM COc1cnccc1Nc1c(Cl)ccc(Br)c1[O-] ZINC001211264818 1372516225 /nfs/dbraw/zinc/51/62/25/1372516225.db2.gz LYZXLFXMKQBKRT-UHFFFAOYSA-N -1 3 329.581 3.377 20 10 EGCDHM Cc1cc(O[C@H]2CCCOC2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229541016 1375853342 /nfs/dbraw/zinc/85/33/42/1375853342.db2.gz GECXJGANNJKSHB-LBPRGKRZSA-N -1 3 338.359 3.034 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC001231567263 1376266985 /nfs/dbraw/zinc/26/69/85/1376266985.db2.gz BZKVBGZQPQAKHI-KRWDZBQOSA-N -1 3 329.371 3.437 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC001231567263 1376267000 /nfs/dbraw/zinc/26/70/00/1376267000.db2.gz BZKVBGZQPQAKHI-KRWDZBQOSA-N -1 3 329.371 3.437 20 10 EGCDHM COc1cccc([C@H]2CC[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)c1 ZINC001231566929 1376267727 /nfs/dbraw/zinc/26/77/27/1376267727.db2.gz UTMWZIGTOWRBAH-HNNXBMFYSA-N -1 3 327.380 3.089 20 10 EGCDHM COc1cccc([C@H]2CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)c1 ZINC001231566929 1376267735 /nfs/dbraw/zinc/26/77/35/1376267735.db2.gz UTMWZIGTOWRBAH-HNNXBMFYSA-N -1 3 327.380 3.089 20 10 EGCDHM CCOCc1ncn2c1CN(Cc1cc(Cl)c(C)cc1[O-])CC2 ZINC001231869552 1376330725 /nfs/dbraw/zinc/33/07/25/1376330725.db2.gz QNFVOFVPQZQIKV-UHFFFAOYSA-N -1 3 335.835 3.103 20 10 EGCDHM COc1ccc(OC2CCN(Cc3cccc(Cl)c3[O-])CC2)nc1 ZINC001231913265 1376348922 /nfs/dbraw/zinc/34/89/22/1376348922.db2.gz KBEKWBRDFICWLC-UHFFFAOYSA-N -1 3 348.830 3.493 20 10 EGCDHM COc1cc([O-])c(CN(C)[C@@H](C)C(=O)OC(C)(C)C)cc1Cl ZINC001232269237 1376427229 /nfs/dbraw/zinc/42/72/29/1376427229.db2.gz UGCMBWATTIOKHG-JTQLQIEISA-N -1 3 329.824 3.216 20 10 EGCDHM C[C@](O)(C1CCN(Cc2c([O-])ccc(F)c2F)CC1)C(F)(F)F ZINC001233335956 1376619058 /nfs/dbraw/zinc/61/90/58/1376619058.db2.gz SLTPNYPHEJLZGJ-AWEZNQCLSA-N -1 3 339.304 3.196 20 10 EGCDHM [O-]c1cccc(F)c1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC001137832052 1377624187 /nfs/dbraw/zinc/62/41/87/1377624187.db2.gz YUIRJXNLXBWLEU-VMPITWQZSA-N -1 3 326.415 3.362 20 10 EGCDHM CC(C)(C)OC(=O)NC1CC2(C1)CN(Cc1c([O-])cccc1F)C2 ZINC001137837296 1377626946 /nfs/dbraw/zinc/62/69/46/1377626946.db2.gz AGDNXEFGHMJRBP-UHFFFAOYSA-N -1 3 336.407 3.020 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2Cc1cccc(F)c1[O-] ZINC001138123797 1377680886 /nfs/dbraw/zinc/68/08/86/1377680886.db2.gz MBYOMJFBCJBBTK-CABCVRRESA-N -1 3 336.407 3.115 20 10 EGCDHM Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)Cc1ccccc1[O-] ZINC001139129602 1377835313 /nfs/dbraw/zinc/83/53/13/1377835313.db2.gz AWQDPUSEMAWFIU-UHFFFAOYSA-N -1 3 325.364 3.145 20 10 EGCDHM Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)Cc1ccccc1[O-] ZINC001139129602 1377835315 /nfs/dbraw/zinc/83/53/15/1377835315.db2.gz AWQDPUSEMAWFIU-UHFFFAOYSA-N -1 3 325.364 3.145 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])[C@@H]2C[C@@H]21 ZINC001140463170 1378067297 /nfs/dbraw/zinc/06/72/97/1378067297.db2.gz VUNHWHHFMWTIBU-KGLIPLIRSA-N -1 3 338.835 3.239 20 10 EGCDHM COC(=O)[C@H]1CCN(Cc2c([O-])cc(F)cc2F)[C@H]1c1ccccc1 ZINC001140585006 1378090648 /nfs/dbraw/zinc/09/06/48/1378090648.db2.gz ONTVLSRDKNTBBY-KSSFIOAISA-N -1 3 347.361 3.407 20 10 EGCDHM C[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCC[C@H]1O ZINC001141367782 1378311568 /nfs/dbraw/zinc/31/15/68/1378311568.db2.gz PSZNYYFCCPWSLN-TVQRCGJNSA-N -1 3 348.668 3.401 20 10 EGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC[C@@H]1O ZINC001141367817 1378311977 /nfs/dbraw/zinc/31/19/77/1378311977.db2.gz RQUXRGIQIYFTHO-RNCFNFMXSA-N -1 3 348.668 3.401 20 10 EGCDHM CC(C)(C)OC(=O)O[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508689 1378450368 /nfs/dbraw/zinc/45/03/68/1378450368.db2.gz IAGSKFVEPWAHIS-LLVKDONJSA-N -1 3 329.343 3.196 20 10 EGCDHM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC001148218455 1379134922 /nfs/dbraw/zinc/13/49/22/1379134922.db2.gz DDOONRMGDPSHHU-HNNXBMFYSA-N -1 3 327.380 3.221 20 10 EGCDHM O=C(Nc1cc2cccnc2c2ncccc12)c1cc(O)c([O-])c(O)c1 ZINC001148586073 1379217418 /nfs/dbraw/zinc/21/74/18/1379217418.db2.gz HHDNJYLTERHXJQ-UHFFFAOYSA-N -1 3 347.330 3.152 20 10 EGCDHM CC[C@@H]1CO[C@@](C)(CCC(C)C)N1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584904 1379217616 /nfs/dbraw/zinc/21/76/16/1379217616.db2.gz ZLUWHUQEWIQGGB-ACJLOTCBSA-N -1 3 337.416 3.207 20 10 EGCDHM Nc1ccc2c(c1)Cc1cc(NC(=O)c3cc(O)c([O-])c(O)c3)ccc1-2 ZINC001148587453 1379218593 /nfs/dbraw/zinc/21/85/93/1379218593.db2.gz ILHMMFANQKHEON-UHFFFAOYSA-N -1 3 348.358 3.209 20 10 EGCDHM CCN(C)c1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157724272 1381015062 /nfs/dbraw/zinc/01/50/62/1381015062.db2.gz KIKFJONSCFOUJJ-UHFFFAOYSA-N -1 3 343.818 3.452 20 10 EGCDHM COc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])nc1OC ZINC001157726805 1381015934 /nfs/dbraw/zinc/01/59/34/1381015934.db2.gz ZZPWUPHKRNEGDZ-UHFFFAOYSA-N -1 3 346.774 3.013 20 10 EGCDHM Nc1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncc1[N+](=O)[O-] ZINC001157726109 1381016433 /nfs/dbraw/zinc/01/64/33/1381016433.db2.gz DWZXCMBGJJOGDX-UHFFFAOYSA-N -1 3 345.746 3.091 20 10 EGCDHM COCc1nccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527919 1383930086 /nfs/dbraw/zinc/93/00/86/1383930086.db2.gz PBNIWGOIUXYYKB-UHFFFAOYSA-N -1 3 330.775 3.142 20 10 EGCDHM COc1cc(Cl)cc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])c1O ZINC000325629976 971231758 /nfs/dbraw/zinc/23/17/58/971231758.db2.gz WECOSSYMHSIISH-MRXNPFEDSA-N -1 3 347.798 3.238 20 10 EGCDHM COc1cc(Cl)cc(C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c1[O-] ZINC000325629976 971231765 /nfs/dbraw/zinc/23/17/65/971231765.db2.gz WECOSSYMHSIISH-MRXNPFEDSA-N -1 3 347.798 3.238 20 10 EGCDHM COc1cc(Cl)cc(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c1[O-] ZINC000325629976 971231768 /nfs/dbraw/zinc/23/17/68/971231768.db2.gz WECOSSYMHSIISH-MRXNPFEDSA-N -1 3 347.798 3.238 20 10 EGCDHM COc1ccc(O)c([C@H](C)NCc2ccccc2O[C@@H](C)C(=O)[O-])c1 ZINC001599598175 993776554 /nfs/dbraw/zinc/77/65/54/993776554.db2.gz HBHJMNNROIYGIA-STQMWFEESA-N -1 3 345.395 3.104 20 10 EGCDHM C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593210510 994250492 /nfs/dbraw/zinc/25/04/92/994250492.db2.gz QXVOZGIHLHHIAV-GUYCJALGSA-N -1 3 329.396 3.255 20 10 EGCDHM C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593295225 994689598 /nfs/dbraw/zinc/68/95/98/994689598.db2.gz CWPCRKZTUUKMCL-LBPRGKRZSA-N -1 3 329.396 3.169 20 10 EGCDHM COc1cc(-c2noc(CN(C)Cc3ccccc3[O-])n2)ccc1C ZINC000121142084 454397009 /nfs/dbraw/zinc/39/70/09/454397009.db2.gz KZUAQOOOGJWBRJ-UHFFFAOYSA-N -1 3 339.395 3.391 20 10 EGCDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093559664 454721239 /nfs/dbraw/zinc/72/12/39/454721239.db2.gz ZDSGYJSRZXCRKZ-CABCVRRESA-N -1 3 345.464 3.067 20 10 EGCDHM CCN(Cc1cnn(CC)c1)Cc1cc(Br)ccc1[O-] ZINC000093866940 454741641 /nfs/dbraw/zinc/74/16/41/454741641.db2.gz DFPNTNUKBOPHOS-UHFFFAOYSA-N -1 3 338.249 3.393 20 10 EGCDHM CC[C@H]1c2ccsc2CCN1C(=O)CN(C)Cc1ccccc1[O-] ZINC000111235890 454859433 /nfs/dbraw/zinc/85/94/33/454859433.db2.gz JOHGAJHZDYQBLL-INIZCTEOSA-N -1 3 344.480 3.422 20 10 EGCDHM Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000185084182 455498220 /nfs/dbraw/zinc/49/82/20/455498220.db2.gz XVGFGWBPUMMWGJ-LBPRGKRZSA-N -1 3 326.375 3.271 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)c([O-])c1O ZINC000179520245 455054883 /nfs/dbraw/zinc/05/48/83/455054883.db2.gz NAPVCZOPWSHBKN-PBHICJAKSA-N -1 3 341.407 3.317 20 10 EGCDHM Cc1ccc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)c([O-])c1O ZINC000182836269 455175233 /nfs/dbraw/zinc/17/52/33/455175233.db2.gz HJSJQNKYCGEBPU-UHFFFAOYSA-N -1 3 327.380 3.164 20 10 EGCDHM Cc1ccc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)c([O-])c1O ZINC000182838589 455175267 /nfs/dbraw/zinc/17/52/67/455175267.db2.gz RVUCYPBFSWOUNE-HNNXBMFYSA-N -1 3 326.396 3.123 20 10 EGCDHM CC[C@@]1(CO)CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000190215388 455288614 /nfs/dbraw/zinc/28/86/14/455288614.db2.gz NYZCGEASEDOEIN-OAHLLOKOSA-N -1 3 328.250 3.139 20 10 EGCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)c([O-])c1O ZINC000158545985 455311662 /nfs/dbraw/zinc/31/16/62/455311662.db2.gz WPWNGXZAHOBFMS-GOEBONIOSA-N -1 3 327.380 3.056 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c([O-])c1O ZINC000182607929 455551526 /nfs/dbraw/zinc/55/15/26/455551526.db2.gz ROSJWGCIVCCEHR-FZMZJTMJSA-N -1 3 333.409 3.070 20 10 EGCDHM C[C@@H](NCC(=O)NCCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000186307344 455739989 /nfs/dbraw/zinc/73/99/89/455739989.db2.gz LUPXINBOWAZVLM-CYBMUJFWSA-N -1 3 332.831 3.055 20 10 EGCDHM C[C@@H](c1ccc(F)cc1)N1CC[C@H](N(C)Cc2ccccc2[O-])C1=O ZINC000292767070 455752284 /nfs/dbraw/zinc/75/22/84/455752284.db2.gz JHCQOSRGNVRYDE-KSSFIOAISA-N -1 3 342.414 3.325 20 10 EGCDHM COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1C ZINC000278147567 455769921 /nfs/dbraw/zinc/76/99/21/455769921.db2.gz BUNDAGOQKHRJOD-UHFFFAOYSA-N -1 3 346.383 3.258 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@@H]3CCCCN3c3ccccc32)c([O-])c1O ZINC000294428149 455814858 /nfs/dbraw/zinc/81/48/58/455814858.db2.gz UYQWUCXRLHSRKN-AWEZNQCLSA-N -1 3 338.407 3.426 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000285327480 455823890 /nfs/dbraw/zinc/82/38/90/455823890.db2.gz XGSWJQGKNJLUDB-TZMCWYRMSA-N -1 3 326.780 3.097 20 10 EGCDHM Cc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c([O-])c1O ZINC000272685345 456038694 /nfs/dbraw/zinc/03/86/94/456038694.db2.gz UHGAWVGFMBDSHA-UHFFFAOYSA-N -1 3 327.380 3.132 20 10 EGCDHM COc1cc(Cl)cc(CN2CCOc3cc(O)ccc3C2)c1[O-] ZINC000289511988 456128583 /nfs/dbraw/zinc/12/85/83/456128583.db2.gz GVFBXAUYJRGQIT-UHFFFAOYSA-N -1 3 335.787 3.154 20 10 EGCDHM Cc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(F)cc3[O-])C2=O)cc1 ZINC000189088579 456222972 /nfs/dbraw/zinc/22/29/72/456222972.db2.gz VBACMGYFODPMSM-KBXCAEBGSA-N -1 3 342.414 3.291 20 10 EGCDHM C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000290919834 456467233 /nfs/dbraw/zinc/46/72/33/456467233.db2.gz NTDKSBQBRBMRHU-GASCZTMLSA-N -1 3 345.464 3.067 20 10 EGCDHM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1cccc(O)c1[O-] ZINC000298829648 456550415 /nfs/dbraw/zinc/55/04/15/456550415.db2.gz CBNWZZCDRFICMJ-CQSZACIVSA-N -1 3 329.400 3.195 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000375671368 458013752 /nfs/dbraw/zinc/01/37/52/458013752.db2.gz HLQNINBYEKQOTM-LLVKDONJSA-N -1 3 339.800 3.026 20 10 EGCDHM COc1ccc(N2CCC(NC(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000726627840 574564166 /nfs/dbraw/zinc/56/41/66/574564166.db2.gz NVVCEJWTOWMEKY-UHFFFAOYSA-N -1 3 340.423 3.108 20 10 EGCDHM O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cc([O-])cs1 ZINC000732273078 575251789 /nfs/dbraw/zinc/25/17/89/575251789.db2.gz VMICAGAWYVHTLT-UHFFFAOYSA-N -1 3 331.315 3.325 20 10 EGCDHM COc1cc(COC(=O)c2cc([O-])cs2)ccc1OC(F)F ZINC000732354853 575261919 /nfs/dbraw/zinc/26/19/19/575261919.db2.gz TZMZOUFIGVFCJS-UHFFFAOYSA-N -1 3 330.308 3.421 20 10 EGCDHM CCc1ccc([C@H](C)NC(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000732354692 575261959 /nfs/dbraw/zinc/26/19/59/575261959.db2.gz QOFPJCFUDQIUSZ-NSHDSACASA-N -1 3 333.409 3.050 20 10 EGCDHM CN(C)c1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1F ZINC000736779972 576027335 /nfs/dbraw/zinc/02/73/35/576027335.db2.gz NWJNBMYGRFYJEQ-UHFFFAOYSA-N -1 3 346.797 3.337 20 10 EGCDHM CN(C)c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1F ZINC000736779972 576027339 /nfs/dbraw/zinc/02/73/39/576027339.db2.gz NWJNBMYGRFYJEQ-UHFFFAOYSA-N -1 3 346.797 3.337 20 10 EGCDHM COc1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1[O-] ZINC000742831113 576796120 /nfs/dbraw/zinc/79/61/20/576796120.db2.gz SBCSQHLUCKFVTP-UHFFFAOYSA-N -1 3 340.423 3.321 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])ccc3ccncc32)C[C@H](C(F)(F)F)O1 ZINC000744444505 576828586 /nfs/dbraw/zinc/82/85/86/576828586.db2.gz PLTIIGLWERBLEP-MEBBXXQBSA-N -1 3 326.318 3.092 20 10 EGCDHM CCOc1ccc(N(C)Cc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000821421621 607068027 /nfs/dbraw/zinc/06/80/27/607068027.db2.gz ANEMCZZHQMVBRJ-UHFFFAOYSA-N -1 3 327.363 3.041 20 10 EGCDHM CCOc1ccc(N(C)Cc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000821421621 607068029 /nfs/dbraw/zinc/06/80/29/607068029.db2.gz ANEMCZZHQMVBRJ-UHFFFAOYSA-N -1 3 327.363 3.041 20 10 EGCDHM C[C@@H](N[C@@H](C)c1ccn(C)n1)c1cc(Br)c(F)cc1[O-] ZINC000840818757 1321155645 /nfs/dbraw/zinc/15/56/45/1321155645.db2.gz ZLNLROUTSDQAST-BDAKNGLRSA-N -1 3 342.212 3.439 20 10 EGCDHM CCOC(=O)CN(Cc1c([O-])ccc2ccccc21)CC(F)(F)F ZINC000063453329 1292008674 /nfs/dbraw/zinc/00/86/74/1292008674.db2.gz AHTRMDRZJXPAEI-UHFFFAOYSA-N -1 3 341.329 3.473 20 10 EGCDHM CN1C(=O)c2ccccc2N[C@@H]1c1cc(O)cc(Br)c1[O-] ZINC000077472143 1292467558 /nfs/dbraw/zinc/46/75/58/1292467558.db2.gz STAUUQPEENPHQB-AWEZNQCLSA-N -1 3 349.184 3.057 20 10 EGCDHM CN1C(=O)c2ccccc2N[C@H]1c1cc(O)cc(Br)c1[O-] ZINC000077472141 1292467676 /nfs/dbraw/zinc/46/76/76/1292467676.db2.gz STAUUQPEENPHQB-CQSZACIVSA-N -1 3 349.184 3.057 20 10 EGCDHM C[C@H](NCc1nnc(C2CC2)[nH]1)c1cccc(C(F)(F)F)c1[O-] ZINC000834870146 1293159545 /nfs/dbraw/zinc/15/95/45/1293159545.db2.gz GWLMDMKMQOVBFD-QMMMGPOBSA-N -1 3 326.322 3.257 20 10 EGCDHM CC[C@@H](Nc1ccc(O[C@H]2CC(=O)N2)cc1)c1ccc(F)cc1[O-] ZINC000834894296 1293166594 /nfs/dbraw/zinc/16/65/94/1293166594.db2.gz SCGBMFWFXCAVSV-QAPCUYQASA-N -1 3 330.359 3.319 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)c([O-])c1O ZINC000181836494 1294995265 /nfs/dbraw/zinc/99/52/65/1294995265.db2.gz CHYBSYXSFMQBOE-UHFFFAOYSA-N -1 3 342.395 3.044 20 10 EGCDHM O=C(NC[C@@H](O)c1ccc(-c2ccccc2)cc1)c1cccc(O)c1[O-] ZINC000193165044 1295839303 /nfs/dbraw/zinc/83/93/03/1295839303.db2.gz TTYNNLVSQQUIGB-LJQANCHMSA-N -1 3 349.386 3.228 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])Cc1nccc(C)n1 ZINC000756542750 1300517748 /nfs/dbraw/zinc/51/77/48/1300517748.db2.gz JXFGPKRBRZPIFA-UHFFFAOYSA-N -1 3 336.233 3.275 20 10 EGCDHM C[C@@H](NCc1cn(-c2ccccc2)nn1)c1cc(Cl)ccc1[O-] ZINC000756742417 1300558511 /nfs/dbraw/zinc/55/85/11/1300558511.db2.gz MEQIECQFVALHBC-GFCCVEGCSA-N -1 3 328.803 3.477 20 10 EGCDHM CNC(=O)CCOc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000757593349 1300689646 /nfs/dbraw/zinc/68/96/46/1300689646.db2.gz MCINQJGXFWUTJX-LBPRGKRZSA-N -1 3 332.375 3.219 20 10 EGCDHM COCC(=O)N1CCc2cc(N[C@H](C)c3c([O-])cccc3F)ccc21 ZINC000886593886 1303516121 /nfs/dbraw/zinc/51/61/21/1303516121.db2.gz BFUYMHVNMUWMCJ-GFCCVEGCSA-N -1 3 344.386 3.240 20 10 EGCDHM COc1c([O-])c(CNCc2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC000774989600 1303886576 /nfs/dbraw/zinc/88/65/76/1303886576.db2.gz HYGUOVQXVQYLDL-UHFFFAOYSA-N -1 3 340.738 3.391 20 10 EGCDHM COc1c([O-])c(CN[C@H]2CSc3ccccc32)ccc1[N+](=O)[O-] ZINC000775029296 1303892168 /nfs/dbraw/zinc/89/21/68/1303892168.db2.gz ZXLWZCUMVDZBCO-LBPRGKRZSA-N -1 3 332.381 3.246 20 10 EGCDHM COc1c([O-])c(CN2C[C@@H](C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000775069858 1303901301 /nfs/dbraw/zinc/90/13/01/1303901301.db2.gz VNPBYCKRXQYKRX-LLVKDONJSA-N -1 3 330.340 3.097 20 10 EGCDHM COc1cccc([O-])c1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000775148087 1303916771 /nfs/dbraw/zinc/91/67/71/1303916771.db2.gz XJVVDKZWEPOLAV-UHFFFAOYSA-N -1 3 338.201 3.159 20 10 EGCDHM CN(Cc1cc(Cl)cc(F)c1[O-])C[C@H]1COc2ccccc2O1 ZINC000775643137 1304001689 /nfs/dbraw/zinc/00/16/89/1304001689.db2.gz NAHBRHIYNUGEKU-ZDUSSCGKSA-N -1 3 337.778 3.457 20 10 EGCDHM COc1ccc([C@H](CO)N(C)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775701442 1304018195 /nfs/dbraw/zinc/01/81/95/1304018195.db2.gz WEORSELHTMRYPR-INIZCTEOSA-N -1 3 339.794 3.359 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)c([O-])c1O ZINC000780968998 1304756336 /nfs/dbraw/zinc/75/63/36/1304756336.db2.gz NKLMANNWDCSEEY-CYBMUJFWSA-N -1 3 337.379 3.464 20 10 EGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc(C(F)(F)F)cs1 ZINC000787804782 1305797748 /nfs/dbraw/zinc/79/77/48/1305797748.db2.gz XOOBIBGCBJOUJR-ZCFIWIBFSA-N -1 3 332.303 3.064 20 10 EGCDHM COc1cccc(C2(CNC(=O)c3cccc(O)c3[O-])CCCC2)c1 ZINC000790667924 1306371196 /nfs/dbraw/zinc/37/11/96/1306371196.db2.gz GTJKSMGUGFIQCZ-UHFFFAOYSA-N -1 3 341.407 3.348 20 10 EGCDHM CO[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1C ZINC000894905888 1309122530 /nfs/dbraw/zinc/12/25/30/1309122530.db2.gz WMSKNFIVMQTZPR-RNCFNFMXSA-N -1 3 332.213 3.151 20 10 EGCDHM CCCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@H](CC)C(=O)OCC ZINC000792376293 1309166016 /nfs/dbraw/zinc/16/60/16/1309166016.db2.gz LVQUGDXETFCGFB-MRXNPFEDSA-N -1 3 339.407 3.288 20 10 EGCDHM COc1c([O-])c(CN2CCC(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000793621558 1309419391 /nfs/dbraw/zinc/41/93/91/1309419391.db2.gz YLTNYDPZADLPHK-UHFFFAOYSA-N -1 3 348.321 3.473 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCOc3ccc(C)cc3C2)c1[O-] ZINC000796434008 1309998515 /nfs/dbraw/zinc/99/85/15/1309998515.db2.gz IASRBXBLUOQMNQ-UHFFFAOYSA-N -1 3 329.371 3.437 20 10 EGCDHM CC(C)(C)N1CC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000897770437 1310461679 /nfs/dbraw/zinc/46/16/79/1310461679.db2.gz VUYDUIXJNHDHTR-LBPRGKRZSA-N -1 3 331.243 3.188 20 10 EGCDHM CC[C@@H](N[C@@H](C)c1ncn(C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238027 1317983711 /nfs/dbraw/zinc/98/37/11/1317983711.db2.gz HIAPELIVOZJBIE-JOYOIKCWSA-N -1 3 328.338 3.341 20 10 EGCDHM C[C@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815557315 1319014464 /nfs/dbraw/zinc/01/44/64/1319014464.db2.gz QQUPZQVIYNXAEL-HZMBPMFUSA-N -1 3 338.329 3.288 20 10 EGCDHM C[C@H](NCc1nnc2n1CCCC2)c1cccc(C(F)(F)F)c1[O-] ZINC000815616605 1319029542 /nfs/dbraw/zinc/02/95/42/1319029542.db2.gz SQQUHJMTCRSYIX-JTQLQIEISA-N -1 3 340.349 3.190 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCSC[C@@H]2C2CC2)c1[O-] ZINC000824913560 1320295678 /nfs/dbraw/zinc/29/56/78/1320295678.db2.gz BCNXHTZFKWVYCN-CYBMUJFWSA-N -1 3 328.821 3.281 20 10 EGCDHM [O-]c1cccc(CNCc2ccc3c(c2)CCO3)c1Br ZINC000838921862 1320835749 /nfs/dbraw/zinc/83/57/49/1320835749.db2.gz FNMDMQZFGHQYJM-UHFFFAOYSA-N -1 3 334.213 3.379 20 10 EGCDHM CN(C)c1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000840997206 1321196583 /nfs/dbraw/zinc/19/65/83/1321196583.db2.gz NGDOWDAAQORHNS-LBPRGKRZSA-N -1 3 344.377 3.458 20 10 EGCDHM C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccc(Cl)cc1[O-] ZINC000841751138 1321306262 /nfs/dbraw/zinc/30/62/62/1321306262.db2.gz LJKXLVDRLHPPJA-GFCCVEGCSA-N -1 3 333.819 3.450 20 10 EGCDHM CCOC(=O)CC(C)(C)CC(=O)C([O-])=Cc1c(F)cccc1F ZINC000843514731 1321524792 /nfs/dbraw/zinc/52/47/92/1321524792.db2.gz ULARPTCKEBTZGU-UHFFFAOYSA-N -1 3 326.339 3.015 20 10 EGCDHM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000921205951 1322272867 /nfs/dbraw/zinc/27/28/67/1322272867.db2.gz MVAXFCWXKGIMSN-UHFFFAOYSA-N -1 3 348.424 3.178 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000928250731 1328257048 /nfs/dbraw/zinc/25/70/48/1328257048.db2.gz ANRBLDIOKNQBAW-LLVKDONJSA-N -1 3 344.436 3.063 20 10 EGCDHM Cc1cc([O-])c(CN[C@H](c2cnn(C)c2)C(F)(F)F)cc1Cl ZINC000862364622 1329478198 /nfs/dbraw/zinc/47/81/98/1329478198.db2.gz FOCAYRQSEPOHIL-CYBMUJFWSA-N -1 3 333.741 3.481 20 10 EGCDHM CCCO[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299729 1378713437 /nfs/dbraw/zinc/71/34/37/1378713437.db2.gz HNSSHZGNDQFJKI-LLVKDONJSA-N -1 3 332.213 3.295 20 10 EGCDHM O=C1CCN(Cc2cc(Br)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC001203635698 1370196041 /nfs/dbraw/zinc/19/60/41/1370196041.db2.gz DVXVGUNRNHHVQV-KBPBESRZSA-N -1 3 338.245 3.488 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H](c2ccccn2)C1 ZINC001203645810 1370199451 /nfs/dbraw/zinc/19/94/51/1370199451.db2.gz SYMSGQBBPBGVCP-MRXNPFEDSA-N -1 3 349.228 3.123 20 10 EGCDHM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1cc(Cl)ccc1[O-] ZINC001203665453 1370208126 /nfs/dbraw/zinc/20/81/26/1370208126.db2.gz KLHPXQKDHAVBTL-CQSZACIVSA-N -1 3 344.842 3.392 20 10 EGCDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c3nonc3ccc2Cl)c1 ZINC001117548393 1371052483 /nfs/dbraw/zinc/05/24/83/1371052483.db2.gz RCOKCPAZWDPRCK-UHFFFAOYSA-N -1 3 332.703 3.345 20 10 EGCDHM [O-]c1c(Cl)cccc1Nc1ncnn2c(Br)ccc12 ZINC001210215477 1372295812 /nfs/dbraw/zinc/29/58/12/1372295812.db2.gz GNOHYPGHYAWKCX-UHFFFAOYSA-N -1 3 339.580 3.016 20 10 EGCDHM Cc1ccc(C)n1-c1ccc(-c2noc(-c3cnc[n-]c3=O)n2)cc1 ZINC001212754606 1372766219 /nfs/dbraw/zinc/76/62/19/1372766219.db2.gz FPCTYEORAUXPOH-UHFFFAOYSA-N -1 3 333.351 3.307 20 10 EGCDHM CCOc1cc(-c2noc(-c3cccc(O)c3[O-])n2)ccc1OC ZINC001215145669 1373178034 /nfs/dbraw/zinc/17/80/34/1373178034.db2.gz BBNLPYFNMILCOF-UHFFFAOYSA-N -1 3 328.324 3.222 20 10 EGCDHM C[C@@H](Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O)c1cncnc1 ZINC001226380052 1375249279 /nfs/dbraw/zinc/24/92/79/1375249279.db2.gz MWKTXIUEXOBFMM-LLVKDONJSA-N -1 3 346.342 3.098 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccc(F)n1 ZINC001188721908 1388368485 /nfs/dbraw/zinc/36/84/85/1388368485.db2.gz WGDXFGQRWGLFJG-UHFFFAOYSA-N -1 3 331.734 3.058 20 10 EGCDHM CC[C@@H](CC(=O)OC)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937427 1375493231 /nfs/dbraw/zinc/49/32/31/1375493231.db2.gz KCCSWTJNCPJADA-ZDUSSCGKSA-N -1 3 344.363 3.049 20 10 EGCDHM COc1cccc([C@@H]2CCC[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)c1 ZINC001231566010 1376267150 /nfs/dbraw/zinc/26/71/50/1376267150.db2.gz HHEGSUDQGPUGIW-MRXNPFEDSA-N -1 3 341.407 3.479 20 10 EGCDHM COc1cccc([C@@H]2CCC[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)c1 ZINC001231566010 1376267158 /nfs/dbraw/zinc/26/71/58/1376267158.db2.gz HHEGSUDQGPUGIW-MRXNPFEDSA-N -1 3 341.407 3.479 20 10 EGCDHM CCOC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2cn(C)nc21 ZINC001231868482 1376331818 /nfs/dbraw/zinc/33/18/18/1376331818.db2.gz UAMRTYYRQLJPEE-OAHLLOKOSA-N -1 3 349.862 3.223 20 10 EGCDHM COc1ccc(CN2CCN(Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC001231911369 1376346823 /nfs/dbraw/zinc/34/68/23/1376346823.db2.gz BJLKKNZZQIFZLQ-UHFFFAOYSA-N -1 3 346.858 3.372 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCC(Oc2ncc(F)cn2)CC1 ZINC001231913817 1376349572 /nfs/dbraw/zinc/34/95/72/1376349572.db2.gz SLOBILDJXSHAEK-UHFFFAOYSA-N -1 3 337.782 3.018 20 10 EGCDHM COc1cc([O-])c(CN2CCOC[C@H]2Cc2ccccc2)cc1Cl ZINC001232270585 1376428315 /nfs/dbraw/zinc/42/83/15/1376428315.db2.gz GLFILGMHXYWECJ-MRXNPFEDSA-N -1 3 347.842 3.498 20 10 EGCDHM [O-]c1ccc(F)c(F)c1CN1CCN(C2(c3ccccc3)CC2)CC1 ZINC001233335985 1376619941 /nfs/dbraw/zinc/61/99/41/1376619941.db2.gz TZIAVCXDKFKWNY-UHFFFAOYSA-N -1 3 344.405 3.477 20 10 EGCDHM CCCCOC(=O)[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237803114 1376987055 /nfs/dbraw/zinc/98/70/55/1376987055.db2.gz QLUKLDDSLAEFDI-LLVKDONJSA-N -1 3 329.799 3.350 20 10 EGCDHM CC(=O)c1ccc(N2CCN(Cc3cccc(F)c3[O-])CC2)cc1 ZINC001138128339 1377681175 /nfs/dbraw/zinc/68/11/75/1377681175.db2.gz DHCVNFIDKDIGND-UHFFFAOYSA-N -1 3 328.387 3.056 20 10 EGCDHM Cc1ccc(C2(O)CCN(Cc3c([O-])c(F)ccc3F)CC2)cc1 ZINC001139684129 1377933769 /nfs/dbraw/zinc/93/37/69/1377933769.db2.gz HQHKLLFULQADGG-UHFFFAOYSA-N -1 3 333.378 3.462 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2Cc1c([O-])cccc1Cl ZINC001140338734 1378048560 /nfs/dbraw/zinc/04/85/60/1378048560.db2.gz NQEMMUPKKVQXKQ-RYUDHWBXSA-N -1 3 338.835 3.239 20 10 EGCDHM [O-]c1cc(F)cc(F)c1CN1CCC(COc2cccnc2)CC1 ZINC001140582799 1378089461 /nfs/dbraw/zinc/08/94/61/1378089461.db2.gz NBCPZWYDNCPSBI-UHFFFAOYSA-N -1 3 334.366 3.356 20 10 EGCDHM O=C(/C=C/c1ccccn1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142299198 1378431664 /nfs/dbraw/zinc/43/16/64/1378431664.db2.gz IYZPCMKMXPWCCM-VOTSOKGWSA-N -1 3 339.782 3.318 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CCC2(CCCO2)CC1 ZINC001144306586 1378713705 /nfs/dbraw/zinc/71/37/05/1378713705.db2.gz HVSCTBMUOUUGDT-UHFFFAOYSA-N -1 3 344.224 3.439 20 10 EGCDHM CCc1oncc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001147504373 1379033835 /nfs/dbraw/zinc/03/38/35/1379033835.db2.gz PXRBYTMBDDRINJ-UHFFFAOYSA-N -1 3 331.759 3.074 20 10 EGCDHM O=C(Nc1ccc(OC[C@H]2CCCO2)c(F)c1)c1cccc(O)c1[O-] ZINC001148218493 1379134634 /nfs/dbraw/zinc/13/46/34/1379134634.db2.gz BWNUCHZUNRQMMW-GFCCVEGCSA-N -1 3 347.342 3.047 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCOC[C@H]1C1CCC1 ZINC001328762547 1388847434 /nfs/dbraw/zinc/84/74/34/1388847434.db2.gz NMGDQNDILYRCFX-AWEZNQCLSA-N -1 3 326.234 3.156 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1C[C@H]1C(F)(F)F ZINC001182328972 1387149331 /nfs/dbraw/zinc/14/93/31/1387149331.db2.gz NOMRETOQDRPXIF-NXEZZACHSA-N -1 3 344.720 3.408 20 10 EGCDHM CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])C12CCCC2 ZINC001596833373 985469150 /nfs/dbraw/zinc/46/91/50/985469150.db2.gz NFAQBTOJFSVGLG-AFAVFJNCSA-N -1 3 333.428 3.479 20 10 EGCDHM C[C@@H](N[C@H](CCO)c1ccccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593211157 994261239 /nfs/dbraw/zinc/26/12/39/994261239.db2.gz VMKHHXMPBVRVID-BDJLRTHQSA-N -1 3 333.359 3.004 20 10 EGCDHM C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593232114 994382415 /nfs/dbraw/zinc/38/24/15/994382415.db2.gz MIODSCLQOXEXSU-PNPHSEOMSA-N -1 3 342.395 3.056 20 10 EGCDHM COc1cccc(C[C@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C(=O)[O-])c1 ZINC001607321616 1126233089 /nfs/dbraw/zinc/23/30/89/1126233089.db2.gz KOIVFJCOVVKJOL-INIZCTEOSA-N -1 3 349.814 3.148 20 10 EGCDHM Cc1ccc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c([O-])c1O ZINC000286361924 456032873 /nfs/dbraw/zinc/03/28/73/456032873.db2.gz TTXDYRMXRUSIJV-IINYFYTJSA-N -1 3 330.211 3.062 20 10 EGCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC=CC1 ZINC000158066075 455265504 /nfs/dbraw/zinc/26/55/04/455265504.db2.gz IISSURDMRRDMIF-INIZCTEOSA-N -1 3 334.847 3.092 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCCN(Cc2cscn2)CC1 ZINC000093016034 454671627 /nfs/dbraw/zinc/67/16/27/454671627.db2.gz PYQIAUVPBJKFQB-UHFFFAOYSA-N -1 3 337.876 3.210 20 10 EGCDHM C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)Cc1ccccc1[O-] ZINC000109769497 454836065 /nfs/dbraw/zinc/83/60/65/454836065.db2.gz VGKYNEAYFOEBBL-LFPRZYRFSA-N -1 3 342.483 3.298 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(c3nc(C)no3)CC2)c1[O-] ZINC000177263200 454843893 /nfs/dbraw/zinc/84/38/93/454843893.db2.gz ONRBXPNXXUOVTJ-UHFFFAOYSA-N -1 3 349.818 3.319 20 10 EGCDHM Cc1ccccc1CN(C)C(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000111236039 454859325 /nfs/dbraw/zinc/85/93/25/454859325.db2.gz WWUWDMGMOSVGES-MRXNPFEDSA-N -1 3 326.440 3.180 20 10 EGCDHM COc1cc(CN[C@@H](C)c2ccc(F)cc2[O-])cc(OC)c1OC ZINC000170788968 454978110 /nfs/dbraw/zinc/97/81/10/454978110.db2.gz VQMNQRPBFFIVOX-NSHDSACASA-N -1 3 335.375 3.408 20 10 EGCDHM O=C(c1ccc(F)cc1)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179921983 455100077 /nfs/dbraw/zinc/10/00/77/455100077.db2.gz XDAQCTCGZALTTO-UHFFFAOYSA-N -1 3 346.377 3.019 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC(F)(F)F ZINC000266511892 455430030 /nfs/dbraw/zinc/43/00/30/455430030.db2.gz HZYWFQMLOIZQGB-UHFFFAOYSA-N -1 3 340.139 3.456 20 10 EGCDHM CCn1cc([C@H]2CN(Cc3cc(Cl)cc(C)c3[O-])CCO2)cn1 ZINC000191695650 455510402 /nfs/dbraw/zinc/51/04/02/455510402.db2.gz WYHHADXIAVOIQV-MRXNPFEDSA-N -1 3 335.835 3.144 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2cccc(F)c2)CC1 ZINC000186966483 455856609 /nfs/dbraw/zinc/85/66/09/455856609.db2.gz FWEJIIHBGMOGRP-UHFFFAOYSA-N -1 3 329.371 3.332 20 10 EGCDHM Cc1cc(Br)cc(CN[C@H](CCO)c2ccco2)c1[O-] ZINC000187529789 455922193 /nfs/dbraw/zinc/92/21/93/455922193.db2.gz KRIQGAHUKFAQME-CYBMUJFWSA-N -1 3 340.217 3.269 20 10 EGCDHM CC[C@@H](N[C@@H](C)C(=O)NCCF)c1cc(Cl)cc(Cl)c1[O-] ZINC000286988653 456058878 /nfs/dbraw/zinc/05/88/78/456058878.db2.gz JMEYIFFFRZGPSX-QPUJVOFHSA-N -1 3 337.222 3.214 20 10 EGCDHM COc1c([O-])c(CNc2ccc(F)c([C@H](C)O)c2)ccc1[N+](=O)[O-] ZINC000289861078 456158026 /nfs/dbraw/zinc/15/80/26/456158026.db2.gz VJMGNARFSJIDDX-VIFPVBQESA-N -1 3 336.319 3.114 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(OC)ccc2OC)c1 ZINC000273361279 456225935 /nfs/dbraw/zinc/22/59/35/456225935.db2.gz DASFAOLHVWIFKS-LBPRGKRZSA-N -1 3 345.395 3.047 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(OC)c(F)c2)c1 ZINC000273415976 456229123 /nfs/dbraw/zinc/22/91/23/456229123.db2.gz QYNBIMCYRKTGHV-LLVKDONJSA-N -1 3 333.359 3.177 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)c1noc(C)n1 ZINC000290080121 456234444 /nfs/dbraw/zinc/23/44/44/456234444.db2.gz UZOPZOHBEBVNAY-VIFPVBQESA-N -1 3 340.221 3.429 20 10 EGCDHM O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cccc(O)c1[O-] ZINC000275166827 456270893 /nfs/dbraw/zinc/27/08/93/456270893.db2.gz VRAKLWKIKRLYRR-NVXWUHKLSA-N -1 3 343.379 3.032 20 10 EGCDHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc(F)ccc1[O-] ZINC000290601034 456378709 /nfs/dbraw/zinc/37/87/09/456378709.db2.gz VXELISHJHWBUIP-GFCCVEGCSA-N -1 3 330.407 3.357 20 10 EGCDHM COc1cc(Cl)cc(CN2CC[C@H](n3cc(Cl)cn3)C2)c1[O-] ZINC000290881865 456457391 /nfs/dbraw/zinc/45/73/91/456457391.db2.gz KVZUBRLTOTUGKW-ZDUSSCGKSA-N -1 3 342.226 3.351 20 10 EGCDHM CCc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1[O-] ZINC000291974793 456816090 /nfs/dbraw/zinc/81/60/90/456816090.db2.gz QFWZLNPYBYZGMU-UHFFFAOYSA-N -1 3 326.396 3.060 20 10 EGCDHM Cc1cc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)ncn1 ZINC000301220013 456825034 /nfs/dbraw/zinc/82/50/34/456825034.db2.gz ADABNMXOFASISH-HNNXBMFYSA-N -1 3 332.835 3.221 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(OCC3CC3)CC2)c1[O-] ZINC000378340041 457392216 /nfs/dbraw/zinc/39/22/16/457392216.db2.gz FVQTYNDUMDZJLY-UHFFFAOYSA-N -1 3 340.807 3.345 20 10 EGCDHM COc1cc(Cl)cc(CN2CCC[C@H]2c2cn(C)nc2C)c1[O-] ZINC000363910843 457461769 /nfs/dbraw/zinc/46/17/69/457461769.db2.gz WXXNEQSHUDEUGC-HNNXBMFYSA-N -1 3 335.835 3.433 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000374910183 457732900 /nfs/dbraw/zinc/73/29/00/457732900.db2.gz KPDNNLGYAPQITM-CYBMUJFWSA-N -1 3 325.836 3.063 20 10 EGCDHM O=C1Nc2ccccc2[C@]12CCN(Cc1c([O-])ccc(Cl)c1F)C2 ZINC000375463192 457939454 /nfs/dbraw/zinc/93/94/54/457939454.db2.gz ZMXLWILRXSSTPE-GOSISDBHSA-N -1 3 346.789 3.281 20 10 EGCDHM COc1ccc(C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000376851645 458406346 /nfs/dbraw/zinc/40/63/46/458406346.db2.gz MPXKPRLHIAEKAC-UHFFFAOYSA-N -1 3 341.407 3.435 20 10 EGCDHM CC[C@H](NCc1cnnn1CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000527912600 459770521 /nfs/dbraw/zinc/77/05/21/459770521.db2.gz FRFRVENKZUEWSN-ZDUSSCGKSA-N -1 3 328.338 3.263 20 10 EGCDHM Cc1ccc(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c([O-])c1O ZINC000182897656 547086789 /nfs/dbraw/zinc/08/67/89/547086789.db2.gz HMTYMACXGPQKNX-YOEHRIQHSA-N -1 3 341.407 3.304 20 10 EGCDHM COc1ccc(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000365560204 547777338 /nfs/dbraw/zinc/77/73/38/547777338.db2.gz USXABJJADNTXAW-UHFFFAOYSA-N -1 3 327.380 3.126 20 10 EGCDHM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc([O-])cs1 ZINC000731867281 575216306 /nfs/dbraw/zinc/21/63/06/575216306.db2.gz QRKJBBXSEWOIOL-UHFFFAOYSA-N -1 3 345.342 3.463 20 10 EGCDHM CCc1ccc(CN(C)C(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000732202686 575244354 /nfs/dbraw/zinc/24/43/54/575244354.db2.gz BULLFBBQGHOBJH-UHFFFAOYSA-N -1 3 326.440 3.045 20 10 EGCDHM Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000732354107 575261609 /nfs/dbraw/zinc/26/16/09/575261609.db2.gz ZWWNOZJIBPOKGZ-UHFFFAOYSA-N -1 3 325.773 3.211 20 10 EGCDHM Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354521 575261621 /nfs/dbraw/zinc/26/16/21/575261621.db2.gz UFUZLIZKBBXPMB-NEPJUHHUSA-N -1 3 333.409 3.185 20 10 EGCDHM COc1ccc(O)c(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)c1 ZINC000734018888 575427787 /nfs/dbraw/zinc/42/77/87/575427787.db2.gz LZGRZQPLUGCIRF-UHFFFAOYSA-N -1 3 341.741 3.462 20 10 EGCDHM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(OCC)cc1[O-] ZINC000742442983 576784754 /nfs/dbraw/zinc/78/47/54/576784754.db2.gz RYZAZQKGDYADLP-QGZVFWFLSA-N -1 3 332.444 3.334 20 10 EGCDHM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cc([O-])cs2)n1 ZINC000743798533 576816060 /nfs/dbraw/zinc/81/60/60/576816060.db2.gz NODDYWSKQPYOMF-SECBINFHSA-N -1 3 345.380 3.003 20 10 EGCDHM C[C@H](NCc1cccc(Br)c1[O-])c1nnc2ccccn21 ZINC000048796023 1291618941 /nfs/dbraw/zinc/61/89/41/1291618941.db2.gz OIPMMUAKGBQNMM-JTQLQIEISA-N -1 3 347.216 3.048 20 10 EGCDHM CCS[C@@H](C)c1noc(CN(C)Cc2cc(F)ccc2[O-])n1 ZINC000180280999 1294875624 /nfs/dbraw/zinc/87/56/24/1294875624.db2.gz GNLWEYHDDDIGQP-JTQLQIEISA-N -1 3 325.409 3.360 20 10 EGCDHM O=C(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1cccc(O)c1[O-] ZINC000193064395 1295831831 /nfs/dbraw/zinc/83/18/31/1295831831.db2.gz CQJGTXCKXGSMRF-UHFFFAOYSA-N -1 3 346.346 3.288 20 10 EGCDHM [O-]c1c(F)cc(F)cc1CNCc1cccnc1OCC(F)(F)F ZINC000882887191 1302149336 /nfs/dbraw/zinc/14/93/36/1302149336.db2.gz GDNOPKJOTDGXEP-UHFFFAOYSA-N -1 3 348.271 3.296 20 10 EGCDHM CC[C@H](C)NC(=O)c1cccc(CNCc2cc(F)cc(F)c2[O-])c1 ZINC000882896083 1302152231 /nfs/dbraw/zinc/15/22/31/1302152231.db2.gz AQKNOJXWDAZDJZ-LBPRGKRZSA-N -1 3 348.393 3.489 20 10 EGCDHM CCS(=O)(=O)c1ccc(CN[C@H](C)c2c([O-])cccc2F)s1 ZINC000886603133 1303519354 /nfs/dbraw/zinc/51/93/54/1303519354.db2.gz HULNCDRNRQWUSA-SNVBAGLBSA-N -1 3 343.445 3.237 20 10 EGCDHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(N(C)C)cc1 ZINC000773086672 1303622917 /nfs/dbraw/zinc/62/29/17/1303622917.db2.gz FTJFGOJHDNUBTF-LLVKDONJSA-N -1 3 340.395 3.070 20 10 EGCDHM COc1c([O-])c(CNCc2ccc([C@H]3C[C@H]3C)o2)ccc1[N+](=O)[O-] ZINC000774974977 1303885395 /nfs/dbraw/zinc/88/53/95/1303885395.db2.gz GPTQVDHYDYELKS-MFKMUULPSA-N -1 3 332.356 3.315 20 10 EGCDHM COc1ccc(OC(F)F)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780893698 1304748690 /nfs/dbraw/zinc/74/86/90/1304748690.db2.gz YVXQEKLDOKTWII-UHFFFAOYSA-N -1 3 339.294 3.269 20 10 EGCDHM CC(=O)Nc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1Cl ZINC000780909303 1304750995 /nfs/dbraw/zinc/75/09/95/1304750995.db2.gz ZVRVGKNVHUXJGB-UHFFFAOYSA-N -1 3 334.759 3.270 20 10 EGCDHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780946354 1304754565 /nfs/dbraw/zinc/75/45/65/1304754565.db2.gz YWRHDFRKIMHUEQ-UHFFFAOYSA-N -1 3 335.743 3.099 20 10 EGCDHM Cc1ccc(Br)cc1CNC(=O)c1cccc(O)c1[O-] ZINC000784620944 1305265473 /nfs/dbraw/zinc/26/54/73/1305265473.db2.gz WHIBRAIKHRMMPU-UHFFFAOYSA-N -1 3 336.185 3.099 20 10 EGCDHM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1cccc(O)c1[O-] ZINC000790878328 1308878981 /nfs/dbraw/zinc/87/89/81/1308878981.db2.gz RTTWFLYCLHHOSV-AWEZNQCLSA-N -1 3 325.364 3.274 20 10 EGCDHM O=C(NCCCOc1ccc2ccccc2c1)c1cccc(O)c1[O-] ZINC000790889153 1308881324 /nfs/dbraw/zinc/88/13/24/1308881324.db2.gz IRLZMRNJDABDAI-UHFFFAOYSA-N -1 3 337.375 3.450 20 10 EGCDHM CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000790923240 1308888099 /nfs/dbraw/zinc/88/80/99/1308888099.db2.gz UENPVSKYRVNCKK-HWPZZCPQSA-N -1 3 335.787 3.257 20 10 EGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000894689812 1309023810 /nfs/dbraw/zinc/02/38/10/1309023810.db2.gz JOSAOHYGKTWUJB-KGLIPLIRSA-N -1 3 344.224 3.437 20 10 EGCDHM O=C1C[C@]2(CCN(Cc3cc(F)cc(F)c3[O-])C2)Oc2ccccc21 ZINC000894993128 1309147378 /nfs/dbraw/zinc/14/73/78/1309147378.db2.gz GJHJXWUDQXFIID-IBGZPJMESA-N -1 3 345.345 3.280 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCn2c(cnc2C(F)(F)F)C1 ZINC000896934250 1310091795 /nfs/dbraw/zinc/09/17/95/1310091795.db2.gz KUJILYJRTHIEQC-UHFFFAOYSA-N -1 3 331.725 3.277 20 10 EGCDHM CN(Cc1ccccc1O)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000798197320 1310316937 /nfs/dbraw/zinc/31/69/37/1310316937.db2.gz QPMORZBRWJCOON-UHFFFAOYSA-N -1 3 345.782 3.490 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(Cl)c(CN(C)C)c2)c([O-])c1O ZINC000799057007 1310476904 /nfs/dbraw/zinc/47/69/04/1310476904.db2.gz KIOCRQIPMGMVOD-UHFFFAOYSA-N -1 3 334.803 3.374 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@]1(CO)CCCc2ccccc21 ZINC000799344179 1310531208 /nfs/dbraw/zinc/53/12/08/1310531208.db2.gz SVLLFJRFBIDICT-GOSISDBHSA-N -1 3 335.806 3.498 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)C[C@H]2c2ccccc2)c1[O-] ZINC000839632330 1320948379 /nfs/dbraw/zinc/94/83/79/1320948379.db2.gz GJDFNVKWECUWJE-WMZOPIPTSA-N -1 3 329.371 3.042 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OC(F)F)nc2)c1 ZINC000802320922 1316999610 /nfs/dbraw/zinc/99/96/10/1316999610.db2.gz KMFBSRORNPNSNY-VIFPVBQESA-N -1 3 338.310 3.348 20 10 EGCDHM COc1c([O-])c(CN(C)Cc2ccccc2N(C)C)ccc1[N+](=O)[O-] ZINC000809787846 1317901915 /nfs/dbraw/zinc/90/19/15/1317901915.db2.gz KQYJTYLBJUTISX-UHFFFAOYSA-N -1 3 345.399 3.007 20 10 EGCDHM CN(Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1COc2ccccc2O1 ZINC000816481728 1319162498 /nfs/dbraw/zinc/16/24/98/1319162498.db2.gz GYGNULJEFBELHR-GFCCVEGCSA-N -1 3 337.778 3.457 20 10 EGCDHM CCCN(Cc1ccccc1O)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000816914235 1319245676 /nfs/dbraw/zinc/24/56/76/1319245676.db2.gz JVXRSZNHMQTYPI-UHFFFAOYSA-N -1 3 327.380 3.353 20 10 EGCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])CC2(CCC2)O1 ZINC000843434633 1321518827 /nfs/dbraw/zinc/51/88/27/1321518827.db2.gz CEQMAURDJGCWAG-NSHDSACASA-N -1 3 326.234 3.298 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2c(OC)cccc2OC)c1 ZINC000850504775 1322258649 /nfs/dbraw/zinc/25/86/49/1322258649.db2.gz FEEJFIIXAONWDA-GFCCVEGCSA-N -1 3 345.395 3.047 20 10 EGCDHM C[C@@]1(Cc2ccccc2)SCCN1C(=O)c1cccc(O)c1[O-] ZINC000925456278 1325157978 /nfs/dbraw/zinc/15/79/78/1325157978.db2.gz VKDKJVYAAPOFIL-SFHVURJKSA-N -1 3 329.421 3.246 20 10 EGCDHM C[C@]1(O)CCCCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233027419 1376556984 /nfs/dbraw/zinc/55/69/84/1376556984.db2.gz RIRUDQSJEZZYLZ-AWEZNQCLSA-N -1 3 332.213 3.031 20 10 EGCDHM [O-]c1cccnc1CNC(=S)Nc1ccccc1OC(F)(F)F ZINC001198180846 1368974474 /nfs/dbraw/zinc/97/44/74/1368974474.db2.gz NTFFOZSSJRDIIY-UHFFFAOYSA-N -1 3 343.330 3.172 20 10 EGCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2nn(CC)cc21 ZINC001203656472 1370203404 /nfs/dbraw/zinc/20/34/04/1370203404.db2.gz PJUFVQMRPBWUCH-CQSZACIVSA-N -1 3 349.862 3.398 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001203665860 1370208847 /nfs/dbraw/zinc/20/88/47/1370208847.db2.gz YJCNICAJPJOVRM-OAHLLOKOSA-N -1 3 330.806 3.351 20 10 EGCDHM COc1cc(OC)cc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c1 ZINC001216952401 1373369989 /nfs/dbraw/zinc/36/99/89/1373369989.db2.gz YPQABERDDSCLFE-UHFFFAOYSA-N -1 3 348.742 3.485 20 10 EGCDHM [O-]c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)no2)c(Cl)c1O ZINC001216952393 1373370501 /nfs/dbraw/zinc/37/05/01/1373370501.db2.gz YIWQTMYCDMGPOF-UHFFFAOYSA-N -1 3 346.726 3.239 20 10 EGCDHM O=C([O-])c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)c(O)c1 ZINC001231446843 1376243831 /nfs/dbraw/zinc/24/38/31/1376243831.db2.gz LPFLQZUDNXSORE-UHFFFAOYSA-N -1 3 346.814 3.066 20 10 EGCDHM O=C([O-])c1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC001231446843 1376243835 /nfs/dbraw/zinc/24/38/35/1376243835.db2.gz LPFLQZUDNXSORE-UHFFFAOYSA-N -1 3 346.814 3.066 20 10 EGCDHM COc1cccc([C@H]2CCC[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)c1 ZINC001231566009 1376267081 /nfs/dbraw/zinc/26/70/81/1376267081.db2.gz HHEGSUDQGPUGIW-INIZCTEOSA-N -1 3 341.407 3.479 20 10 EGCDHM COc1cccc([C@H]2CCC[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)c1 ZINC001231566009 1376267088 /nfs/dbraw/zinc/26/70/88/1376267088.db2.gz HHEGSUDQGPUGIW-INIZCTEOSA-N -1 3 341.407 3.479 20 10 EGCDHM C[C@H]1CN(Cc2ccccc2)CCN1Cc1c([O-])ccc(F)c1F ZINC001233334473 1376618621 /nfs/dbraw/zinc/61/86/21/1376618621.db2.gz IKBWHKQGWKOUNI-AWEZNQCLSA-N -1 3 332.394 3.377 20 10 EGCDHM CCCCOC(=O)[C@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237803119 1376988385 /nfs/dbraw/zinc/98/83/85/1376988385.db2.gz QLUKLDDSLAEFDI-NSHDSACASA-N -1 3 329.799 3.350 20 10 EGCDHM CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c([O-])cccc1F ZINC001137837683 1377627271 /nfs/dbraw/zinc/62/72/71/1377627271.db2.gz QWOYILWEFZVLTM-CYBMUJFWSA-N -1 3 338.423 3.363 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2Cc1cccc(F)c1[O-] ZINC001138123798 1377680696 /nfs/dbraw/zinc/68/06/96/1377680696.db2.gz MBYOMJFBCJBBTK-GJZGRUSLSA-N -1 3 336.407 3.115 20 10 EGCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001139689216 1377935470 /nfs/dbraw/zinc/93/54/70/1377935470.db2.gz GADCCUGJJRCLBQ-JKSUJKDBSA-N -1 3 328.378 3.069 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461734 1378066035 /nfs/dbraw/zinc/06/60/35/1378066035.db2.gz SEYLMVJQFFYMEK-UHFFFAOYSA-N -1 3 326.824 3.098 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])cc(F)cc2F)CCC[C@@]1(O)C(F)(F)F ZINC001140582263 1378089530 /nfs/dbraw/zinc/08/95/30/1378089530.db2.gz FVBXIAYKTKMKQZ-XPTSAGLGSA-N -1 3 339.304 3.196 20 10 EGCDHM CN(Cc1cncc(Br)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142513040 1378451246 /nfs/dbraw/zinc/45/12/46/1378451246.db2.gz UQWWPCMHENVIFH-UHFFFAOYSA-N -1 3 343.171 3.460 20 10 EGCDHM Cc1ccc(CN2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142520634 1378452431 /nfs/dbraw/zinc/45/24/31/1378452431.db2.gz MSYPJWFVLOEQMX-UHFFFAOYSA-N -1 3 332.394 3.297 20 10 EGCDHM CC1(C)CN(Cc2cc(Br)c(F)cc2[O-])CCCO1 ZINC001144299619 1378713080 /nfs/dbraw/zinc/71/30/80/1378713080.db2.gz CMQUEEQOOJOHMG-UHFFFAOYSA-N -1 3 332.213 3.295 20 10 EGCDHM Nc1cc(F)c(C(F)(F)F)cc1NC(=O)c1cccc(O)c1[O-] ZINC001148219076 1379134931 /nfs/dbraw/zinc/13/49/31/1379134931.db2.gz RAARXELUWHSSNZ-UHFFFAOYSA-N -1 3 330.237 3.090 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001148218802 1379134952 /nfs/dbraw/zinc/13/49/52/1379134952.db2.gz LPIXZXPNFFVGBJ-HXUWFJFHSA-N -1 3 341.382 3.357 20 10 EGCDHM Cc1noc2ncnc(NCc3cc(Cl)c4cccnc4c3[O-])c12 ZINC001157727942 1381017269 /nfs/dbraw/zinc/01/72/69/1381017269.db2.gz SUHSTLUPRDHDEV-UHFFFAOYSA-N -1 3 341.758 3.446 20 10 EGCDHM COc1nnc(NCc2cc(Cl)c3cccnc3c2[O-])cc1C ZINC001168527806 1383930749 /nfs/dbraw/zinc/93/07/49/1383930749.db2.gz LCFMADCNOLPELE-UHFFFAOYSA-N -1 3 330.775 3.313 20 10 EGCDHM Cc1ccc(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001177253728 1385885776 /nfs/dbraw/zinc/88/57/76/1385885776.db2.gz COIQWEOVIZLHPY-UHFFFAOYSA-N -1 3 341.798 3.156 20 10 EGCDHM CC(C)c1nnc([C@@H](C)NCc2c([O-])cccc2Br)[nH]1 ZINC001331272200 1389678936 /nfs/dbraw/zinc/67/89/36/1389678936.db2.gz PIKBKMTYVWIQJI-SECBINFHSA-N -1 3 339.237 3.247 20 10 EGCDHM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001589443974 954740827 /nfs/dbraw/zinc/74/08/27/954740827.db2.gz OSPQRPJOBHRJRE-KRWDZBQOSA-N -1 3 329.396 3.266 20 10 EGCDHM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001589443974 954740840 /nfs/dbraw/zinc/74/08/40/954740840.db2.gz OSPQRPJOBHRJRE-KRWDZBQOSA-N -1 3 329.396 3.266 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1[O-] ZINC000840997211 969222282 /nfs/dbraw/zinc/22/22/82/969222282.db2.gz NNOTWWDMSQQVRG-LLVKDONJSA-N -1 3 342.233 3.150 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1[O-] ZINC000840997211 969222291 /nfs/dbraw/zinc/22/22/91/969222291.db2.gz NNOTWWDMSQQVRG-LLVKDONJSA-N -1 3 342.233 3.150 20 10 EGCDHM CN(C)c1ccc(/C=C/CNCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001598314139 991292828 /nfs/dbraw/zinc/29/28/28/991292828.db2.gz CSZQKEXMPKUHKD-ONEGZZNKSA-N -1 3 328.387 3.393 20 10 EGCDHM C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220061 994305888 /nfs/dbraw/zinc/30/58/88/994305888.db2.gz QAXOGQWGMRDDHT-IXDGSTSKSA-N -1 3 340.423 3.186 20 10 EGCDHM COc1cc(Cl)cc(CNCc2ccc(C(=O)[O-])cc2F)c1O ZINC001599421025 997594918 /nfs/dbraw/zinc/59/49/18/997594918.db2.gz XIDZBHBMYFVYRY-UHFFFAOYSA-N -1 3 339.750 3.181 20 10 EGCDHM COc1ccc(C)cc1CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599533160 997695642 /nfs/dbraw/zinc/69/56/42/997695642.db2.gz HDBNDLIMBPXUAR-CYBMUJFWSA-N -1 3 329.396 3.301 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@](CO)(C(C)C)C2)c1[O-] ZINC000377660105 458508626 /nfs/dbraw/zinc/50/86/26/458508626.db2.gz SYAFWRWMLZIFBL-KRWDZBQOSA-N -1 3 325.836 3.089 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])c1ncc(F)cn1 ZINC000089602674 454167212 /nfs/dbraw/zinc/16/72/12/454167212.db2.gz JZMUMQNIOPGVHM-UHFFFAOYSA-N -1 3 326.169 3.110 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070316 454514133 /nfs/dbraw/zinc/51/41/33/454514133.db2.gz JMWFZIVCGZGOFR-LLVKDONJSA-N -1 3 341.242 3.203 20 10 EGCDHM C[C@@H](CNC(=O)[C@H](C)N(C)Cc1ccccc1[O-])c1ccccc1 ZINC000109769539 454836105 /nfs/dbraw/zinc/83/61/05/454836105.db2.gz QKZYWSIVJULJKG-HOTGVXAUSA-N -1 3 326.440 3.132 20 10 EGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OC)cc1[O-] ZINC000154199692 454874280 /nfs/dbraw/zinc/87/42/80/454874280.db2.gz GRAPRALFHOXZAF-UHFFFAOYSA-N -1 3 328.412 3.129 20 10 EGCDHM [O-]c1cccc(Cl)c1CNCc1ccccc1CN1CCOCC1 ZINC000113314893 454922240 /nfs/dbraw/zinc/92/22/40/454922240.db2.gz GCDHHWGYXMKZPL-UHFFFAOYSA-N -1 3 346.858 3.168 20 10 EGCDHM O=C1CCCN1Cc1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000113325705 454922552 /nfs/dbraw/zinc/92/25/52/454922552.db2.gz CSJLTTCCMCUTNN-UHFFFAOYSA-N -1 3 344.842 3.458 20 10 EGCDHM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccccc1[O-] ZINC000179576877 455060159 /nfs/dbraw/zinc/06/01/59/455060159.db2.gz IYTCDMZUMXHZRC-QGZVFWFLSA-N -1 3 340.423 3.312 20 10 EGCDHM CC(=O)c1cc(F)cc(CN[C@H](c2nc(C3CC3)no2)C(C)C)c1[O-] ZINC000179801202 455080776 /nfs/dbraw/zinc/08/07/76/455080776.db2.gz UTQNODKSTFRCTC-HNNXBMFYSA-N -1 3 347.390 3.481 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H](CCO)c2ccccc2)c1[O-] ZINC000265912111 455404672 /nfs/dbraw/zinc/40/46/72/455404672.db2.gz YDYGHGXFLIZQTK-CQSZACIVSA-N -1 3 336.775 3.167 20 10 EGCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc(C(F)(F)F)cs1 ZINC000185779582 455620854 /nfs/dbraw/zinc/62/08/54/455620854.db2.gz APYDEEALWQPEFG-MRVPVSSYSA-N -1 3 346.330 3.454 20 10 EGCDHM CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000186372858 455754129 /nfs/dbraw/zinc/75/41/29/455754129.db2.gz UHOAZTSGZNZNEO-GFCCVEGCSA-N -1 3 337.416 3.176 20 10 EGCDHM CCN(Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278147610 455770130 /nfs/dbraw/zinc/77/01/30/455770130.db2.gz BWGPPCFDQJXLJT-UHFFFAOYSA-N -1 3 346.383 3.340 20 10 EGCDHM COCCc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278380822 455834436 /nfs/dbraw/zinc/83/44/36/455834436.db2.gz LSDJGQNXRQOLBT-UHFFFAOYSA-N -1 3 332.356 3.110 20 10 EGCDHM COc1cccc(C=C2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000279354506 455863966 /nfs/dbraw/zinc/86/39/66/455863966.db2.gz SEUYIILCNCDUOU-UHFFFAOYSA-N -1 3 339.391 3.426 20 10 EGCDHM C[C@H](NCc1nnc(C2CC2)[nH]1)c1ccc(Br)cc1[O-] ZINC000296269994 455896100 /nfs/dbraw/zinc/89/61/00/455896100.db2.gz DOXXAANGNQZYGE-QMMMGPOBSA-N -1 3 337.221 3.001 20 10 EGCDHM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3cccc(O)c3[O-])nc2c1 ZINC000188481387 456071041 /nfs/dbraw/zinc/07/10/41/456071041.db2.gz PUPQSMZELNUSOI-OAHLLOKOSA-N -1 3 337.379 3.260 20 10 EGCDHM Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(O)c3[O-])[nH]c2c1 ZINC000188481387 456071045 /nfs/dbraw/zinc/07/10/45/456071045.db2.gz PUPQSMZELNUSOI-OAHLLOKOSA-N -1 3 337.379 3.260 20 10 EGCDHM C[C@H](O)c1ncc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000289084196 456114492 /nfs/dbraw/zinc/11/44/92/456114492.db2.gz KTELLVXIWMYISC-ZFWWWQNUSA-N -1 3 348.468 3.083 20 10 EGCDHM [O-]c1ccc(F)cc1CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000289712004 456137457 /nfs/dbraw/zinc/13/74/57/456137457.db2.gz GSQQNUKLIDLRAN-GDBMZVCRSA-N -1 3 347.390 3.493 20 10 EGCDHM COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000273377047 456226431 /nfs/dbraw/zinc/22/64/31/456226431.db2.gz HLXBLZBLKVOYBG-NSHDSACASA-N -1 3 332.356 3.168 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CCOc3ccc(F)cc32)c1 ZINC000273474277 456233776 /nfs/dbraw/zinc/23/37/76/456233776.db2.gz KJYXKMKCQHVSPO-MEDUHNTESA-N -1 3 345.370 3.492 20 10 EGCDHM COc1ccc([C@@H](CCO)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273512979 456236237 /nfs/dbraw/zinc/23/62/37/456236237.db2.gz RZLZEYXFNXAKQD-YVEFUNNKSA-N -1 3 346.383 3.083 20 10 EGCDHM C[C@@H](NCc1cc(F)ccc1N1CCOCC1)c1ccc(F)cc1[O-] ZINC000273548896 456237951 /nfs/dbraw/zinc/23/79/51/456237951.db2.gz FNINOLBRQHNJHW-CYBMUJFWSA-N -1 3 348.393 3.358 20 10 EGCDHM C[C@@H](c1nccs1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000274379247 456257260 /nfs/dbraw/zinc/25/72/60/456257260.db2.gz SBQNSEBZJXXRAD-LBPRGKRZSA-N -1 3 337.876 3.381 20 10 EGCDHM CCCCN(Cc1ccccc1[O-])[C@H](C(N)=O)c1ccc(F)cc1 ZINC000282552252 456549534 /nfs/dbraw/zinc/54/95/34/456549534.db2.gz XHGNZZYOAIJWIW-SFHVURJKSA-N -1 3 330.403 3.360 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(n3cccn3)CC2)c1[O-] ZINC000377995287 458592702 /nfs/dbraw/zinc/59/27/02/458592702.db2.gz LJPSNSHCECOXJZ-UHFFFAOYSA-N -1 3 333.819 3.282 20 10 EGCDHM CCOc1c(Cl)cc(CNC(=O)c2cc([O-])cs2)cc1OC ZINC000731871173 575213658 /nfs/dbraw/zinc/21/36/58/575213658.db2.gz YYFIHGCMIWKVLQ-UHFFFAOYSA-N -1 3 341.816 3.444 20 10 EGCDHM O=C(NCCc1ccc(F)c(Br)c1)c1cc([O-])cs1 ZINC000731870314 575213899 /nfs/dbraw/zinc/21/38/99/575213899.db2.gz MBYOSEFQQGNEBK-UHFFFAOYSA-N -1 3 344.205 3.328 20 10 EGCDHM CN(Cc1ccccc1[O-])Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000732202932 575244004 /nfs/dbraw/zinc/24/40/04/575244004.db2.gz JVXMAKQFMIHJMY-UHFFFAOYSA-N -1 3 329.787 3.326 20 10 EGCDHM COc1ccc(CCNC(=O)c2cc([O-])cs2)cc1OC(F)F ZINC000732283538 575254636 /nfs/dbraw/zinc/25/46/36/575254636.db2.gz MNXPJIGENKRTLW-UHFFFAOYSA-N -1 3 343.351 3.036 20 10 EGCDHM [O-]c1c(Br)cccc1CN[C@H](CO)c1ccc(F)cc1 ZINC000734851255 575560878 /nfs/dbraw/zinc/56/08/78/575560878.db2.gz XEUAYFCFCDPTFA-CQSZACIVSA-N -1 3 340.192 3.117 20 10 EGCDHM CN(C)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000825879679 609199327 /nfs/dbraw/zinc/19/93/27/609199327.db2.gz NVIQDQIURXILFL-UHFFFAOYSA-N -1 3 328.807 3.198 20 10 EGCDHM CN(C)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000825879679 609199328 /nfs/dbraw/zinc/19/93/28/609199328.db2.gz NVIQDQIURXILFL-UHFFFAOYSA-N -1 3 328.807 3.198 20 10 EGCDHM Cc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c([O-])c1O ZINC000177671697 1294685227 /nfs/dbraw/zinc/68/52/27/1294685227.db2.gz MWGYPZGPNCCNQY-UHFFFAOYSA-N -1 3 346.408 3.270 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](Cc3ccccc3)C2)c1[O-] ZINC000181555661 1294977393 /nfs/dbraw/zinc/97/73/93/1294977393.db2.gz HABMHFJGOWRTBW-GOSISDBHSA-N -1 3 343.398 3.177 20 10 EGCDHM O=C(NCCc1ccc(C(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000192869961 1295808797 /nfs/dbraw/zinc/80/87/97/1295808797.db2.gz RIGFTLJUZCABHQ-UHFFFAOYSA-N -1 3 325.286 3.089 20 10 EGCDHM C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc([O-])c1F ZINC000872025425 1296668590 /nfs/dbraw/zinc/66/85/90/1296668590.db2.gz MNYXWRDEPOHFGE-CYBMUJFWSA-N -1 3 348.393 3.358 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2c2ccccc2)c1[O-] ZINC000750827701 1299459758 /nfs/dbraw/zinc/45/97/58/1299459758.db2.gz VYQRTPYFUIHBDD-GOSISDBHSA-N -1 3 329.371 3.307 20 10 EGCDHM CCOc1cc2c(cc1NC(=O)c1ccc(C)c(O)c1[O-])O[C@H](C)C2 ZINC000751535641 1299565046 /nfs/dbraw/zinc/56/50/46/1299565046.db2.gz SFVMNGWENLIRLB-LLVKDONJSA-N -1 3 343.379 3.381 20 10 EGCDHM C[C@@H](NCc1nncn1-c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756402605 1300484062 /nfs/dbraw/zinc/48/40/62/1300484062.db2.gz MDLIFTIOEPKUIM-LLVKDONJSA-N -1 3 330.338 3.102 20 10 EGCDHM CCCCn1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)n1 ZINC000756785548 1300565156 /nfs/dbraw/zinc/56/51/56/1300565156.db2.gz FYCHBUYRCQRQME-CYBMUJFWSA-N -1 3 332.404 3.456 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(NC(C)=O)c2)c1 ZINC000756794289 1300568030 /nfs/dbraw/zinc/56/80/30/1300568030.db2.gz CHKYVIQIRDDYEH-NSHDSACASA-N -1 3 328.368 3.310 20 10 EGCDHM Cc1nc(N2CCOCC2)ccc1N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000757620658 1300695290 /nfs/dbraw/zinc/69/52/90/1300695290.db2.gz IPZKDVHGOLZTSE-NSHDSACASA-N -1 3 349.381 3.384 20 10 EGCDHM C[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1c([O-])cccc1F ZINC000886547639 1303495942 /nfs/dbraw/zinc/49/59/42/1303495942.db2.gz PBIRBFJOPLHAHB-SMDDNHRTSA-N -1 3 332.350 3.127 20 10 EGCDHM Cc1ccc(CN2CC[C@@H](N[C@H](C)c3c([O-])cccc3F)C2=O)cc1 ZINC000886598600 1303516894 /nfs/dbraw/zinc/51/68/94/1303516894.db2.gz GCWIHFIVSUNWGJ-RHSMWYFYSA-N -1 3 342.414 3.291 20 10 EGCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2)cc1Cl ZINC000788476194 1305950996 /nfs/dbraw/zinc/95/09/96/1305950996.db2.gz CWMGHENNIPESAI-UHFFFAOYSA-N -1 3 327.789 3.163 20 10 EGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2n1C(F)F ZINC000790494601 1306337636 /nfs/dbraw/zinc/33/76/36/1306337636.db2.gz BZQIYBRWVOIZAS-SECBINFHSA-N -1 3 347.321 3.334 20 10 EGCDHM C[C@](O)(C1CCN(Cc2cc(F)cc(F)c2[O-])CC1)C(F)(F)F ZINC000894474319 1308910690 /nfs/dbraw/zinc/91/06/90/1308910690.db2.gz RFDCFVSRLXCNNV-AWEZNQCLSA-N -1 3 339.304 3.196 20 10 EGCDHM Cc1ccc(C(=O)Nc2ncc(-c3ccccn3)s2)c([O-])c1O ZINC000804226458 1317208563 /nfs/dbraw/zinc/20/85/63/1317208563.db2.gz MTNGYMBEWFOVCH-UHFFFAOYSA-N -1 3 327.365 3.177 20 10 EGCDHM [O-]c1ccc2oc3c(c2c1CN1CCOCC(F)(F)C1)CCCC3 ZINC000808234153 1317648689 /nfs/dbraw/zinc/64/86/89/1317648689.db2.gz BLUKYFUUULCOKZ-UHFFFAOYSA-N -1 3 337.366 3.485 20 10 EGCDHM COC(=O)c1coc(CNCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000809776209 1317897448 /nfs/dbraw/zinc/89/74/48/1317897448.db2.gz YQCRFUVLHIZTFC-UHFFFAOYSA-N -1 3 330.167 3.368 20 10 EGCDHM O=C(Nc1cccc(N2CCOCC2)c1)c1cc([O-])ccc1Cl ZINC000810181587 1317970659 /nfs/dbraw/zinc/97/06/59/1317970659.db2.gz AMZYZHVYKVELRD-UHFFFAOYSA-N -1 3 332.787 3.135 20 10 EGCDHM CC(C)OCc1nc([C@@H](C)NCc2cc(Cl)ccc2[O-])no1 ZINC000811518982 1318194917 /nfs/dbraw/zinc/19/49/17/1318194917.db2.gz UHJJKJUBJGXGFB-SNVBAGLBSA-N -1 3 325.796 3.204 20 10 EGCDHM CCNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816607988 1319191313 /nfs/dbraw/zinc/19/13/13/1319191313.db2.gz LUKJNIMVKOLFGC-GFCCVEGCSA-N -1 3 344.814 3.285 20 10 EGCDHM CCOC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccccc1O ZINC000822511568 1320091336 /nfs/dbraw/zinc/09/13/36/1320091336.db2.gz JBAFJHWPSBFEFB-UHFFFAOYSA-N -1 3 349.814 3.317 20 10 EGCDHM O=C1CCCN1C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000827633703 1320463714 /nfs/dbraw/zinc/46/37/14/1320463714.db2.gz CCXWZPSMHDCYJL-LLVKDONJSA-N -1 3 343.254 3.143 20 10 EGCDHM CN(C)c1ccc(CN2CCC[C@H](CC(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000840997205 1321196439 /nfs/dbraw/zinc/19/64/39/1321196439.db2.gz NGDOWDAAQORHNS-GFCCVEGCSA-N -1 3 344.377 3.458 20 10 EGCDHM CCOCc1nc([C@H](C)N[C@H](C)c2ccc(Cl)cc2[O-])no1 ZINC000841752527 1321306979 /nfs/dbraw/zinc/30/69/79/1321306979.db2.gz BDEFKEJCOLKKAG-ZJUUUORDSA-N -1 3 325.796 3.377 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2COCc3ccccc32)c1[O-] ZINC000841891231 1321326916 /nfs/dbraw/zinc/32/69/16/1321326916.db2.gz MKPWQCISJQSGSS-AWEZNQCLSA-N -1 3 334.759 3.315 20 10 EGCDHM Cn1nc(CNCc2c([O-])cccc2Br)cc1C1CC1 ZINC000922955807 1322659914 /nfs/dbraw/zinc/65/99/14/1322659914.db2.gz NNWMTKGPUZBGRW-UHFFFAOYSA-N -1 3 336.233 3.055 20 10 EGCDHM O=C(N[C@@H](c1ccccc1)C1(CO)CCCC1)c1cccc(O)c1[O-] ZINC000855117573 1325346912 /nfs/dbraw/zinc/34/69/12/1325346912.db2.gz XOOBOYGXOXEAKD-SFHVURJKSA-N -1 3 341.407 3.122 20 10 EGCDHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1ccc(O)cc1O ZINC001189491410 1367035206 /nfs/dbraw/zinc/03/52/06/1367035206.db2.gz SAWYLOZSXRXQNW-UHFFFAOYSA-N -1 3 347.314 3.059 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(N2CC(F)C2)CC1 ZINC001203580524 1370178060 /nfs/dbraw/zinc/17/80/60/1370178060.db2.gz QCKRLLPCSNIMPQ-UHFFFAOYSA-N -1 3 333.234 3.317 20 10 EGCDHM O=C1CCN(Cc2cc(Br)ccc2[O-])[C@@H]2CCCC[C@H]12 ZINC001203635700 1370195807 /nfs/dbraw/zinc/19/58/07/1370195807.db2.gz DVXVGUNRNHHVQV-UONOGXRCSA-N -1 3 338.245 3.488 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])[C@@H]2C[C@@H]21 ZINC001203651155 1370201409 /nfs/dbraw/zinc/20/14/09/1370201409.db2.gz JKQUQHHMINXHDU-KGLIPLIRSA-N -1 3 338.835 3.239 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCN(c2cc(Cl)ccn2)CC1 ZINC001203664272 1370207535 /nfs/dbraw/zinc/20/75/35/1370207535.db2.gz VCNDMIGGKUSEBH-UHFFFAOYSA-N -1 3 338.238 3.416 20 10 EGCDHM COC(=O)[C@H](Cc1ccccc1)N(C)Cc1cc(Cl)ccc1[O-] ZINC001203664467 1370208531 /nfs/dbraw/zinc/20/85/31/1370208531.db2.gz GCMPWXVLYZCOPQ-INIZCTEOSA-N -1 3 333.815 3.262 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(Cl)c(F)cc2F)no1 ZINC001215325175 1373197887 /nfs/dbraw/zinc/19/78/87/1373197887.db2.gz FMUKBLTYKKNVFP-UHFFFAOYSA-N -1 3 340.669 3.452 20 10 EGCDHM [O-]c1ccc(-c2nc(-c3ccc4nccnc4c3)no2)c(Cl)c1O ZINC001216951290 1373370287 /nfs/dbraw/zinc/37/02/87/1373370287.db2.gz CXMIKBAXYCCQAR-UHFFFAOYSA-N -1 3 340.726 3.411 20 10 EGCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC(COc3ccccc3)CC2)c1 ZINC001231564702 1376265705 /nfs/dbraw/zinc/26/57/05/1376265705.db2.gz WBMBEKRWIVSLLE-UHFFFAOYSA-N -1 3 341.407 3.381 20 10 EGCDHM COC(=O)[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])[C@H]1c1ccccc1 ZINC001233079936 1376567001 /nfs/dbraw/zinc/56/70/01/1376567001.db2.gz NWHFUXODAYGDFE-YOEHRIQHSA-N -1 3 347.361 3.407 20 10 EGCDHM O=C1c2ccccc2CN1[C@@H]1CCCN(Cc2c([O-])cccc2F)C1 ZINC001137841473 1377629057 /nfs/dbraw/zinc/62/90/57/1377629057.db2.gz GBOUHXZCEKHBPU-OAHLLOKOSA-N -1 3 340.398 3.152 20 10 EGCDHM CC(C)(C)OC(=O)N1CCN(Cc2cccc(F)c2[O-])CC1(C)C ZINC001138128392 1377681428 /nfs/dbraw/zinc/68/14/28/1377681428.db2.gz HEUCQRLXTZUCIB-UHFFFAOYSA-N -1 3 338.423 3.363 20 10 EGCDHM O=C(N[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1)c1ccccc1F ZINC001138130575 1377682536 /nfs/dbraw/zinc/68/25/36/1377682536.db2.gz CYRZFRQRIRJLPH-CQSZACIVSA-N -1 3 346.377 3.065 20 10 EGCDHM O=C1CN(Cc2cc(F)ccc2[O-])CCN1c1ccc(Cl)cc1 ZINC001140060101 1377998622 /nfs/dbraw/zinc/99/86/22/1377998622.db2.gz KNVAMGPEDRWUJX-UHFFFAOYSA-N -1 3 334.778 3.034 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCO[C@H](c2ccccn2)C1 ZINC001140100962 1378007458 /nfs/dbraw/zinc/00/74/58/1378007458.db2.gz GFFNIFPTXIFHRX-INIZCTEOSA-N -1 3 349.228 3.123 20 10 EGCDHM Cc1nc2c(s1)CN(Cc1c([O-])cccc1Br)C2 ZINC001140102537 1378007807 /nfs/dbraw/zinc/00/78/07/1378007807.db2.gz RHSVLGOIOMUDLG-UHFFFAOYSA-N -1 3 325.231 3.435 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)CCN1C(=O)OC(C)(C)C ZINC001140338152 1378048257 /nfs/dbraw/zinc/04/82/57/1378048257.db2.gz XNZWIGFOGXMDGN-GFCCVEGCSA-N -1 3 340.851 3.487 20 10 EGCDHM COc1ccc(CN2CCN(Cc3ccc(Cl)cc3[O-])CC2)cc1 ZINC001140466197 1378068567 /nfs/dbraw/zinc/06/85/67/1378068567.db2.gz ATSOPTXIUUOOPW-UHFFFAOYSA-N -1 3 346.858 3.372 20 10 EGCDHM C[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])[C@@H]1CO ZINC001141367457 1378312008 /nfs/dbraw/zinc/31/20/08/1378312008.db2.gz AYGVAJCBHGOXMP-NOZJJQNGSA-N -1 3 348.668 3.401 20 10 EGCDHM CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)c1cccc(O)c1[O-] ZINC001148218820 1379134610 /nfs/dbraw/zinc/13/46/10/1379134610.db2.gz MKYQAVPQAOBRGC-UHFFFAOYSA-N -1 3 340.335 3.008 20 10 EGCDHM O=C(NCc1ccc(Oc2ccccn2)cc1)c1cccc(O)c1[O-] ZINC001148224170 1379135212 /nfs/dbraw/zinc/13/52/12/1379135212.db2.gz FNHSZSGPVLEJJJ-UHFFFAOYSA-N -1 3 336.347 3.215 20 10 EGCDHM COC(=O)c1cnc([C@H](C)NCc2cc(Cl)c(C)cc2[O-])s1 ZINC001328209599 1388689497 /nfs/dbraw/zinc/68/94/97/1388689497.db2.gz NPXIUPXRUKTWHB-VIFPVBQESA-N -1 3 340.832 3.448 20 10 EGCDHM Cc1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])c1C(N)=O ZINC001157724861 1381015994 /nfs/dbraw/zinc/01/59/94/1381015994.db2.gz WUUYLHOFOVZSCY-UHFFFAOYSA-N -1 3 342.786 3.008 20 10 EGCDHM Cc1nc2nc(NCc3cc(Cl)c4cccnc4c3[O-])ncc2[nH]1 ZINC001157726724 1381016088 /nfs/dbraw/zinc/01/60/88/1381016088.db2.gz WDLCDAHVCVWKQP-UHFFFAOYSA-N -1 3 340.774 3.132 20 10 EGCDHM COc1c([O-])c(CN(C)Cc2cc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC001320899356 1386751183 /nfs/dbraw/zinc/75/11/83/1386751183.db2.gz INRDNASYAGAGHD-UHFFFAOYSA-N -1 3 341.367 3.422 20 10 EGCDHM COc1cc(Cl)cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])c1O ZINC000325665478 971235131 /nfs/dbraw/zinc/23/51/31/971235131.db2.gz CNCIRWFLFKDUIP-OAHLLOKOSA-N -1 3 347.798 3.066 20 10 EGCDHM COc1cc(Cl)cc(C[N@H+](C)C2(C(=O)[O-])CCCCC2)c1[O-] ZINC000319921520 970590181 /nfs/dbraw/zinc/59/01/81/970590181.db2.gz MYKPLSYKXQMYHQ-UHFFFAOYSA-N -1 3 327.808 3.274 20 10 EGCDHM COc1cc(Cl)cc(C[N@@H+](C)C2(C(=O)[O-])CCCCC2)c1[O-] ZINC000319921520 970590186 /nfs/dbraw/zinc/59/01/86/970590186.db2.gz MYKPLSYKXQMYHQ-UHFFFAOYSA-N -1 3 327.808 3.274 20 10 EGCDHM C[C@@H]([NH2+]C[C@H](C)Oc1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001592706727 979178506 /nfs/dbraw/zinc/17/85/06/979178506.db2.gz LCDGROCFVSWCJK-NWDGAFQWSA-N -1 3 333.359 3.348 20 10 EGCDHM COc1ccc(N(C)CCN(C)[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001599583889 993587066 /nfs/dbraw/zinc/58/70/66/993587066.db2.gz ICKPEJAAVYZXPN-CYBMUJFWSA-N -1 3 332.400 3.116 20 10 EGCDHM C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245980 994444207 /nfs/dbraw/zinc/44/42/07/994444207.db2.gz FPLPFKJCXGJXHS-RISCZKNCSA-N -1 3 349.814 3.171 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000374910184 457733046 /nfs/dbraw/zinc/73/30/46/457733046.db2.gz KPDNNLGYAPQITM-ZDUSSCGKSA-N -1 3 325.836 3.063 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC[C@@H](C)OC ZINC000183921782 455339101 /nfs/dbraw/zinc/33/91/01/455339101.db2.gz MSCCTOAJFIRQBR-LLVKDONJSA-N -1 3 344.249 3.318 20 10 EGCDHM COc1cc(Cl)cc(CN2CCN(c3ccccc3O)CC2)c1[O-] ZINC000184672255 455424734 /nfs/dbraw/zinc/42/47/34/455424734.db2.gz RIPUJDQVEMPXQV-UHFFFAOYSA-N -1 3 348.830 3.082 20 10 EGCDHM COC[C@H](NCc1cc(Cl)cc(OC)c1[O-])c1ccc(C)o1 ZINC000184709676 455433262 /nfs/dbraw/zinc/43/32/62/455433262.db2.gz IOALORSWTOJESY-ZDUSSCGKSA-N -1 3 325.792 3.433 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1[O-] ZINC000092072066 454515328 /nfs/dbraw/zinc/51/53/28/454515328.db2.gz LMFYWMKIGAKXAQ-SNVBAGLBSA-N -1 3 336.779 3.057 20 10 EGCDHM C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N(C)Cc1ccccc1[O-] ZINC000109769536 454835329 /nfs/dbraw/zinc/83/53/29/454835329.db2.gz QKZYWSIVJULJKG-HZPDHXFCSA-N -1 3 326.440 3.132 20 10 EGCDHM Cc1noc(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)n1 ZINC000191248814 455471443 /nfs/dbraw/zinc/47/14/43/455471443.db2.gz WOMIYDPFPKRWLR-UHFFFAOYSA-N -1 3 325.771 3.256 20 10 EGCDHM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000182321439 455489266 /nfs/dbraw/zinc/48/92/66/455489266.db2.gz WCEVNOPXACGDHY-OAHLLOKOSA-N -1 3 327.380 3.392 20 10 EGCDHM Cc1ccc(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)c([O-])c1O ZINC000179548553 455056635 /nfs/dbraw/zinc/05/66/35/455056635.db2.gz CORCMMRWMVYQON-LBPRGKRZSA-N -1 3 347.798 3.353 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(C2OCCO2)CC1 ZINC000130088962 455142322 /nfs/dbraw/zinc/14/23/22/455142322.db2.gz RVLJVDQFJLETCR-UHFFFAOYSA-N -1 3 332.227 3.284 20 10 EGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1C ZINC000189433784 455196045 /nfs/dbraw/zinc/19/60/45/455196045.db2.gz RHMMMFPBYZEZIF-UHFFFAOYSA-N -1 3 339.388 3.212 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)c([O-])c1O ZINC000182607965 455551374 /nfs/dbraw/zinc/55/13/74/455551374.db2.gz ROSJWGCIVCCEHR-SMDDNHRTSA-N -1 3 333.409 3.070 20 10 EGCDHM Cc1ccc(C(=O)N(Cc2cccc(O)c2)CC2CC2)c([O-])c1O ZINC000182611342 455552415 /nfs/dbraw/zinc/55/24/15/455552415.db2.gz QNIBIEFVNRFOPW-UHFFFAOYSA-N -1 3 327.380 3.164 20 10 EGCDHM CCn1cnnc1CN[C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293950712 455801643 /nfs/dbraw/zinc/80/16/43/455801643.db2.gz ZHMPSQGDVFAGEI-SFHVURJKSA-N -1 3 336.439 3.467 20 10 EGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000285327473 455823337 /nfs/dbraw/zinc/82/33/37/455823337.db2.gz XGSWJQGKNJLUDB-GXTWGEPZSA-N -1 3 326.780 3.097 20 10 EGCDHM CCN(C)C(=O)CN(Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000272038522 455828848 /nfs/dbraw/zinc/82/88/48/455828848.db2.gz OHLBKZZEBKNXGC-INIZCTEOSA-N -1 3 326.440 3.434 20 10 EGCDHM COc1c([O-])c(CN[C@@H](c2nc(C)cs2)C2CC2)ccc1[N+](=O)[O-] ZINC000278541261 455838859 /nfs/dbraw/zinc/83/88/59/455838859.db2.gz XMPPJXCBBKPDME-CYBMUJFWSA-N -1 3 349.412 3.315 20 10 EGCDHM Cc1nn(C)c(Cl)c1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000269640205 455851471 /nfs/dbraw/zinc/85/14/71/455851471.db2.gz NXYOVRAVJCGIJM-HNNXBMFYSA-N -1 3 349.862 3.269 20 10 EGCDHM CCS(=O)(=O)c1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000295566666 455853500 /nfs/dbraw/zinc/85/35/00/455853500.db2.gz ZOSVBSYQXJUWEU-UHFFFAOYSA-N -1 3 339.844 3.129 20 10 EGCDHM COCc1cccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000187060136 455867535 /nfs/dbraw/zinc/86/75/35/455867535.db2.gz ONMYUQOPKTWKFA-UHFFFAOYSA-N -1 3 335.425 3.265 20 10 EGCDHM C[C@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000187713108 455943340 /nfs/dbraw/zinc/94/33/40/455943340.db2.gz VVXDRHBJODCJAB-BLLLJJGKSA-N -1 3 348.393 3.021 20 10 EGCDHM COc1c([O-])c(CN2CCC[C@@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000289970684 456200082 /nfs/dbraw/zinc/20/00/82/456200082.db2.gz ZBHSUZSAHKQBFA-CQSZACIVSA-N -1 3 329.356 3.041 20 10 EGCDHM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cccc(O)c1[O-] ZINC000275398432 456273699 /nfs/dbraw/zinc/27/36/99/456273699.db2.gz DPLUGPSBSVVASG-ZBEGNZNMSA-N -1 3 347.798 3.353 20 10 EGCDHM CC(=O)c1cc(F)cc(CN[C@@]2(CO)CCCc3ccccc32)c1[O-] ZINC000281852094 456341033 /nfs/dbraw/zinc/34/10/33/456341033.db2.gz ZGXRYRZLDZDRPC-HXUWFJFHSA-N -1 3 343.398 3.048 20 10 EGCDHM COCCn1cc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])cn1 ZINC000282452671 456518990 /nfs/dbraw/zinc/51/89/90/456518990.db2.gz FLNVDDQPJYNCOJ-JTQLQIEISA-N -1 3 344.242 3.393 20 10 EGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000276613924 456531113 /nfs/dbraw/zinc/53/11/13/456531113.db2.gz AAMZAHSAIUWZBO-UHFFFAOYSA-N -1 3 333.409 3.080 20 10 EGCDHM COc1c([O-])c(CN2C[C@@H](C)C[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755941 457686935 /nfs/dbraw/zinc/68/69/35/457686935.db2.gz CUAQKAKWORQERM-LRDDRELGSA-N -1 3 343.383 3.287 20 10 EGCDHM Cc1ccc2nc(CNCc3cccc(Br)c3[O-])cn2c1 ZINC000729680834 574878134 /nfs/dbraw/zinc/87/81/34/574878134.db2.gz BLWXECYHOQBAQZ-UHFFFAOYSA-N -1 3 346.228 3.401 20 10 EGCDHM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc([O-])cs2)c(C)c1 ZINC000731868630 575216614 /nfs/dbraw/zinc/21/66/14/575216614.db2.gz MZCWEIAODLJDMK-UHFFFAOYSA-N -1 3 332.425 3.090 20 10 EGCDHM [O-]c1ccccc1CN(Cc1nccn1C(F)F)C[C@H]1CCCO1 ZINC000732202568 575244082 /nfs/dbraw/zinc/24/40/82/575244082.db2.gz WZQWMHUCRWQIOE-CQSZACIVSA-N -1 3 337.370 3.165 20 10 EGCDHM O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cc([O-])cs1 ZINC000732299822 575253557 /nfs/dbraw/zinc/25/35/57/575253557.db2.gz WFFHYHNJWRWJJF-NSHDSACASA-N -1 3 332.208 3.224 20 10 EGCDHM O=C(NCCc1ccc(Br)cc1F)c1cc([O-])cs1 ZINC000732289716 575255943 /nfs/dbraw/zinc/25/59/43/575255943.db2.gz BXPLYJULHFVPDO-UHFFFAOYSA-N -1 3 344.205 3.328 20 10 EGCDHM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1F ZINC000739425813 576410462 /nfs/dbraw/zinc/41/04/62/576410462.db2.gz QFHGAGCEPGSWJS-LFIBNONCSA-N -1 3 338.382 3.483 20 10 EGCDHM CCCCOC(=O)CN(CC)Cc1cc(Br)ccc1[O-] ZINC000743871271 576818037 /nfs/dbraw/zinc/81/80/37/576818037.db2.gz ZMIVVUCFWGIOJN-UHFFFAOYSA-N -1 3 344.249 3.320 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000833908818 1293069086 /nfs/dbraw/zinc/06/90/86/1293069086.db2.gz PFOAXGQKUYMGAJ-ZDUSSCGKSA-N -1 3 342.351 3.026 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCO[C@](C)(c3ccccc3)C2)c1[O-] ZINC000121258079 1293362638 /nfs/dbraw/zinc/36/26/38/1293362638.db2.gz VHHBXGHXMMMZIY-FQEVSTJZSA-N -1 3 343.398 3.482 20 10 EGCDHM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000129065589 1293612242 /nfs/dbraw/zinc/61/22/42/1293612242.db2.gz WCAKMXUVWWCVQV-UHFFFAOYSA-N -1 3 342.214 3.264 20 10 EGCDHM CCc1nnc(-c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)o1 ZINC000179529397 1294801557 /nfs/dbraw/zinc/80/15/57/1294801557.db2.gz LFWCJKFFWURKQQ-UHFFFAOYSA-N -1 3 339.351 3.271 20 10 EGCDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000187062178 1295365744 /nfs/dbraw/zinc/36/57/44/1295365744.db2.gz BKGAXHQNOLKWJI-UHFFFAOYSA-N -1 3 348.424 3.077 20 10 EGCDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2[nH]1 ZINC000188185491 1295443562 /nfs/dbraw/zinc/44/35/62/1295443562.db2.gz WOADZRUJJCFRAC-HNNXBMFYSA-N -1 3 325.368 3.101 20 10 EGCDHM O=C(Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1)c1ccoc1 ZINC000192998090 1295824927 /nfs/dbraw/zinc/82/49/27/1295824927.db2.gz NCFCKHXOTMNYLJ-UHFFFAOYSA-N -1 3 338.319 3.195 20 10 EGCDHM Cc1ccc(-c2nsc(NC(=O)c3cccc(O)c3[O-])n2)s1 ZINC000193010392 1295827290 /nfs/dbraw/zinc/82/72/90/1295827290.db2.gz BDBANFZLQNZYTJ-UHFFFAOYSA-N -1 3 333.394 3.239 20 10 EGCDHM Cc1nnsc1CNCc1cc(Cl)cc(Br)c1[O-] ZINC000708132119 1298235804 /nfs/dbraw/zinc/23/58/04/1298235804.db2.gz BBHVXLAMGPUXQV-UHFFFAOYSA-N -1 3 348.653 3.258 20 10 EGCDHM N=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)c(F)cc2[O-])N1 ZINC000877843159 1299606569 /nfs/dbraw/zinc/60/65/69/1299606569.db2.gz ODTJGYPXQTUUIS-CYBMUJFWSA-N -1 3 331.738 3.031 20 10 EGCDHM Cc1cccc2c1N[C@H](c1ccc(Br)cc1[O-])NC2=O ZINC000877845131 1299607372 /nfs/dbraw/zinc/60/73/72/1299607372.db2.gz CYWGMNZQRKPDDA-AWEZNQCLSA-N -1 3 333.185 3.317 20 10 EGCDHM C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756479281 1300502059 /nfs/dbraw/zinc/50/20/59/1300502059.db2.gz LIOCAYBACLWJRJ-SNVBAGLBSA-N -1 3 349.774 3.243 20 10 EGCDHM C[C@@H](NCc1ccnc(N(C)C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756789682 1300566522 /nfs/dbraw/zinc/56/65/22/1300566522.db2.gz HZBFJXYUCKCSAZ-SECBINFHSA-N -1 3 341.242 3.406 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc3c(c2)N(C)CCO3)c1 ZINC000757608774 1300693075 /nfs/dbraw/zinc/69/30/75/1300693075.db2.gz GRZOJNOJEAJZMT-LBPRGKRZSA-N -1 3 342.395 3.181 20 10 EGCDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(N(CC)CC)cc2)n1 ZINC000758686041 1300935483 /nfs/dbraw/zinc/93/54/83/1300935483.db2.gz GVMKUPMCQSMYNW-UHFFFAOYSA-N -1 3 328.460 3.223 20 10 EGCDHM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000760144605 1301226732 /nfs/dbraw/zinc/22/67/32/1301226732.db2.gz XJPZGVPJZXSBQJ-LBPRGKRZSA-N -1 3 343.379 3.010 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC(Nc3ccccn3)CC2)c1[O-] ZINC000761118740 1301405851 /nfs/dbraw/zinc/40/58/51/1301405851.db2.gz NLZWJGNDKPMKBY-UHFFFAOYSA-N -1 3 343.402 3.205 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](CO)c2ccccc2C)c1[O-] ZINC000886433291 1303466262 /nfs/dbraw/zinc/46/62/62/1303466262.db2.gz FWFUWUSDBUTOTM-SFHVURJKSA-N -1 3 331.387 3.208 20 10 EGCDHM C[C@@H](NCc1ccnc(N(C)C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774272183 1303792403 /nfs/dbraw/zinc/79/24/03/1303792403.db2.gz NWWPUXCHTRVERB-SECBINFHSA-N -1 3 341.242 3.406 20 10 EGCDHM COc1c([O-])c(CNc2cnc3c(c2)CCCC3)ccc1[N+](=O)[O-] ZINC000775052469 1303895953 /nfs/dbraw/zinc/89/59/53/1303895953.db2.gz FIMHZBRMMMRETF-UHFFFAOYSA-N -1 3 329.356 3.195 20 10 EGCDHM CC(C)COC(=O)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000775669216 1304010739 /nfs/dbraw/zinc/01/07/39/1304010739.db2.gz VJQNYMUVQKDMPJ-UHFFFAOYSA-N -1 3 340.851 3.346 20 10 EGCDHM Cc1ccnc(-c2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2)n1 ZINC000780943507 1304754735 /nfs/dbraw/zinc/75/47/35/1304754735.db2.gz GBGZXIZLCMJREY-UHFFFAOYSA-N -1 3 335.363 3.424 20 10 EGCDHM C[C@H](NCc1ncnn1-c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000786943529 1305662763 /nfs/dbraw/zinc/66/27/63/1305662763.db2.gz ZQPFMGYHPMYDMZ-LBPRGKRZSA-N -1 3 328.803 3.477 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893985265 1306163514 /nfs/dbraw/zinc/16/35/14/1306163514.db2.gz ZWFLTPKAUQMOKV-LLVKDONJSA-N -1 3 342.386 3.017 20 10 EGCDHM CC(C)COc1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790662719 1306371730 /nfs/dbraw/zinc/37/17/30/1306371730.db2.gz CHLJVLMZZCMIDC-UHFFFAOYSA-N -1 3 329.396 3.105 20 10 EGCDHM COc1ccccc1[C@H](CO)NCc1c([O-])ccc(Cl)c1F ZINC000790966329 1308899065 /nfs/dbraw/zinc/89/90/65/1308899065.db2.gz LQSQJTQSOJNSGP-ZDUSSCGKSA-N -1 3 325.767 3.017 20 10 EGCDHM O=C(NCc1ccc(-c2ccco2)cc1F)c1cccc(O)c1[O-] ZINC000791063206 1308918773 /nfs/dbraw/zinc/91/87/73/1308918773.db2.gz VTPZMIOZDLMFPM-UHFFFAOYSA-N -1 3 327.311 3.427 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H](C3CCC3)C2)c1[O-] ZINC000795290248 1309716936 /nfs/dbraw/zinc/71/69/36/1309716936.db2.gz RJNZQHDCQRBMLR-HNNXBMFYSA-N -1 3 337.847 3.497 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1c2ccccc2OC[C@H]1CO ZINC000897947373 1310527009 /nfs/dbraw/zinc/52/70/09/1310527009.db2.gz JJPSSYZLQYAFOB-BMLIUANNSA-N -1 3 337.778 3.017 20 10 EGCDHM COc1c([O-])c(CN2CCc3cc(F)cc(C)c3C2)ccc1[N+](=O)[O-] ZINC000800535392 1310779210 /nfs/dbraw/zinc/77/92/10/1310779210.db2.gz BCPNCIOTKIGPQH-UHFFFAOYSA-N -1 3 346.358 3.315 20 10 EGCDHM COc1cc(F)c(F)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000811513328 1318189729 /nfs/dbraw/zinc/18/97/29/1318189729.db2.gz YDZTZIYVTKIADD-UHFFFAOYSA-N -1 3 340.282 3.208 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000816560582 1319182791 /nfs/dbraw/zinc/18/27/91/1319182791.db2.gz SZMCNWGAVIAOBX-KRWDZBQOSA-N -1 3 339.769 3.417 20 10 EGCDHM CN(Cc1ncnn1CC(F)F)Cc1ccc2ccccc2c1[O-] ZINC000816593887 1319190244 /nfs/dbraw/zinc/19/02/44/1319190244.db2.gz HRWMVJXVQRNGCL-UHFFFAOYSA-N -1 3 332.354 3.034 20 10 EGCDHM CCn1nc(C)c(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000818344280 1319531952 /nfs/dbraw/zinc/53/19/52/1319531952.db2.gz BHMQLRDUJTUHRG-VIFPVBQESA-N -1 3 328.338 3.182 20 10 EGCDHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000858786248 1328860215 /nfs/dbraw/zinc/86/02/15/1328860215.db2.gz OHXDMEWIFIZYPN-HNNXBMFYSA-N -1 3 340.423 3.028 20 10 EGCDHM CCN(CC)c1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)cc1F ZINC000823213172 1320161595 /nfs/dbraw/zinc/16/15/95/1320161595.db2.gz DWGSCVOERNFOOM-UHFFFAOYSA-N -1 3 348.393 3.376 20 10 EGCDHM CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000839916396 1320995268 /nfs/dbraw/zinc/99/52/68/1320995268.db2.gz WGPYRAGVZNOVIZ-CYBMUJFWSA-N -1 3 349.427 3.072 20 10 EGCDHM O=S1(=O)CCN(Cc2ccc3ccccc3c2[O-])CCC12CCC2 ZINC000840970883 1321190427 /nfs/dbraw/zinc/19/04/27/1321190427.db2.gz ZDUJGCIIQVGWDT-UHFFFAOYSA-N -1 3 345.464 3.089 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1C1CCC1 ZINC000843428500 1321517992 /nfs/dbraw/zinc/51/79/92/1321517992.db2.gz JTUYUKVXHJXBOP-CQSZACIVSA-N -1 3 326.234 3.156 20 10 EGCDHM CCN(Cc1cc(OC)no1)Cc1cc(Br)ccc1[O-] ZINC000851793317 1323090085 /nfs/dbraw/zinc/09/00/85/1323090085.db2.gz UQZCNUYYLWPVFB-UHFFFAOYSA-N -1 3 341.205 3.173 20 10 EGCDHM CCc1nocc1CN(C)Cc1c([O-])cccc1Br ZINC000862378512 1329480255 /nfs/dbraw/zinc/48/02/55/1329480255.db2.gz VMJRGTMJGPFBOC-UHFFFAOYSA-N -1 3 325.206 3.337 20 10 EGCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCCC[C@H]2C)c1 ZINC001233305519 1376607877 /nfs/dbraw/zinc/60/78/77/1376607877.db2.gz JRWSPCCBYHZLNM-SNVBAGLBSA-N -1 3 342.233 3.316 20 10 EGCDHM COc1cc(O)ccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197685809 1368873676 /nfs/dbraw/zinc/87/36/76/1368873676.db2.gz WIKWQXPGQMLNGL-UHFFFAOYSA-N -1 3 345.779 3.135 20 10 EGCDHM COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203582063 1370178762 /nfs/dbraw/zinc/17/87/62/1370178762.db2.gz OZPWGXMVRHBRHY-KWBADKCTSA-N -1 3 344.238 3.473 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CC2(C1)C[C@@H](F)CS2 ZINC001203645986 1370199517 /nfs/dbraw/zinc/19/95/17/1370199517.db2.gz XQSCTTWJZLJJIG-LLVKDONJSA-N -1 3 332.238 3.184 20 10 EGCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)c([O-])c1 ZINC001231455886 1376245714 /nfs/dbraw/zinc/24/57/14/1376245714.db2.gz WDWREJKPSUWRFA-SFHVURJKSA-N -1 3 341.407 3.272 20 10 EGCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)c([O-])c1 ZINC001231455886 1376245716 /nfs/dbraw/zinc/24/57/16/1376245716.db2.gz WDWREJKPSUWRFA-SFHVURJKSA-N -1 3 341.407 3.272 20 10 EGCDHM O=C([O-])c1ccc(O)c(CN2CCSC[C@@H]2c2ccccc2)c1 ZINC001231565353 1376267593 /nfs/dbraw/zinc/26/75/93/1376267593.db2.gz UDVSIQZXEUCIFQ-MRXNPFEDSA-N -1 3 329.421 3.381 20 10 EGCDHM COc1cc([O-])c(CN2CCc3cnc(C4CC4)nc3C2)cc1Cl ZINC001232270630 1376427571 /nfs/dbraw/zinc/42/75/71/1376427571.db2.gz IOOOMSPNHXRZFW-UHFFFAOYSA-N -1 3 345.830 3.280 20 10 EGCDHM Cc1cccnc1O[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233080505 1376566610 /nfs/dbraw/zinc/56/66/10/1376566610.db2.gz VRSKWIPTEOISAR-CQSZACIVSA-N -1 3 334.366 3.417 20 10 EGCDHM COC(=O)c1cc(Br)c([O-])c(CN2CCC(C)CC2)c1 ZINC001233305446 1376607132 /nfs/dbraw/zinc/60/71/32/1376607132.db2.gz GRHJILXQKQREDE-UHFFFAOYSA-N -1 3 342.233 3.173 20 10 EGCDHM [O-]c1ccc(F)c(F)c1CN1CCC(O)(c2ccc(F)cc2)CC1 ZINC001233334635 1376617840 /nfs/dbraw/zinc/61/78/40/1376617840.db2.gz OARXFCQYTPJFQB-UHFFFAOYSA-N -1 3 337.341 3.293 20 10 EGCDHM C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1Cc1c([O-])cccc1F ZINC001137841904 1377628073 /nfs/dbraw/zinc/62/80/73/1377628073.db2.gz ZGAFOZORVBUIOD-IUODEOHRSA-N -1 3 338.423 3.409 20 10 EGCDHM O=C(N[C@@H]1CCCN(Cc2c([O-])cccc2F)C1)c1ccc(F)cc1 ZINC001137841747 1377628962 /nfs/dbraw/zinc/62/89/62/1377628962.db2.gz SNODSESMFWUFAG-OAHLLOKOSA-N -1 3 346.377 3.065 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC001138124027 1377680676 /nfs/dbraw/zinc/68/06/76/1377680676.db2.gz VUKJWKFDZFPLSF-OKILXGFUSA-N -1 3 336.407 3.115 20 10 EGCDHM C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1Cc1cccc(F)c1[O-] ZINC001138131342 1377683370 /nfs/dbraw/zinc/68/33/70/1377683370.db2.gz XFUMCNMKNUSQDT-SWLSCSKDSA-N -1 3 338.423 3.409 20 10 EGCDHM O=C(Nc1ccccc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140341187 1378049649 /nfs/dbraw/zinc/04/96/49/1378049649.db2.gz BBUVEBLOSAJLAN-UHFFFAOYSA-N -1 3 345.830 3.395 20 10 EGCDHM O=C1Nc2ccccc2CN1C1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140464307 1378067459 /nfs/dbraw/zinc/06/74/59/1378067459.db2.gz KJAPHZVUGFUKNT-UHFFFAOYSA-N -1 3 343.814 3.278 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CC(c2cccnc2)C1 ZINC001144306768 1378714223 /nfs/dbraw/zinc/71/42/23/1378714223.db2.gz PIIDNEWLUUYCAW-UHFFFAOYSA-N -1 3 337.192 3.288 20 10 EGCDHM CC(C)O[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306739 1378714322 /nfs/dbraw/zinc/71/43/22/1378714322.db2.gz OEQJAMVYPSNUEP-LLVKDONJSA-N -1 3 332.213 3.293 20 10 EGCDHM Cc1c(Br)ccc(N)c1NC(=O)c1cccc(O)c1[O-] ZINC001148218955 1379135021 /nfs/dbraw/zinc/13/50/21/1379135021.db2.gz OXZCHSWHOCVEKO-UHFFFAOYSA-N -1 3 337.173 3.003 20 10 EGCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001148584573 1379217499 /nfs/dbraw/zinc/21/74/99/1379217499.db2.gz UMIBXVYFWZPEOM-OAHLLOKOSA-N -1 3 338.363 3.262 20 10 EGCDHM C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1ccccc1C(F)(F)F ZINC001148589721 1379218267 /nfs/dbraw/zinc/21/82/67/1379218267.db2.gz INWVCNJCKRGWCH-QMMMGPOBSA-N -1 3 341.285 3.313 20 10 EGCDHM [O-]c1c(CNc2cc3nccc-3[n-][nH+]2)cc(Cl)c2cccnc12 ZINC001168522466 1383929637 /nfs/dbraw/zinc/92/96/37/1383929637.db2.gz SAQZOJRKFVQCCF-UHFFFAOYSA-N -1 3 325.759 3.477 20 10 EGCDHM COc1cc(C(=O)[N-]c2c3nonc3ccc2Cl)ccc1[N+](=O)[O-] ZINC001329519955 1389140719 /nfs/dbraw/zinc/14/07/19/1389140719.db2.gz SCXXBLLWCRBIJA-UHFFFAOYSA-N -1 3 348.702 3.045 20 10 EGCDHM CC(C)c1nnc([C@H](C)NCc2c([O-])cccc2Br)[nH]1 ZINC001331272201 1389679134 /nfs/dbraw/zinc/67/91/34/1389679134.db2.gz PIKBKMTYVWIQJI-VIFPVBQESA-N -1 3 339.237 3.247 20 10 EGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001331552239 1389796979 /nfs/dbraw/zinc/79/69/79/1389796979.db2.gz FGMCHPCWTVBZDC-INIZCTEOSA-N -1 3 341.398 3.221 20 10 EGCDHM COc1ccccc1C1(NCc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC001339156330 1389923006 /nfs/dbraw/zinc/92/30/06/1389923006.db2.gz WAVHYMVQNLHKNK-UHFFFAOYSA-N -1 3 328.368 3.478 20 10 EGCDHM CCC[N@H+](Cc1ccccc1[O-])Cc1cc(-c2nnn[n-]2)ccc1F ZINC000736480336 1446358932 /nfs/dbraw/zinc/35/89/32/1446358932.db2.gz NGJCGJXVRGWYGK-UHFFFAOYSA-N -1 3 341.390 3.124 20 10 EGCDHM CCC[N@@H+](Cc1ccccc1[O-])Cc1cc(-c2nnn[n-]2)ccc1F ZINC000736480336 1446358937 /nfs/dbraw/zinc/35/89/37/1446358937.db2.gz NGJCGJXVRGWYGK-UHFFFAOYSA-N -1 3 341.390 3.124 20 10 EGCDHM C[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000843041330 969234621 /nfs/dbraw/zinc/23/46/21/969234621.db2.gz QNIXDTGJDSPRME-BXUZGUMPSA-N -1 3 344.377 3.314 20 10 EGCDHM C[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246577 994454071 /nfs/dbraw/zinc/45/40/71/994454071.db2.gz AOCNZDUTILDLFW-UGSOOPFHSA-N -1 3 341.407 3.255 20 10 EGCDHM COc1cccc(C[C@@H](C)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001599667201 994748876 /nfs/dbraw/zinc/74/88/76/994748876.db2.gz XWICWQHYVSWRJW-CHWSQXEVSA-N -1 3 329.396 3.381 20 10 EGCDHM COc1cc(Cl)cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1[O-] ZINC000291490850 456658862 /nfs/dbraw/zinc/65/88/62/456658862.db2.gz GNKHABRCHWYHEH-CZUORRHYSA-N -1 3 325.836 3.444 20 10 EGCDHM CC(C)c1nnc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)o1 ZINC000109761643 454835477 /nfs/dbraw/zinc/83/54/77/454835477.db2.gz RCBCBUNHNVSICB-HNNXBMFYSA-N -1 3 331.416 3.080 20 10 EGCDHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccccc2[O-])c1C ZINC000109772962 454836748 /nfs/dbraw/zinc/83/67/48/454836748.db2.gz GTVFXYFOMLKVRC-CYBMUJFWSA-N -1 3 328.412 3.243 20 10 EGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179457685 455049297 /nfs/dbraw/zinc/04/92/97/455049297.db2.gz ABWQQJVVXCTPKY-UHFFFAOYSA-N -1 3 328.412 3.135 20 10 EGCDHM Cc1ccc(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)c([O-])c1O ZINC000179491731 455051866 /nfs/dbraw/zinc/05/18/66/455051866.db2.gz NAEBZGKJILUJSK-TYILLQQXSA-N -1 3 341.407 3.397 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ncoc1C ZINC000175846128 455504831 /nfs/dbraw/zinc/50/48/31/455504831.db2.gz FYLDUUKHMKXJBT-UHFFFAOYSA-N -1 3 339.189 3.113 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)c([O-])c1O ZINC000182508533 455528917 /nfs/dbraw/zinc/52/89/17/455528917.db2.gz IFTBCSUJFKQRCY-GFCCVEGCSA-N -1 3 326.396 3.139 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](CCO)c2ccccc2)c1[O-] ZINC000271609862 455699651 /nfs/dbraw/zinc/69/96/51/455699651.db2.gz BIEJBEHQZJIUBE-KRWDZBQOSA-N -1 3 333.815 3.462 20 10 EGCDHM C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1cc(F)ccc1[O-] ZINC000186264076 455728041 /nfs/dbraw/zinc/72/80/41/455728041.db2.gz XAIUTAFTXMWXHP-GFCCVEGCSA-N -1 3 332.375 3.171 20 10 EGCDHM CN(Cc1ccc(N2CCOCC2)cc1)Cc1c(F)ccc([O-])c1F ZINC000294793473 455827868 /nfs/dbraw/zinc/82/78/68/455827868.db2.gz CRYINPMQPSZTHV-UHFFFAOYSA-N -1 3 348.393 3.139 20 10 EGCDHM COc1c([O-])c(CN[C@H]2CCOc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC000278440451 455835929 /nfs/dbraw/zinc/83/59/29/455835929.db2.gz VTBHBLPIBBSPON-ZDUSSCGKSA-N -1 3 348.330 3.062 20 10 EGCDHM COc1c([O-])c(CNCc2nc(C(C)C)cs2)ccc1[N+](=O)[O-] ZINC000278480117 455837483 /nfs/dbraw/zinc/83/74/83/455837483.db2.gz JDOIRHJHBRLIQZ-UHFFFAOYSA-N -1 3 337.401 3.179 20 10 EGCDHM O=C(/C=C\c1cnc2ccccc2n1)N1CCCc2cccc([O-])c21 ZINC000255518860 455869479 /nfs/dbraw/zinc/86/94/79/455869479.db2.gz ADSFCWMMUQCJDQ-KHPPLWFESA-N -1 3 331.375 3.328 20 10 EGCDHM C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187762792 455949616 /nfs/dbraw/zinc/94/96/16/455949616.db2.gz ICJDTHDKYZKVEE-NHYWBVRUSA-N -1 3 332.350 3.127 20 10 EGCDHM COc1ccc([C@@H](CCO)N[C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000187763838 455950145 /nfs/dbraw/zinc/95/01/45/455950145.db2.gz AFGIQCQPQXVEDA-BDJLRTHQSA-N -1 3 337.366 3.453 20 10 EGCDHM Cc1ccnc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000301296866 456084964 /nfs/dbraw/zinc/08/49/64/456084964.db2.gz YCDGPPFNKATSJW-HNNXBMFYSA-N -1 3 332.835 3.221 20 10 EGCDHM CCCN(Cc1cnc(C2OCCO2)s1)Cc1ccccc1[O-] ZINC000289398312 456124132 /nfs/dbraw/zinc/12/41/32/456124132.db2.gz RTZIJRYRITZHLH-UHFFFAOYSA-N -1 3 334.441 3.306 20 10 EGCDHM CCOc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1CO ZINC000273386480 456227704 /nfs/dbraw/zinc/22/77/04/456227704.db2.gz CYOPMWJGEKGCCP-GFCCVEGCSA-N -1 3 345.395 3.243 20 10 EGCDHM CCc1noc(CC)c1CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273591905 456239385 /nfs/dbraw/zinc/23/93/85/456239385.db2.gz PLHPILFRDMLXES-NSHDSACASA-N -1 3 332.400 3.142 20 10 EGCDHM CC[C@H](N[C@@H]1CCc2cccc([O-])c21)c1nnc2n1CCCCC2 ZINC000297928764 456326744 /nfs/dbraw/zinc/32/67/44/456326744.db2.gz XLNBIISSYKPCDT-LSDHHAIUSA-N -1 3 326.444 3.438 20 10 EGCDHM COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1[O-] ZINC000276030722 456374752 /nfs/dbraw/zinc/37/47/52/456374752.db2.gz LSTSEEKRSNAQQF-UHFFFAOYSA-N -1 3 340.423 3.272 20 10 EGCDHM C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc(F)ccc1[O-] ZINC000290601037 456380372 /nfs/dbraw/zinc/38/03/72/456380372.db2.gz VXELISHJHWBUIP-LBPRGKRZSA-N -1 3 330.407 3.357 20 10 EGCDHM [O-]c1ccccc1CN1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000378530050 457407094 /nfs/dbraw/zinc/40/70/94/457407094.db2.gz CWDQYPONMUCIKX-INIZCTEOSA-N -1 3 337.379 3.016 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](NCc2cscn2)C1 ZINC000361536365 457777812 /nfs/dbraw/zinc/77/78/12/457777812.db2.gz STQYALLDBTYIID-AWEZNQCLSA-N -1 3 337.876 3.256 20 10 EGCDHM COc1c([O-])c(CN[C@@H]2CCOc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC000372978461 458363543 /nfs/dbraw/zinc/36/35/43/458363543.db2.gz VTBHBLPIBBSPON-CYBMUJFWSA-N -1 3 348.330 3.062 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H]2Nc3cc(Cl)ccc3C(=O)N2C)c1 ZINC000726796831 574572040 /nfs/dbraw/zinc/57/20/40/574572040.db2.gz IWPNHNAKRBOCPK-OAHLLOKOSA-N -1 3 346.770 3.029 20 10 EGCDHM O=C(Nc1cccc(NC(=O)c2ccncc2)c1)c1cc([O-])cs1 ZINC000731868587 575216712 /nfs/dbraw/zinc/21/67/12/575216712.db2.gz KMWZIZUYCDWBPU-UHFFFAOYSA-N -1 3 339.376 3.353 20 10 EGCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1cccc(N2CCCC2=O)c1 ZINC000732277478 575253224 /nfs/dbraw/zinc/25/32/24/575253224.db2.gz NLNBIVYGXPLMSH-NSHDSACASA-N -1 3 330.409 3.072 20 10 EGCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)NC1CCCCC1 ZINC000732353482 575261330 /nfs/dbraw/zinc/26/13/30/575261330.db2.gz QZCREHAIMDVZRO-AWEZNQCLSA-N -1 3 325.430 3.084 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](NCc2nccs2)C1 ZINC000733334550 575328553 /nfs/dbraw/zinc/32/85/53/575328553.db2.gz LVHINMFYANXTTJ-CQSZACIVSA-N -1 3 337.876 3.256 20 10 EGCDHM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(OCC)cc1[O-] ZINC000742442982 576784847 /nfs/dbraw/zinc/78/48/47/576784847.db2.gz RYZAZQKGDYADLP-KRWDZBQOSA-N -1 3 332.444 3.334 20 10 EGCDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2O)c1Cl ZINC000751148990 1299516619 /nfs/dbraw/zinc/51/66/19/1299516619.db2.gz GYFUNMSSKWSEQC-UHFFFAOYSA-N -1 3 346.235 3.486 20 10 EGCDHM COc1ccc2c(c1)CN(Cc1cc(F)cc(C(C)=O)c1[O-])CCO2 ZINC000831769755 1292916146 /nfs/dbraw/zinc/91/61/46/1292916146.db2.gz UOBNLYXXUHAQGS-UHFFFAOYSA-N -1 3 345.370 3.137 20 10 EGCDHM Cc1nc(CN2CCN(Cc3cc(Cl)ccc3[O-])CC2)cs1 ZINC000123944659 1293461019 /nfs/dbraw/zinc/46/10/19/1293461019.db2.gz AOCKVNXOERNBRB-UHFFFAOYSA-N -1 3 337.876 3.128 20 10 EGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1 ZINC000126176136 1293526898 /nfs/dbraw/zinc/52/68/98/1293526898.db2.gz WJPLUWRQZNOHRX-SECBINFHSA-N -1 3 336.185 3.351 20 10 EGCDHM CCN(CC)c1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000172555772 1294439605 /nfs/dbraw/zinc/43/96/05/1294439605.db2.gz XYXJRVSEAIGAOX-UHFFFAOYSA-N -1 3 345.418 3.377 20 10 EGCDHM O=C(c1cccc(F)c1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000179997676 1294850657 /nfs/dbraw/zinc/85/06/57/1294850657.db2.gz MBTJJERWLOBDSF-UHFFFAOYSA-N -1 3 348.805 3.143 20 10 EGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000189433336 1295522494 /nfs/dbraw/zinc/52/24/94/1295522494.db2.gz ZQADYTMSYLNSMB-UHFFFAOYSA-N -1 3 348.424 3.022 20 10 EGCDHM Cc1nnc([C@@H](C)NCc2c([O-])cccc2Br)s1 ZINC000706835018 1298222556 /nfs/dbraw/zinc/22/25/56/1298222556.db2.gz DIVOMAJCZJAWIB-SSDOTTSWSA-N -1 3 328.235 3.165 20 10 EGCDHM Cc1csc(CNCc2cc(Br)cc(F)c2[O-])n1 ZINC000715757395 1298285717 /nfs/dbraw/zinc/28/57/17/1298285717.db2.gz GLAREHCVXQRFNP-UHFFFAOYSA-N -1 3 331.210 3.349 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3cccs3)CC2)c1[O-] ZINC000748046534 1298917558 /nfs/dbraw/zinc/91/75/58/1298917558.db2.gz IMLKJXHFSXKHJI-UHFFFAOYSA-N -1 3 348.443 3.113 20 10 EGCDHM CC(C)Oc1ncccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756418364 1300487343 /nfs/dbraw/zinc/48/73/43/1300487343.db2.gz AUJUZKACHIFMQN-LBPRGKRZSA-N -1 3 331.372 3.333 20 10 EGCDHM Cc1nnc(CN[C@H](C)c2ccc(Br)cc2[O-])s1 ZINC000757636633 1300699372 /nfs/dbraw/zinc/69/93/72/1300699372.db2.gz DMIZAXGQYDQIGM-SSDOTTSWSA-N -1 3 328.235 3.165 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2COc3cc(F)cc(F)c32)c1 ZINC000757656568 1300704189 /nfs/dbraw/zinc/70/41/89/1300704189.db2.gz KADXNIBNSCUJEB-OTYXRUKQSA-N -1 3 349.333 3.241 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](CO)Oc3ccccc32)c1[O-] ZINC000759738383 1301152261 /nfs/dbraw/zinc/15/22/61/1301152261.db2.gz BLJAFUXLLLKHLV-AWEZNQCLSA-N -1 3 347.798 3.008 20 10 EGCDHM CCCNC(=O)c1cccc(CNCc2cc(F)cc(F)c2[O-])c1 ZINC000882896905 1302152296 /nfs/dbraw/zinc/15/22/96/1302152296.db2.gz UTAVLXKRSWLQFJ-UHFFFAOYSA-N -1 3 334.366 3.100 20 10 EGCDHM CN(Cc1cc(Cl)ccc1[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000768161245 1302840938 /nfs/dbraw/zinc/84/09/38/1302840938.db2.gz VCGHPFKVZQYJBD-UHFFFAOYSA-N -1 3 329.787 3.326 20 10 EGCDHM C[C@@H](NCc1cc(F)ccc1N1CCOCC1)c1c([O-])cccc1F ZINC000886530431 1303489499 /nfs/dbraw/zinc/48/94/99/1303489499.db2.gz KIXCXHHSNHVBPC-CYBMUJFWSA-N -1 3 348.393 3.358 20 10 EGCDHM COc1c([O-])c(CNc2ccccc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000774926828 1303878968 /nfs/dbraw/zinc/87/89/68/1303878968.db2.gz DVRPXBIVAVOGLS-UHFFFAOYSA-N -1 3 340.339 3.107 20 10 EGCDHM COc1c(F)cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1F ZINC000774926387 1303879159 /nfs/dbraw/zinc/87/91/59/1303879159.db2.gz HTCNFDFTBKUKLW-UHFFFAOYSA-N -1 3 340.282 3.208 20 10 EGCDHM COc1c([O-])c(CNc2ccc(F)c(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000774935565 1303880018 /nfs/dbraw/zinc/88/00/18/1303880018.db2.gz PGDALMQOJCECFB-UHFFFAOYSA-N -1 3 349.318 3.019 20 10 EGCDHM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000888896560 1304317353 /nfs/dbraw/zinc/31/73/53/1304317353.db2.gz PCOLTEXJKROYOZ-VFVRVIDISA-N -1 3 327.380 3.089 20 10 EGCDHM COC(=O)c1cc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc2o1 ZINC000780892739 1304748705 /nfs/dbraw/zinc/74/87/05/1304748705.db2.gz IMHOHIVTFQULOS-UHFFFAOYSA-N -1 3 341.319 3.191 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(SC(=O)N(C)C)cc2)c([O-])c1O ZINC000780929183 1304752304 /nfs/dbraw/zinc/75/23/04/1304752304.db2.gz VQPCIQUCSJYXDR-UHFFFAOYSA-N -1 3 346.408 3.432 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)c([O-])c1O ZINC000780986315 1304757997 /nfs/dbraw/zinc/75/79/97/1304757997.db2.gz XTYCZIHWINYCJY-UHFFFAOYSA-N -1 3 343.770 3.498 20 10 EGCDHM COC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])c(C)cc1C ZINC000788568975 1305973274 /nfs/dbraw/zinc/97/32/74/1305973274.db2.gz GJAKIBHPWRZUGU-UHFFFAOYSA-N -1 3 329.352 3.062 20 10 EGCDHM CCCCCNC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893943206 1306138749 /nfs/dbraw/zinc/13/87/49/1306138749.db2.gz TYUFQCAAAVKVCL-UHFFFAOYSA-N -1 3 340.414 3.189 20 10 EGCDHM CC[C@H](C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2[nH]1 ZINC000790561784 1306351968 /nfs/dbraw/zinc/35/19/68/1306351968.db2.gz WFVPWGLMKHHGGF-MEDUHNTESA-N -1 3 339.395 3.491 20 10 EGCDHM CN(Cc1c([O-])ccc(Cl)c1F)C[C@H]1COc2ccccc2O1 ZINC000792157403 1309131548 /nfs/dbraw/zinc/13/15/48/1309131548.db2.gz WFXMUXUHONCXQO-NSHDSACASA-N -1 3 337.778 3.457 20 10 EGCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000807807849 1317588499 /nfs/dbraw/zinc/58/84/99/1317588499.db2.gz JJQRFZFLLUIINV-IRXDYDNUSA-N -1 3 341.407 3.416 20 10 EGCDHM CCN(C)C(=O)OC[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000809723368 1317878027 /nfs/dbraw/zinc/87/80/27/1317878027.db2.gz HFHJSCAQQFAESN-CQSZACIVSA-N -1 3 340.851 3.488 20 10 EGCDHM C[C@@H](NCc1ncn(-c2ccccc2)n1)c1cc(Cl)ccc1[O-] ZINC000815658024 1319039561 /nfs/dbraw/zinc/03/95/61/1319039561.db2.gz QKCPKXXYXJPXKR-GFCCVEGCSA-N -1 3 328.803 3.477 20 10 EGCDHM CC(C)(C)OC(=O)[C@H]1CN(Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816514065 1319171006 /nfs/dbraw/zinc/17/10/06/1319171006.db2.gz LHUJBWSPLACPOD-QGZVFWFLSA-N -1 3 343.423 3.088 20 10 EGCDHM CCn1nc(C)c(CN[C@H](C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000818347451 1319533720 /nfs/dbraw/zinc/53/37/20/1319533720.db2.gz ZYMCPVFIANXZDL-MRVPVSSYSA-N -1 3 329.231 3.470 20 10 EGCDHM COc1cccnc1CNCc1cc(C)cc(Br)c1[O-] ZINC000825249805 1320321457 /nfs/dbraw/zinc/32/14/57/1320321457.db2.gz OHZMVRZRJXDKKD-UHFFFAOYSA-N -1 3 337.217 3.157 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN2CC3(C2)CCCOC3)c1 ZINC000839137605 1320878463 /nfs/dbraw/zinc/87/84/63/1320878463.db2.gz GJESVIBUEYYZKA-UHFFFAOYSA-N -1 3 326.234 3.076 20 10 EGCDHM CCCN1CCN(C(=O)c2cccc(O)c2[O-])c2cc(F)ccc21 ZINC000848101498 1321932224 /nfs/dbraw/zinc/93/22/24/1321932224.db2.gz FQICKGNZXGIYPF-UHFFFAOYSA-N -1 3 330.359 3.114 20 10 EGCDHM CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1cccc(O)c1[O-] ZINC000855847123 1325421820 /nfs/dbraw/zinc/42/18/20/1325421820.db2.gz QTUJSZUIRFKGLV-INIZCTEOSA-N -1 3 345.370 3.229 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCc2c(O)cccc2C1 ZINC000862529335 1329492736 /nfs/dbraw/zinc/49/27/36/1329492736.db2.gz KZULJDLYRBFVAG-UHFFFAOYSA-N -1 3 334.213 3.419 20 10 EGCDHM CC(C)C[C@@](C)(O)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001183971415 1387377093 /nfs/dbraw/zinc/37/70/93/1387377093.db2.gz UIRCUGFEHRYKAR-QGZVFWFLSA-N -1 3 336.819 3.007 20 10 EGCDHM CC(C)n1nccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001189373344 1367005575 /nfs/dbraw/zinc/00/55/75/1367005575.db2.gz FKYGRDLXRFZOOL-UHFFFAOYSA-N -1 3 344.802 3.301 20 10 EGCDHM O=S(=O)(Cc1cccc(F)c1F)Nc1ccc([O-])c(Cl)c1 ZINC001189453125 1367025446 /nfs/dbraw/zinc/02/54/46/1367025446.db2.gz DDPLPOHNRBKVPV-UHFFFAOYSA-N -1 3 333.743 3.266 20 10 EGCDHM Cc1cc([O-])c(CN2CCN3C(=O)c4ccccc4[C@@H]3C2)cc1Cl ZINC001231867073 1376329812 /nfs/dbraw/zinc/32/98/12/1376329812.db2.gz HGCBRQZHICYGRI-KRWDZBQOSA-N -1 3 342.826 3.367 20 10 EGCDHM Cc1ccnc(O[C@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC001231913249 1376347953 /nfs/dbraw/zinc/34/79/53/1376347953.db2.gz JUFNWOLGKDDOHQ-AWEZNQCLSA-N -1 3 333.819 3.187 20 10 EGCDHM [O-]c1cc(O)c(CN2CCO[C@@H](Cc3ccccc3)C2)cc1Cl ZINC001232262586 1376426395 /nfs/dbraw/zinc/42/63/95/1376426395.db2.gz KUPCOFVOOATUJG-HNNXBMFYSA-N -1 3 333.815 3.195 20 10 EGCDHM C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCN1Cc1ccccc1 ZINC001233079121 1376565127 /nfs/dbraw/zinc/56/51/27/1376565127.db2.gz WLEUYWHPYVIVGP-AWEZNQCLSA-N -1 3 332.394 3.377 20 10 EGCDHM Cc1cccnc1O[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233080504 1376566150 /nfs/dbraw/zinc/56/61/50/1376566150.db2.gz VRSKWIPTEOISAR-AWEZNQCLSA-N -1 3 334.366 3.417 20 10 EGCDHM COc1ccccc1O[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233334768 1376619302 /nfs/dbraw/zinc/61/93/02/1376619302.db2.gz SIONHXBQWALWRM-LBPRGKRZSA-N -1 3 335.350 3.332 20 10 EGCDHM CCCc1noc([C@@H]2CCCN(Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139685910 1377934392 /nfs/dbraw/zinc/93/43/92/1377934392.db2.gz DSXFEPUIPKUQKS-LLVKDONJSA-N -1 3 337.370 3.386 20 10 EGCDHM CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1c([O-])cccc1Br ZINC001140104014 1378008528 /nfs/dbraw/zinc/00/85/28/1378008528.db2.gz YXLGAFPCWUOLGA-HZMBPMFUSA-N -1 3 344.249 3.174 20 10 EGCDHM COC(=O)[C@H](Cc1ccccc1)N(C)Cc1c([O-])cccc1Cl ZINC001140341930 1378049940 /nfs/dbraw/zinc/04/99/40/1378049940.db2.gz LKRPCYZSACCPMT-INIZCTEOSA-N -1 3 333.815 3.262 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(Cl)cc1[O-] ZINC001140462844 1378067515 /nfs/dbraw/zinc/06/75/15/1378067515.db2.gz MGMZLHPHIJJFJB-KBPBESRZSA-N -1 3 338.835 3.239 20 10 EGCDHM Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3[O-])CC2)cc1 ZINC001140466079 1378067882 /nfs/dbraw/zinc/06/78/82/1378067882.db2.gz WLUZPORQJIUCQM-UHFFFAOYSA-N -1 3 344.842 3.312 20 10 EGCDHM CC1(C)CN(Cc2cc(Br)c(F)cc2[O-])[C@@](C)(CO)C1 ZINC001144299270 1378712653 /nfs/dbraw/zinc/71/26/53/1378712653.db2.gz UHVILBRACQVRNA-OAHLLOKOSA-N -1 3 346.240 3.277 20 10 EGCDHM O=C1CCC[C@@H]2CN(Cc3cc(Br)c(F)cc3[O-])C[C@H]12 ZINC001144308457 1378715023 /nfs/dbraw/zinc/71/50/23/1378715023.db2.gz NEKLFFNDNRPSSD-KOLCDFICSA-N -1 3 342.208 3.095 20 10 EGCDHM O=C(Nc1ccc(-c2cccc(O)c2)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148586114 1379216971 /nfs/dbraw/zinc/21/69/71/1379216971.db2.gz JKCNTBNVNDHYTI-UHFFFAOYSA-N -1 3 337.331 3.428 20 10 EGCDHM CC[C@H]1CO[C@](C)(CCC(C)C)N1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584906 1379217569 /nfs/dbraw/zinc/21/75/69/1379217569.db2.gz ZLUWHUQEWIQGGB-SCLBCKFNSA-N -1 3 337.416 3.207 20 10 EGCDHM COc1cc(OC)nc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157724878 1381016066 /nfs/dbraw/zinc/01/60/66/1381016066.db2.gz XIGROLGULTUUEB-UHFFFAOYSA-N -1 3 346.774 3.013 20 10 EGCDHM CCOc1nccc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157726283 1381016098 /nfs/dbraw/zinc/01/60/98/1381016098.db2.gz IHNCVLDQFCCELM-UHFFFAOYSA-N -1 3 330.775 3.395 20 10 EGCDHM Cc1ccc(C(N)=O)c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157726539 1381016411 /nfs/dbraw/zinc/01/64/11/1381016411.db2.gz QFEVMURSBVIAFD-UHFFFAOYSA-N -1 3 342.786 3.008 20 10 EGCDHM [O-]c1c(CNc2cnc3c(c2)CCCN3)cc(Cl)c2cccnc12 ZINC001168525587 1383930649 /nfs/dbraw/zinc/93/06/49/1383930649.db2.gz GWDUHWMSPSZNCM-UHFFFAOYSA-N -1 3 340.814 3.247 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000843039637 955620219 /nfs/dbraw/zinc/62/02/19/955620219.db2.gz DEKSYBLIVFITAW-ZANVPECISA-N -1 3 342.233 3.006 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000843039637 955620230 /nfs/dbraw/zinc/62/02/30/955620230.db2.gz DEKSYBLIVFITAW-ZANVPECISA-N -1 3 342.233 3.006 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)c1[O-] ZINC000844940186 955684603 /nfs/dbraw/zinc/68/46/03/955684603.db2.gz SXUVRUUHHRQOIJ-SFHVURJKSA-N -1 3 349.814 3.186 20 10 EGCDHM O=C([O-])CCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001606170330 973416955 /nfs/dbraw/zinc/41/69/55/973416955.db2.gz IFQMRXFWZGMCFV-UHFFFAOYSA-N -1 3 329.396 3.316 20 10 EGCDHM CCOCc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OC ZINC000841794360 979311658 /nfs/dbraw/zinc/31/16/58/979311658.db2.gz FCVSMVAGKKWOGA-UHFFFAOYSA-N -1 3 329.396 3.220 20 10 EGCDHM CCN(CC)c1ccc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000900069347 980240915 /nfs/dbraw/zinc/24/09/15/980240915.db2.gz YLALGYWUOFCAHN-MRXNPFEDSA-N -1 3 342.443 3.052 20 10 EGCDHM C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593304868 994755410 /nfs/dbraw/zinc/75/54/10/994755410.db2.gz RWTVOSSAJWXWCA-CYBMUJFWSA-N -1 3 337.379 3.127 20 10 EGCDHM COc1cc(Cl)cc(CN2CCC(c3nc(C)no3)CC2)c1[O-] ZINC000184681507 455427248 /nfs/dbraw/zinc/42/72/48/455427248.db2.gz RDILEXZIDNFOGM-UHFFFAOYSA-N -1 3 337.807 3.125 20 10 EGCDHM CCC1(CO)CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000093591372 454722351 /nfs/dbraw/zinc/72/23/51/454722351.db2.gz OSKPEONTLIYCPG-UHFFFAOYSA-N -1 3 328.250 3.139 20 10 EGCDHM CCN(Cc1ccc(CO)o1)Cc1cc(Br)ccc1[O-] ZINC000093866960 454741131 /nfs/dbraw/zinc/74/11/31/454741131.db2.gz XGONQPRIHYSTHT-UHFFFAOYSA-N -1 3 340.217 3.262 20 10 EGCDHM COC[C@H](C)n1c(C)cc(C(=O)CN(C)Cc2ccccc2[O-])c1C ZINC000111235721 454859049 /nfs/dbraw/zinc/85/90/49/454859049.db2.gz ZMPHALXMNMOTST-HNNXBMFYSA-N -1 3 344.455 3.333 20 10 EGCDHM COc1ccc(CN(C(=O)c2ccc(C)c(O)c2[O-])C2CC2)cc1 ZINC000177663362 454889386 /nfs/dbraw/zinc/88/93/86/454889386.db2.gz UEZZYIAXDXODFL-UHFFFAOYSA-N -1 3 327.380 3.220 20 10 EGCDHM O=C1CCCCN1CC1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000128782018 455082430 /nfs/dbraw/zinc/08/24/30/455082430.db2.gz RVHGPEPXJOAVTB-UHFFFAOYSA-N -1 3 336.863 3.270 20 10 EGCDHM O=C(c1ccccc1F)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179922192 455099964 /nfs/dbraw/zinc/09/99/64/455099964.db2.gz TUOORCWUQRKZND-UHFFFAOYSA-N -1 3 346.377 3.019 20 10 EGCDHM CC(C)Cn1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000182960229 455200163 /nfs/dbraw/zinc/20/01/63/455200163.db2.gz OHIBJWACHRMANV-LJQANCHMSA-N -1 3 343.471 3.426 20 10 EGCDHM O=C(CNCc1cccc(Cl)c1[O-])N1CCCc2ccccc21 ZINC000181033949 455278498 /nfs/dbraw/zinc/27/84/98/455278498.db2.gz JSWFSRAPZKERFH-UHFFFAOYSA-N -1 3 330.815 3.115 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1ccncc1 ZINC000182109345 455438445 /nfs/dbraw/zinc/43/84/45/455438445.db2.gz XNXTZNVUQPGCSS-UHFFFAOYSA-N -1 3 349.228 3.141 20 10 EGCDHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c([O-])c1O ZINC000182607947 455551692 /nfs/dbraw/zinc/55/16/92/455551692.db2.gz ROSJWGCIVCCEHR-RISCZKNCSA-N -1 3 333.409 3.070 20 10 EGCDHM C[C@H]1CCS(=O)(=O)CCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000277643128 455622179 /nfs/dbraw/zinc/62/21/79/455622179.db2.gz YOMDWOWQLCRZIE-HNNXBMFYSA-N -1 3 345.464 3.068 20 10 EGCDHM CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cccc(O)c1[O-] ZINC000185824323 455628614 /nfs/dbraw/zinc/62/86/14/455628614.db2.gz GQKSNGRKTJZNNK-KRWDZBQOSA-N -1 3 347.386 3.069 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)c1[O-] ZINC000268534897 455708936 /nfs/dbraw/zinc/70/89/36/455708936.db2.gz ZRPOQAKCAYRMLT-LBPRGKRZSA-N -1 3 348.834 3.054 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3nc(C)n[nH]3)C2)c1[O-] ZINC000268534897 455708941 /nfs/dbraw/zinc/70/89/41/455708941.db2.gz ZRPOQAKCAYRMLT-LBPRGKRZSA-N -1 3 348.834 3.054 20 10 EGCDHM C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000186195589 455713830 /nfs/dbraw/zinc/71/38/30/455713830.db2.gz OCUASCBSOQCXIN-KDOFPFPSSA-N -1 3 342.414 3.373 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000285305948 455821856 /nfs/dbraw/zinc/82/18/56/455821856.db2.gz WDWBSIJVWCTYPP-DZGCQCFKSA-N -1 3 326.234 3.298 20 10 EGCDHM CO[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1(C)C ZINC000294718480 455824495 /nfs/dbraw/zinc/82/44/95/455824495.db2.gz CIWGXOVCBLICOL-ZDUSSCGKSA-N -1 3 328.796 3.201 20 10 EGCDHM COc1c([O-])c(CNC(C)(C)c2nc(C)cs2)ccc1[N+](=O)[O-] ZINC000278500602 455837694 /nfs/dbraw/zinc/83/76/94/455837694.db2.gz NUYFECTXPPRXRV-UHFFFAOYSA-N -1 3 337.401 3.099 20 10 EGCDHM CCNC(=O)N1CCc2ccc(NCc3cc(F)ccc3[O-])cc21 ZINC000295435274 455849060 /nfs/dbraw/zinc/84/90/60/455849060.db2.gz PAUTWFXJVXKVEG-UHFFFAOYSA-N -1 3 329.375 3.235 20 10 EGCDHM Cc1ccc(C)c(OC2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000187012079 455861996 /nfs/dbraw/zinc/86/19/96/455861996.db2.gz IZWLUZSQSCEGSM-UHFFFAOYSA-N -1 3 341.407 3.398 20 10 EGCDHM CC(C)CO[C@@H](C)c1noc(CN(C)Cc2cc(F)ccc2[O-])n1 ZINC000272253002 455892890 /nfs/dbraw/zinc/89/28/90/455892890.db2.gz CIURNRUEJMRZQF-LBPRGKRZSA-N -1 3 337.395 3.280 20 10 EGCDHM CCOc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000188090969 455995500 /nfs/dbraw/zinc/99/55/00/455995500.db2.gz RRPRZFWLCCWWQX-INIZCTEOSA-N -1 3 327.380 3.474 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN[C@H]1COc2ccccc2[C@@H]1O ZINC000288671331 456102579 /nfs/dbraw/zinc/10/25/79/456102579.db2.gz WKWAKOREZLYSIO-BBRMVZONSA-N -1 3 340.206 3.283 20 10 EGCDHM CNC(=O)COc1ccc(N[C@H](C)c2ccc(F)cc2[O-])c(C)c1 ZINC000281205684 456164826 /nfs/dbraw/zinc/16/48/26/456164826.db2.gz SHLXJRFMMFQQKW-GFCCVEGCSA-N -1 3 332.375 3.138 20 10 EGCDHM C[C@H](NCc1ccc(OCC2CC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273565466 456239424 /nfs/dbraw/zinc/23/94/24/456239424.db2.gz JKGOOSYLEBTTLE-LBPRGKRZSA-N -1 3 343.383 3.335 20 10 EGCDHM CCCCN(CC(=O)N(C)c1nccs1)Cc1ccccc1[O-] ZINC000282512772 456537934 /nfs/dbraw/zinc/53/79/34/456537934.db2.gz SDUOSEBHGAIEPT-UHFFFAOYSA-N -1 3 333.457 3.114 20 10 EGCDHM [O-]c1ccccc1CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000276797881 456582932 /nfs/dbraw/zinc/58/29/32/456582932.db2.gz GCFGMVRWRAXSQR-MRXNPFEDSA-N -1 3 343.427 3.396 20 10 EGCDHM C[C@H](NCC(=O)N(C)C1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000276928770 456623819 /nfs/dbraw/zinc/62/38/19/456623819.db2.gz NTFBPYCASCUULQ-NSHDSACASA-N -1 3 326.387 3.112 20 10 EGCDHM O=C1COc2c(NCc3cc(Br)ccc3[O-])cccc2N1 ZINC000370667158 457695567 /nfs/dbraw/zinc/69/55/67/457695567.db2.gz YKWRWTXNTVFSFL-UHFFFAOYSA-N -1 3 349.184 3.098 20 10 EGCDHM O=C1Nc2ccccc2[C@@]12CCN(Cc1c([O-])ccc(Cl)c1F)C2 ZINC000375463193 457938815 /nfs/dbraw/zinc/93/88/15/457938815.db2.gz ZMXLWILRXSSTPE-SFHVURJKSA-N -1 3 346.789 3.281 20 10 EGCDHM CC[C@H](NCc1cnnn1CC)c1cc(Br)ccc1[O-] ZINC000527921083 459772552 /nfs/dbraw/zinc/77/25/52/459772552.db2.gz TVKHIAQPRMIYNB-ZDUSSCGKSA-N -1 3 339.237 3.007 20 10 EGCDHM [O-]c1ccc2ccncc2c1CN1CCCN(CC(F)(F)F)CC1 ZINC000738069748 574633037 /nfs/dbraw/zinc/63/30/37/574633037.db2.gz KUCFQAPLJJKXLL-UHFFFAOYSA-N -1 3 339.361 3.010 20 10 EGCDHM COc1cccc([C@@H](CNC(=O)c2cc([O-])cs2)N2CCCC2)c1 ZINC000731861455 575213024 /nfs/dbraw/zinc/21/30/24/575213024.db2.gz BSFGXCLNPCHNBG-MRXNPFEDSA-N -1 3 346.452 3.029 20 10 EGCDHM O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cc([O-])cs1 ZINC000731870996 575213870 /nfs/dbraw/zinc/21/38/70/575213870.db2.gz UDAZNTXJHGOSDY-UHFFFAOYSA-N -1 3 330.409 3.332 20 10 EGCDHM C[C@H]1CN(c2ccc(NC(=O)c3cc([O-])cs3)cc2)C[C@H](C)O1 ZINC000731872438 575214351 /nfs/dbraw/zinc/21/43/51/575214351.db2.gz KIBDSYBTLUYCAW-RYUDHWBXSA-N -1 3 332.425 3.320 20 10 EGCDHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1)c1ccc(F)cc1 ZINC000731912175 575218742 /nfs/dbraw/zinc/21/87/42/575218742.db2.gz PUDKLAUMXFLYPL-ZJUUUORDSA-N -1 3 337.372 3.016 20 10 EGCDHM CCOc1cc2c(cc1CNC(=O)c1cc([O-])cs1)O[C@H](C)C2 ZINC000732258843 575250185 /nfs/dbraw/zinc/25/01/85/575250185.db2.gz YMLQNLWMQPXJCR-SNVBAGLBSA-N -1 3 333.409 3.106 20 10 EGCDHM COc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])cs2)cc1OC ZINC000732265593 575250322 /nfs/dbraw/zinc/25/03/22/575250322.db2.gz BURIPTLHKYNBTD-ZDUSSCGKSA-N -1 3 333.409 3.448 20 10 EGCDHM CC(C)[C@@H](NC(=O)c1cc([O-])cs1)c1nc(-c2cccnc2)no1 ZINC000732282829 575254615 /nfs/dbraw/zinc/25/46/15/575254615.db2.gz VOYVDQWDUDXWJF-CYBMUJFWSA-N -1 3 344.396 3.026 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000732284019 575255002 /nfs/dbraw/zinc/25/50/02/575255002.db2.gz GTCPFLGLHNWCEJ-ZDUSSCGKSA-N -1 3 331.393 3.202 20 10 EGCDHM C[C@@H](c1ccc(NC(=O)c2cc([O-])cs2)cc1)N1CCOCC1 ZINC000732287955 575255465 /nfs/dbraw/zinc/25/54/65/575255465.db2.gz JTPNXRHUAMGZHR-LBPRGKRZSA-N -1 3 332.425 3.099 20 10 EGCDHM CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)cc1 ZINC000732354056 575261669 /nfs/dbraw/zinc/26/16/69/575261669.db2.gz ZAZFZSUQKBVMBZ-NWDGAFQWSA-N -1 3 347.436 3.439 20 10 EGCDHM O=C(COC(=O)c1cc([O-])cs1)NCCCC1CCCCC1 ZINC000732355043 575261942 /nfs/dbraw/zinc/26/19/42/575261942.db2.gz AQRUCNVRLWXRGW-UHFFFAOYSA-N -1 3 325.430 3.087 20 10 EGCDHM CC(C)C[C@H](NC(=O)c1cc([O-])cs1)C(=O)OCc1ccccc1 ZINC000733809291 575393285 /nfs/dbraw/zinc/39/32/85/575393285.db2.gz GNIMRRKZNBFFFD-HNNXBMFYSA-N -1 3 347.436 3.342 20 10 EGCDHM Cc1oc(C(=O)[O-])cc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000738958145 576370763 /nfs/dbraw/zinc/37/07/63/576370763.db2.gz RSKULMLPLNWHNR-MRXNPFEDSA-N -1 3 345.395 3.173 20 10 EGCDHM COc1cccc(-c2noc([C@@H](C)NC(=O)c3cc([O-])cs3)n2)c1 ZINC000743798196 576816064 /nfs/dbraw/zinc/81/60/64/576816064.db2.gz BADAYCQUEGHOAS-SECBINFHSA-N -1 3 345.380 3.003 20 10 EGCDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C)c(C)cc1O ZINC000825632422 609477436 /nfs/dbraw/zinc/47/74/36/609477436.db2.gz RBSNTYYBHNQBON-UHFFFAOYSA-N -1 3 339.399 3.200 20 10 EGCDHM O=S(=O)([N-]Cc1ccccc1O)c1cc(Cl)ccc1Cl ZINC000158583355 1294208551 /nfs/dbraw/zinc/20/85/51/1294208551.db2.gz GEFPTQHCFGDJBU-UHFFFAOYSA-N -1 3 332.208 3.178 20 10 EGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)ccc1O ZINC000181735012 1294990565 /nfs/dbraw/zinc/99/05/65/1294990565.db2.gz AHVXSLYBJPVFBM-UHFFFAOYSA-N -1 3 343.351 3.145 20 10 EGCDHM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cccc(O)c1[O-] ZINC000185845832 1295290951 /nfs/dbraw/zinc/29/09/51/1295290951.db2.gz KQMDTRSMUPFAKS-UHFFFAOYSA-N -1 3 341.285 3.269 20 10 EGCDHM O=C(Nc1cccc(OCc2cccnc2)c1)c1cccc(O)c1[O-] ZINC000186966621 1295358661 /nfs/dbraw/zinc/35/86/61/1295358661.db2.gz KYXINTYCDGVYSX-UHFFFAOYSA-N -1 3 336.347 3.324 20 10 EGCDHM COc1ccc([C@H](NC(=O)c2cccc(O)c2[O-])C(F)(F)F)cc1 ZINC000193157776 1295838153 /nfs/dbraw/zinc/83/81/53/1295838153.db2.gz SLMXVLNQIOYGGY-AWEZNQCLSA-N -1 3 341.285 3.140 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](OCc2ccccn2)C1 ZINC000877646028 1299452549 /nfs/dbraw/zinc/45/25/49/1299452549.db2.gz ZZHBTXUFWPDKTJ-ZDUSSCGKSA-N -1 3 336.794 3.371 20 10 EGCDHM CC[C@@H](NCc1cc(Br)ccc1[O-])C(=O)OC(C)(C)C ZINC000763499201 1301914728 /nfs/dbraw/zinc/91/47/28/1301914728.db2.gz BWFDTWVKFAVMMU-GFCCVEGCSA-N -1 3 344.249 3.365 20 10 EGCDHM [O-]c1c(F)cc(F)cc1CNc1cccc(CN2CCOCC2)c1 ZINC000883057458 1302225984 /nfs/dbraw/zinc/22/59/84/1302225984.db2.gz OXTWOLQXANZCAK-UHFFFAOYSA-N -1 3 334.366 3.115 20 10 EGCDHM O=C(c1ccsc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768930196 1303015915 /nfs/dbraw/zinc/01/59/15/1303015915.db2.gz MOYPWIDPXDWIJA-UHFFFAOYSA-N -1 3 336.844 3.065 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000769523632 1303134987 /nfs/dbraw/zinc/13/49/87/1303134987.db2.gz BZCKLEVUEXXYHR-CQSZACIVSA-N -1 3 346.254 3.469 20 10 EGCDHM Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)c([O-])c1O ZINC000770468532 1303273295 /nfs/dbraw/zinc/27/32/95/1303273295.db2.gz JKVADKHOZINDEC-UHFFFAOYSA-N -1 3 335.743 3.083 20 10 EGCDHM Cc1ccnc(-c2nnc([C@@H](C)[NH2+][C@H](C)c3c([O-])cccc3F)[n-]2)c1 ZINC000886603647 1303519422 /nfs/dbraw/zinc/51/94/22/1303519422.db2.gz SRBUAMOJTWMSOB-VXGBXAGGSA-N -1 3 341.390 3.432 20 10 EGCDHM COc1c([O-])c(CNc2cccc3ncccc32)ccc1[N+](=O)[O-] ZINC000775048706 1303894696 /nfs/dbraw/zinc/89/46/96/1303894696.db2.gz PSZCNYDXGKPXLX-UHFFFAOYSA-N -1 3 325.324 3.469 20 10 EGCDHM O=C(N[C@H]1CCc2c1cccc2Br)c1cccc(O)c1[O-] ZINC000776644805 1304181644 /nfs/dbraw/zinc/18/16/44/1304181644.db2.gz FKMGEROWFGKYMU-ZDUSSCGKSA-N -1 3 348.196 3.278 20 10 EGCDHM CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1cc(F)ccc1[O-] ZINC000779013921 1304518803 /nfs/dbraw/zinc/51/88/03/1304518803.db2.gz NNBICWXICAFYOX-KRWDZBQOSA-N -1 3 331.387 3.138 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)nc2)c([O-])c1O ZINC000780862833 1304746023 /nfs/dbraw/zinc/74/60/23/1304746023.db2.gz ROLDODXJXJMNPB-UHFFFAOYSA-N -1 3 327.384 3.044 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c([O-])c1O ZINC000780926564 1304752165 /nfs/dbraw/zinc/75/21/65/1304752165.db2.gz JRCXVWMILXUZKO-UHFFFAOYSA-N -1 3 343.770 3.498 20 10 EGCDHM CCn1c2ccc(C)cc2nc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000781012297 1304760925 /nfs/dbraw/zinc/76/09/25/1304760925.db2.gz FUPSQBNZKXYJRQ-UHFFFAOYSA-N -1 3 325.368 3.337 20 10 EGCDHM Cn1cc(CCNC(=O)c2cccc(O)c2[O-])c2ccc(Cl)cc21 ZINC000781418406 1304825018 /nfs/dbraw/zinc/82/50/18/1304825018.db2.gz QSURJSZATSLCOY-UHFFFAOYSA-N -1 3 344.798 3.215 20 10 EGCDHM C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894018972 1306177230 /nfs/dbraw/zinc/17/72/30/1306177230.db2.gz DDCSBFNIXMSRPL-JTQLQIEISA-N -1 3 330.375 3.015 20 10 EGCDHM O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(O)c1[O-] ZINC000790577461 1306356493 /nfs/dbraw/zinc/35/64/93/1306356493.db2.gz VUJDIDVJTXTSTM-GFCCVEGCSA-N -1 3 346.814 3.008 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccnc(N2CCCC2)c1 ZINC000790949131 1308892722 /nfs/dbraw/zinc/89/27/22/1308892722.db2.gz BZJMQPOQKBYLCF-UHFFFAOYSA-N -1 3 335.810 3.470 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCc2cc(Br)ccc2C1 ZINC000790988758 1308904703 /nfs/dbraw/zinc/90/47/03/1308904703.db2.gz AFEWNFQNXXYWKU-UHFFFAOYSA-N -1 3 348.196 3.059 20 10 EGCDHM CCC[C@@]1(CO)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894785712 1309070707 /nfs/dbraw/zinc/07/07/07/1309070707.db2.gz AEXLKOYIQUHDMO-OAHLLOKOSA-N -1 3 346.240 3.278 20 10 EGCDHM COCCCC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000792554950 1309184914 /nfs/dbraw/zinc/18/49/14/1309184914.db2.gz HBWRPTZOEVDMBB-MRXNPFEDSA-N -1 3 329.396 3.386 20 10 EGCDHM CN(Cc1cnc[nH]1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000895223657 1309246473 /nfs/dbraw/zinc/24/64/73/1309246473.db2.gz BMXOKMGIZYWJLD-UHFFFAOYSA-N -1 3 330.613 3.163 20 10 EGCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C2CC2)O1 ZINC000825738426 1320359777 /nfs/dbraw/zinc/35/97/77/1320359777.db2.gz NXAQOSLYYWILAT-MEBBXXQBSA-N -1 3 326.234 3.154 20 10 EGCDHM CC[C@@H](N[C@H](C)c1ncn(C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238021 1317984291 /nfs/dbraw/zinc/98/42/91/1317984291.db2.gz HIAPELIVOZJBIE-BXKDBHETSA-N -1 3 328.338 3.341 20 10 EGCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCN1C1CCCC1 ZINC000822949853 1320140256 /nfs/dbraw/zinc/14/02/56/1320140256.db2.gz RUTAQXBESMQTFB-AWEZNQCLSA-N -1 3 343.254 3.332 20 10 EGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000823752408 1320203689 /nfs/dbraw/zinc/20/36/89/1320203689.db2.gz FBLYEBAKDYYZKJ-LBPRGKRZSA-N -1 3 338.285 3.495 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000837065415 1320569588 /nfs/dbraw/zinc/56/95/88/1320569588.db2.gz ZYQXUATZUOMBLA-UHFFFAOYSA-N -1 3 347.361 3.471 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])c1[O-] ZINC000840998610 1321196618 /nfs/dbraw/zinc/19/66/18/1321196618.db2.gz KDYHDZITKJFWAA-GFCCVEGCSA-N -1 3 329.824 3.423 20 10 EGCDHM COc1cccc(OC)c1CNCc1c([O-])ccc(Cl)c1F ZINC000850355680 1322233627 /nfs/dbraw/zinc/23/36/27/1322233627.db2.gz LQSLNPXNSDOUER-UHFFFAOYSA-N -1 3 325.767 3.492 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCOC(C3CC3)(C3CC3)C2)c1[O-] ZINC000852650233 1323222323 /nfs/dbraw/zinc/22/23/23/1323222323.db2.gz AADZWAGNVBWOCW-UHFFFAOYSA-N -1 3 333.403 3.125 20 10 EGCDHM Cc1noc([C@H]2CCCN2Cc2c([O-])cccc2Br)n1 ZINC000862366876 1329478649 /nfs/dbraw/zinc/47/86/49/1329478649.db2.gz ZVXRWUDYSRGWTJ-GFCCVEGCSA-N -1 3 338.205 3.183 20 10 EGCDHM [O-]c1cc(Br)cc(F)c1CN1CC[C@]2(C1)CCCOC2 ZINC001233029842 1376558043 /nfs/dbraw/zinc/55/80/43/1376558043.db2.gz KBTXHYXUTYYBKQ-HNNXBMFYSA-N -1 3 344.224 3.296 20 10 EGCDHM CN(C)c1ccc(/C=C/c2ccc(NC(=O)c3cnn[n-]3)cc2)cc1 ZINC001189351367 1367000447 /nfs/dbraw/zinc/00/04/47/1367000447.db2.gz FLSJJIBASXQGDO-ONEGZZNKSA-N -1 3 333.395 3.293 20 10 EGCDHM CN(C)c1ccc(C=Cc2ccc(NC(=O)c3c[n-]nn3)cc2)cc1 ZINC001189351367 1367000451 /nfs/dbraw/zinc/00/04/51/1367000451.db2.gz FLSJJIBASXQGDO-ONEGZZNKSA-N -1 3 333.395 3.293 20 10 EGCDHM CN(C)c1ccc(C=Cc2ccc(NC(=O)c3cn[n-]n3)cc2)cc1 ZINC001189351367 1367000452 /nfs/dbraw/zinc/00/04/52/1367000452.db2.gz FLSJJIBASXQGDO-ONEGZZNKSA-N -1 3 333.395 3.293 20 10 EGCDHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N(C)C)c2)c(C)c1C ZINC001194863930 1368336816 /nfs/dbraw/zinc/33/68/16/1368336816.db2.gz JBZKKROIKABBLR-UHFFFAOYSA-N -1 3 348.468 3.487 20 10 EGCDHM CC(C)(C)OC(=O)N1CC2(CN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001203650801 1370201442 /nfs/dbraw/zinc/20/14/42/1370201442.db2.gz CTWKNZUMRVEHSM-UHFFFAOYSA-N -1 3 338.835 3.098 20 10 EGCDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2cn(CC)nc21 ZINC001203658806 1370204907 /nfs/dbraw/zinc/20/49/07/1370204907.db2.gz PBIBZGHJEQNLSK-OAHLLOKOSA-N -1 3 349.862 3.398 20 10 EGCDHM CCOc1ccc(-c2noc(-c3cccc(O)c3[O-])n2)c(F)c1F ZINC001215145748 1373178176 /nfs/dbraw/zinc/17/81/76/1373178176.db2.gz GXAPPMUOQCAVOC-UHFFFAOYSA-N -1 3 334.278 3.492 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001215325208 1373198113 /nfs/dbraw/zinc/19/81/13/1373198113.db2.gz GSEILANWCDXNRU-UHFFFAOYSA-N -1 3 326.308 3.062 20 10 EGCDHM CCCOC[C@@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380102 1375248989 /nfs/dbraw/zinc/24/89/89/1375248989.db2.gz NGTUXZLENSRYMT-GFCCVEGCSA-N -1 3 340.375 3.362 20 10 EGCDHM C[C@H]1C[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)CCO1 ZINC001226382431 1375249919 /nfs/dbraw/zinc/24/99/19/1375249919.db2.gz BTSDFWBDKHLCEW-RYUDHWBXSA-N -1 3 338.359 3.114 20 10 EGCDHM CC[C@H](COC)Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229543303 1375853216 /nfs/dbraw/zinc/85/32/16/1375853216.db2.gz YOQNMVHYSPLJQY-GFCCVEGCSA-N -1 3 340.375 3.280 20 10 EGCDHM Cc1cncnc1O[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231914065 1376349280 /nfs/dbraw/zinc/34/92/80/1376349280.db2.gz XNBPJONVZWZGQE-AWEZNQCLSA-N -1 3 333.819 3.187 20 10 EGCDHM COc1cc([O-])c(CN2CCN(c3ccc(C)cn3)CC2)cc1Cl ZINC001232269715 1376427371 /nfs/dbraw/zinc/42/73/71/1376427371.db2.gz IQDUCDXBBIACMG-UHFFFAOYSA-N -1 3 347.846 3.080 20 10 EGCDHM CC(C)(C)OC(=O)C[C@H]1CCCN1Cc1c([O-])ccc(F)c1F ZINC001233336077 1376619515 /nfs/dbraw/zinc/61/95/15/1376619515.db2.gz XTVHRYYJQWSIFK-LLVKDONJSA-N -1 3 327.371 3.367 20 10 EGCDHM CCOc1cccc(N2CCN(Cc3cccc(F)c3[O-])CC2)c1 ZINC001138129657 1377682792 /nfs/dbraw/zinc/68/27/92/1377682792.db2.gz PUPMCGCGKTZSKP-UHFFFAOYSA-N -1 3 330.403 3.252 20 10 EGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC(C)(C)OC(C)(C)C1 ZINC001139133206 1377835518 /nfs/dbraw/zinc/83/55/18/1377835518.db2.gz DZGMGTORKDQBJH-UHFFFAOYSA-N -1 3 331.412 3.196 20 10 EGCDHM COc1ccccc1O[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139683283 1377933713 /nfs/dbraw/zinc/93/37/13/1377933713.db2.gz KFDZNJKNMJYVKS-GFCCVEGCSA-N -1 3 335.350 3.332 20 10 EGCDHM CCOc1cccc(N2CCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC001140341825 1378050157 /nfs/dbraw/zinc/05/01/57/1378050157.db2.gz JCIBAIXVOLJGGY-UHFFFAOYSA-N -1 3 347.846 3.162 20 10 EGCDHM CN(CCCCNC(=O)OC(C)(C)C)Cc1c([O-])cc(F)cc1F ZINC001140584225 1378090384 /nfs/dbraw/zinc/09/03/84/1378090384.db2.gz JOUDBJUVSNCPKD-UHFFFAOYSA-N -1 3 344.402 3.407 20 10 EGCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001140585217 1378090508 /nfs/dbraw/zinc/09/05/08/1378090508.db2.gz ZRFZDDNTJHYFJM-JKSUJKDBSA-N -1 3 328.378 3.069 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc(F)ncc1F ZINC001146974001 1378950415 /nfs/dbraw/zinc/95/04/15/1378950415.db2.gz QYGAJENWQQIFFR-UHFFFAOYSA-N -1 3 349.724 3.197 20 10 EGCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001148584572 1379217426 /nfs/dbraw/zinc/21/74/26/1379217426.db2.gz UMIBXVYFWZPEOM-HNNXBMFYSA-N -1 3 338.363 3.262 20 10 EGCDHM O=C(NCc1cccc(-c2cccs2)c1)c1cc(O)c([O-])c(O)c1 ZINC001148590207 1379218428 /nfs/dbraw/zinc/21/84/28/1379218428.db2.gz ZARCMGFWUIKKQB-UHFFFAOYSA-N -1 3 341.388 3.462 20 10 EGCDHM COc1nc(NCc2cc(Cl)c3cccnc3c2[O-])nc(C)c1F ZINC001168527802 1383930099 /nfs/dbraw/zinc/93/00/99/1383930099.db2.gz KWUDPXRQPFLFHJ-UHFFFAOYSA-N -1 3 348.765 3.452 20 10 EGCDHM Nc1cc(Cl)nc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168528245 1383930672 /nfs/dbraw/zinc/93/06/72/1383930672.db2.gz QUHNSFKPDRYSKP-UHFFFAOYSA-N -1 3 336.182 3.232 20 10 EGCDHM Nc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1Cl ZINC001175050860 1385186529 /nfs/dbraw/zinc/18/65/29/1385186529.db2.gz HSXSZAROKSUPKC-UHFFFAOYSA-N -1 3 333.196 3.082 20 10 EGCDHM CCC1(CO)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001332690551 1390153800 /nfs/dbraw/zinc/15/38/00/1390153800.db2.gz BYGPYAATFOLOAT-UHFFFAOYSA-N -1 3 346.240 3.278 20 10 EGCDHM CC[C@H](NCc1ccc(Br)cc1[O-])C(=O)OC(C)(C)C ZINC001347401238 1391069555 /nfs/dbraw/zinc/06/95/55/1391069555.db2.gz QNHCWXLTPPODMT-LBPRGKRZSA-N -1 3 344.249 3.365 20 10 EGCDHM CN(C)c1ccc(CN2CCC(C(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC000840995302 955582991 /nfs/dbraw/zinc/58/29/91/955582991.db2.gz DHVYFQAUYLRUKN-UHFFFAOYSA-N -1 3 330.350 3.068 20 10 EGCDHM CCOCc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1OC ZINC001603842332 974343005 /nfs/dbraw/zinc/34/30/05/974343005.db2.gz QNLVJVKUUNIPFS-GOSISDBHSA-N -1 3 347.386 3.286 20 10 EGCDHM CCOc1ccccc1CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001597172179 987001694 /nfs/dbraw/zinc/00/16/94/987001694.db2.gz FOKBJCKXQDQOIL-ZDUSSCGKSA-N -1 3 329.396 3.382 20 10 EGCDHM CCc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001597514161 988117077 /nfs/dbraw/zinc/11/70/77/988117077.db2.gz IUIPOTYAXXCMQL-KZULUSFZSA-N -1 3 329.396 3.037 20 10 EGCDHM COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599600787 993812061 /nfs/dbraw/zinc/81/20/61/993812061.db2.gz NBRDEFHYIXOYPA-STQMWFEESA-N -1 3 345.395 3.217 20 10 EGCDHM O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1cccc(O)c1[O-] ZINC000193150735 240037981 /nfs/dbraw/zinc/03/79/81/240037981.db2.gz YERNHXRMSBNORC-KRWDZBQOSA-N -1 3 338.338 3.151 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1[nH]ccc1C ZINC000281397697 456223906 /nfs/dbraw/zinc/22/39/06/456223906.db2.gz VYGMQTDTOUOWNZ-UHFFFAOYSA-N -1 3 337.217 3.454 20 10 EGCDHM O=[N+]([O-])c1ccccc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976215 454190694 /nfs/dbraw/zinc/19/06/94/454190694.db2.gz CCMNPSLCSOKHSI-KRWDZBQOSA-N -1 3 342.395 3.482 20 10 EGCDHM [O-]c1ccccc1CN(Cc1cn2ccccc2n1)C[C@@H]1CCCO1 ZINC000070976675 454191394 /nfs/dbraw/zinc/19/13/94/454191394.db2.gz XEIXIGIBHBEETD-SFHVURJKSA-N -1 3 337.423 3.221 20 10 EGCDHM Cn1cnnc1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000091795191 454473330 /nfs/dbraw/zinc/47/33/30/454473330.db2.gz NIKVZZCQYMJEEQ-UHFFFAOYSA-N -1 3 341.242 3.207 20 10 EGCDHM C[C@@H]1[C@H](C)N(Cc2cc(-c3ccccc3)ccc2[O-])CCS1(=O)=O ZINC000093559667 454721472 /nfs/dbraw/zinc/72/14/72/454721472.db2.gz ZDSGYJSRZXCRKZ-LSDHHAIUSA-N -1 3 345.464 3.067 20 10 EGCDHM CCCN(Cc1ccccc1O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163748828 454863321 /nfs/dbraw/zinc/86/33/21/454863321.db2.gz PVUWQRMKZWWZMC-UHFFFAOYSA-N -1 3 332.375 3.359 20 10 EGCDHM O=C(NC1CC1)c1cccc(CNCc2c([O-])cccc2Cl)c1 ZINC000264954509 455298533 /nfs/dbraw/zinc/29/85/33/455298533.db2.gz LWEKEQXEMYMESG-UHFFFAOYSA-N -1 3 330.815 3.228 20 10 EGCDHM C[C@@H](N[C@@H](C)c1cc(Cl)ccc1[O-])C(=O)NCc1ccccc1 ZINC000185183844 455517642 /nfs/dbraw/zinc/51/76/42/455517642.db2.gz BUROTOIIUZELCV-QWHCGFSZSA-N -1 3 332.831 3.401 20 10 EGCDHM COc1ccc([C@H](CN(C)C)NCc2cccc(Cl)c2[O-])cc1 ZINC000284900070 455759214 /nfs/dbraw/zinc/75/92/14/455759214.db2.gz FTABJYHAQQVSNE-KRWDZBQOSA-N -1 3 334.847 3.447 20 10 EGCDHM COc1c([O-])c(CNC(C)(C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000292899623 455766092 /nfs/dbraw/zinc/76/60/92/455766092.db2.gz ZVBRMRDYZZJUME-UHFFFAOYSA-N -1 3 334.347 3.473 20 10 EGCDHM [O-]c1cccc(CNCc2ccc(N3CCOCC3)cc2)c1Cl ZINC000293545724 455790315 /nfs/dbraw/zinc/79/03/15/455790315.db2.gz KPNUPCMFUHELTM-UHFFFAOYSA-N -1 3 332.831 3.172 20 10 EGCDHM COc1ccncc1CN[C@@H](C)c1cc(Br)ccc1[O-] ZINC000294398277 455814877 /nfs/dbraw/zinc/81/48/77/455814877.db2.gz SIRNMYTXIUOISR-JTQLQIEISA-N -1 3 337.217 3.409 20 10 EGCDHM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000186955815 455856028 /nfs/dbraw/zinc/85/60/28/455856028.db2.gz XDRJHSOXEQTZBD-GFCCVEGCSA-N -1 3 342.395 3.012 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC(C)(C)OC ZINC000279806765 455873794 /nfs/dbraw/zinc/87/37/94/455873794.db2.gz IZGQFNARBMDMCO-UHFFFAOYSA-N -1 3 344.249 3.318 20 10 EGCDHM COc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])c(C)c1OC ZINC000286253617 456009636 /nfs/dbraw/zinc/00/96/36/456009636.db2.gz UNJBFCKUQPVFLB-LBPRGKRZSA-N -1 3 346.383 3.477 20 10 EGCDHM CCC[C@@]1(CO)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000288677427 456102935 /nfs/dbraw/zinc/10/29/35/456102935.db2.gz CNEREMKVGIVVAZ-QGZVFWFLSA-N -1 3 325.836 3.233 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(OC)cc2OC)c1 ZINC000273418165 456229171 /nfs/dbraw/zinc/22/91/71/456229171.db2.gz RKZGYYIEBBMWGB-GFCCVEGCSA-N -1 3 345.395 3.047 20 10 EGCDHM COCc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000273609133 456241222 /nfs/dbraw/zinc/24/12/22/456241222.db2.gz VFJCBBAIZSTWRX-NSHDSACASA-N -1 3 334.347 3.437 20 10 EGCDHM CC(C)S(=O)(=O)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000290190397 456263446 /nfs/dbraw/zinc/26/34/46/456263446.db2.gz FXSOGCGFSQVFJT-VIFPVBQESA-N -1 3 340.272 3.173 20 10 EGCDHM O=C1[C@@H](NCc2cccc(Cl)c2[O-])CCCN1C1CCCCC1 ZINC000276774922 456576493 /nfs/dbraw/zinc/57/64/93/456576493.db2.gz OVERAFAEYMDDSM-INIZCTEOSA-N -1 3 336.863 3.459 20 10 EGCDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCn2cncc2C1 ZINC000291528587 456669861 /nfs/dbraw/zinc/66/98/61/456669861.db2.gz JXFKYERETNIVBU-UHFFFAOYSA-N -1 3 335.407 3.184 20 10 EGCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000352121075 457340208 /nfs/dbraw/zinc/34/02/08/457340208.db2.gz NEPKDZPLMVVGLT-UHFFFAOYSA-N -1 3 345.402 3.258 20 10 EGCDHM COc1cc(Cl)cc(CN2CCCC[C@@H]2c2noc(C)n2)c1[O-] ZINC000363927050 457464011 /nfs/dbraw/zinc/46/40/11/457464011.db2.gz NCVFIDJCXNGHNP-CYBMUJFWSA-N -1 3 337.807 3.473 20 10 EGCDHM COc1c([O-])c(CN2CCC=C(c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000367689398 457970144 /nfs/dbraw/zinc/97/01/44/457970144.db2.gz UZHTUWZHWYYILU-UHFFFAOYSA-N -1 3 330.340 3.191 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCCN(c2ncccc2F)CC1 ZINC000369033860 458070847 /nfs/dbraw/zinc/07/08/47/458070847.db2.gz YQBRTHALBCYFGS-UHFFFAOYSA-N -1 3 335.810 3.292 20 10 EGCDHM O=C(c1cc([O-])cs1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000738549119 574802201 /nfs/dbraw/zinc/80/22/01/574802201.db2.gz OKTVXOSHSVWAHI-LBPRGKRZSA-N -1 3 333.384 3.328 20 10 EGCDHM Cc1ccc([C@H](CNC(=O)c2cc([O-])cs2)N2CCCC2)cc1 ZINC000731872948 575214321 /nfs/dbraw/zinc/21/43/21/575214321.db2.gz UOBQKCSMCXBSFX-INIZCTEOSA-N -1 3 330.453 3.329 20 10 EGCDHM COc1ccc(-c2nc(COC(=O)c3cc([O-])cs3)co2)cc1 ZINC000731910948 575218631 /nfs/dbraw/zinc/21/86/31/575218631.db2.gz XJKGWSQFMZZFQD-UHFFFAOYSA-N -1 3 331.349 3.474 20 10 EGCDHM [O-]c1ccccc1CN(Cc1nccn1C(F)F)C[C@@H]1CCCO1 ZINC000732202567 575244310 /nfs/dbraw/zinc/24/43/10/575244310.db2.gz WZQWMHUCRWQIOE-AWEZNQCLSA-N -1 3 337.370 3.165 20 10 EGCDHM CC[C@@H](CNC(=O)c1cc([O-])cs1)N1CCc2ccccc2C1 ZINC000732268400 575250880 /nfs/dbraw/zinc/25/08/80/575250880.db2.gz FPWCCYGSXYAGPW-HNNXBMFYSA-N -1 3 330.453 3.020 20 10 EGCDHM COc1ccc(Br)c(CNC(=O)c2cc([O-])cs2)c1 ZINC000732272979 575251737 /nfs/dbraw/zinc/25/17/37/575251737.db2.gz GXCJOTFEINUYNY-UHFFFAOYSA-N -1 3 342.214 3.155 20 10 EGCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000732354530 575262049 /nfs/dbraw/zinc/26/20/49/575262049.db2.gz UGOSLBJQSAZTGV-ZOWXZIJZSA-N -1 3 339.457 3.140 20 10 EGCDHM O=C(CNCc1c([O-])cccc1Cl)Nc1cccc2cccnc21 ZINC000733327534 575328246 /nfs/dbraw/zinc/32/82/46/575328246.db2.gz UPVBJLIPSPRRHG-UHFFFAOYSA-N -1 3 341.798 3.322 20 10 EGCDHM COC(=O)c1cc2cc(COC(=O)c3cc([O-])cs3)ccc2o1 ZINC000745002714 576838252 /nfs/dbraw/zinc/83/82/52/576838252.db2.gz NSHTUQXZUROHFH-UHFFFAOYSA-N -1 3 332.333 3.344 20 10 EGCDHM Cc1ncc(CN[C@H](C)c2cc(Br)c(F)cc2[O-])o1 ZINC000840794028 1321149794 /nfs/dbraw/zinc/14/97/94/1321149794.db2.gz BVCLOOYQKFWYQL-SSDOTTSWSA-N -1 3 329.169 3.441 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000832116719 1292957984 /nfs/dbraw/zinc/95/79/84/1292957984.db2.gz LMMFCVRDQJIWSD-GOSISDBHSA-N -1 3 347.361 3.447 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(CCO)Cc2ccc(C)cc2)c1[O-] ZINC000181977993 1295011259 /nfs/dbraw/zinc/01/12/59/1295011259.db2.gz XZOSQNLVMRVHTO-UHFFFAOYSA-N -1 3 331.387 3.037 20 10 EGCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000193464302 1295872769 /nfs/dbraw/zinc/87/27/69/1295872769.db2.gz KMGCCVFUFDLRGC-UHFFFAOYSA-N -1 3 335.278 3.351 20 10 EGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@]2(CCOC2)C1 ZINC000708216462 1298238288 /nfs/dbraw/zinc/23/82/88/1298238288.db2.gz UOVLRJMOBZKLHM-CQSZACIVSA-N -1 3 346.652 3.421 20 10 EGCDHM Cc1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)c([O-])c1O ZINC000751533653 1299564321 /nfs/dbraw/zinc/56/43/21/1299564321.db2.gz PFPRSEQRMZPMTH-UHFFFAOYSA-N -1 3 337.335 3.241 20 10 EGCDHM CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000751536235 1299565008 /nfs/dbraw/zinc/56/50/08/1299565008.db2.gz XHCDRSWQTTXOAY-UHFFFAOYSA-N -1 3 344.367 3.251 20 10 EGCDHM C[C@H](NCc1nncn1-c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756402607 1300484200 /nfs/dbraw/zinc/48/42/00/1300484200.db2.gz MDLIFTIOEPKUIM-NSHDSACASA-N -1 3 330.338 3.102 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccnc2OC(C)C)c1 ZINC000756419221 1300486875 /nfs/dbraw/zinc/48/68/75/1300486875.db2.gz DOIQHRXJSOSYKX-CYBMUJFWSA-N -1 3 344.411 3.212 20 10 EGCDHM CCc1cc(CN[C@H](C)c2cc(Br)cc(F)c2[O-])[nH]n1 ZINC000756574820 1300525162 /nfs/dbraw/zinc/52/51/62/1300525162.db2.gz QSLLDKUKGGJKJP-MRVPVSSYSA-N -1 3 342.212 3.430 20 10 EGCDHM Cc1nnc(CN[C@@H](C)c2cc(Br)ccc2[O-])s1 ZINC000757639826 1300701526 /nfs/dbraw/zinc/70/15/26/1300701526.db2.gz UXUCZKGCLXGJFR-ZETCQYMHSA-N -1 3 328.235 3.165 20 10 EGCDHM C[C@H](NCc1nn(C)c2ccccc12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000760895846 1301358939 /nfs/dbraw/zinc/35/89/39/1301358939.db2.gz BMPAJPNSNZCVCB-NSHDSACASA-N -1 3 326.356 3.038 20 10 EGCDHM [O-]c1c(Br)cccc1CN1CCOCC2(CCC2)C1 ZINC000761226546 1301424725 /nfs/dbraw/zinc/42/47/25/1301424725.db2.gz RGPRCNYOFKBJJL-UHFFFAOYSA-N -1 3 326.234 3.157 20 10 EGCDHM [O-]c1c(Br)cccc1CNc1nccc(N2CCCC2)n1 ZINC000764935380 1302171655 /nfs/dbraw/zinc/17/16/55/1302171655.db2.gz SKASMJRNLBTBAY-UHFFFAOYSA-N -1 3 349.232 3.157 20 10 EGCDHM Cc1ccc(CNCc2cc(F)cc(F)c2[O-])c(N2CCCC2)n1 ZINC000883085312 1302240075 /nfs/dbraw/zinc/24/00/75/1302240075.db2.gz OCPNPQZGNISIEK-UHFFFAOYSA-N -1 3 333.382 3.264 20 10 EGCDHM CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1c([O-])cccc1F ZINC000886515367 1303483497 /nfs/dbraw/zinc/48/34/97/1303483497.db2.gz ACDAQPFFASCILD-AWEZNQCLSA-N -1 3 330.403 3.231 20 10 EGCDHM C[C@@H](NCc1ccncc1OC[C@H]1CCOC1)c1c([O-])cccc1F ZINC000886611226 1303523135 /nfs/dbraw/zinc/52/31/35/1303523135.db2.gz WUJNXUVIMIJTPV-KGLIPLIRSA-N -1 3 346.402 3.192 20 10 EGCDHM C[C@H](NCc1ccnc(N(C)C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774272186 1303792895 /nfs/dbraw/zinc/79/28/95/1303792895.db2.gz NWWPUXCHTRVERB-VIFPVBQESA-N -1 3 341.242 3.406 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CCN(CCc2ccccc2)CC1 ZINC000775644426 1304002108 /nfs/dbraw/zinc/00/21/08/1304002108.db2.gz GKADQVJBHMBJCK-UHFFFAOYSA-N -1 3 330.859 3.406 20 10 EGCDHM CC(C)N(C)C(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775655640 1304007153 /nfs/dbraw/zinc/00/71/53/1304007153.db2.gz JHYMZIQQDGNUAK-UHFFFAOYSA-N -1 3 342.842 3.264 20 10 EGCDHM CCOc1ccc([C@H](C)NC(=O)c2cccc(O)c2[O-])cc1OCC ZINC000776331521 1304135894 /nfs/dbraw/zinc/13/58/94/1304135894.db2.gz YCKUNOAPWVVGCM-LBPRGKRZSA-N -1 3 345.395 3.386 20 10 EGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777440462 1304297407 /nfs/dbraw/zinc/29/74/07/1304297407.db2.gz WYSIAJFSYOUWFI-KRWDZBQOSA-N -1 3 339.769 3.417 20 10 EGCDHM CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1cc(F)ccc1[O-] ZINC000779013923 1304518376 /nfs/dbraw/zinc/51/83/76/1304518376.db2.gz NNBICWXICAFYOX-QGZVFWFLSA-N -1 3 331.387 3.138 20 10 EGCDHM Cc1ccc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)c([O-])c1O ZINC000780862752 1304745764 /nfs/dbraw/zinc/74/57/64/1304745764.db2.gz LMCBDBPRNPKREZ-UHFFFAOYSA-N -1 3 343.383 3.188 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000790874394 1308877674 /nfs/dbraw/zinc/87/76/74/1308877674.db2.gz QTKYIYQYZNTPAN-HNNXBMFYSA-N -1 3 329.371 3.474 20 10 EGCDHM C[C@H]1C[C@@H](NCc2c([O-])ccc(Cl)c2F)C(=O)N1c1ccccc1 ZINC000790974860 1308901779 /nfs/dbraw/zinc/90/17/79/1308901779.db2.gz XUPHTDDKVRCRDM-XHDPSFHLSA-N -1 3 348.805 3.468 20 10 EGCDHM CC1(CO)CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000894469799 1308906382 /nfs/dbraw/zinc/90/63/82/1308906382.db2.gz QBLJIONQVQVHEC-UHFFFAOYSA-N -1 3 348.668 3.403 20 10 EGCDHM NC(=O)c1ccc(CN(Cc2c([O-])ccc(Cl)c2F)C2CC2)cc1 ZINC000792163369 1309133586 /nfs/dbraw/zinc/13/35/86/1309133586.db2.gz XNCIATINKGVJLO-UHFFFAOYSA-N -1 3 348.805 3.448 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000792174518 1309136538 /nfs/dbraw/zinc/13/65/38/1309136538.db2.gz URUIHWTWADDFCK-QGZVFWFLSA-N -1 3 339.769 3.417 20 10 EGCDHM Cc1cc(Br)c([O-])c(CNCc2nn(C)cc2Cl)c1 ZINC000824758141 1320282986 /nfs/dbraw/zinc/28/29/86/1320282986.db2.gz LLNMBGPRHOMXSF-UHFFFAOYSA-N -1 3 344.640 3.140 20 10 EGCDHM CCc1nnc(CN[C@@H](C)c2cc(Br)ccc2[O-])s1 ZINC000810260337 1317989315 /nfs/dbraw/zinc/98/93/15/1317989315.db2.gz ISOFIUFPKTWKAH-QMMMGPOBSA-N -1 3 342.262 3.419 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCc2ccccc2[C@@H]1CO ZINC000824819278 1320288619 /nfs/dbraw/zinc/28/86/19/1320288619.db2.gz NETDNFSEZYZOQD-INIZCTEOSA-N -1 3 348.240 3.246 20 10 EGCDHM CCOC(=O)CN(Cc1ccc(Br)cc1[O-])C1CCC1 ZINC000825530052 1320345478 /nfs/dbraw/zinc/34/54/78/1320345478.db2.gz JFAWRPZHWNBUMQ-UHFFFAOYSA-N -1 3 342.233 3.072 20 10 EGCDHM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cccc(O)c3[O-])C2)c1 ZINC000837139444 1320577001 /nfs/dbraw/zinc/57/70/01/1320577001.db2.gz PHXPIMSJHLAWIO-HDJSIYSDSA-N -1 3 327.380 3.125 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000839857223 1320987906 /nfs/dbraw/zinc/98/79/06/1320987906.db2.gz NKKOOXBBYQSKED-GOSISDBHSA-N -1 3 339.391 3.092 20 10 EGCDHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(OC)c(C)c2)c1 ZINC000841796515 1321313862 /nfs/dbraw/zinc/31/38/62/1321313862.db2.gz PNDPIYQQXHOTIO-QGZVFWFLSA-N -1 3 329.396 3.318 20 10 EGCDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1C ZINC000841796995 1321313946 /nfs/dbraw/zinc/31/39/46/1321313946.db2.gz RCKOTGBIEFRYTI-QGZVFWFLSA-N -1 3 333.359 3.067 20 10 EGCDHM CC[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1cc(Cl)ccc1[O-] ZINC000848556724 1321975284 /nfs/dbraw/zinc/97/52/84/1321975284.db2.gz CPQYGHUJDQXYKO-JSGCOSHPSA-N -1 3 336.823 3.256 20 10 EGCDHM C[C@H]1CN(Cc2c([O-])cc(Br)cc2F)CCC[C@]1(C)O ZINC001233029125 1376556828 /nfs/dbraw/zinc/55/68/28/1376556828.db2.gz ZDUJBAMYKBKEBU-BONVTDFDSA-N -1 3 346.240 3.277 20 10 EGCDHM COC[C@@H]1CCCCN1Cc1cc(Br)c(F)cc1[O-] ZINC001144299021 1378712824 /nfs/dbraw/zinc/71/28/24/1378712824.db2.gz OWOXZCCELNIULU-NSHDSACASA-N -1 3 332.213 3.295 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])Nc1ccccn1 ZINC001191353137 1367482857 /nfs/dbraw/zinc/48/28/57/1367482857.db2.gz LTBXPNWTXIWJJN-UHFFFAOYSA-N -1 3 328.759 3.311 20 10 EGCDHM C[C@H]([N-]S(=O)(=O)C(Cl)(Cl)Cl)c1ccc(N(C)C)cc1 ZINC001192049036 1367674261 /nfs/dbraw/zinc/67/42/61/1367674261.db2.gz FDEYKXJCUZOHPD-QMMMGPOBSA-N -1 3 345.679 3.061 20 10 EGCDHM COc1cc([N-]C(=O)c2csc(-c3ccc(N(C)C)cc3)n2)no1 ZINC001193163866 1367957226 /nfs/dbraw/zinc/95/72/26/1367957226.db2.gz GXDYAKXUCJLMNS-UHFFFAOYSA-N -1 3 344.396 3.125 20 10 EGCDHM COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203582062 1370179021 /nfs/dbraw/zinc/17/90/21/1370179021.db2.gz OZPWGXMVRHBRHY-CWSCBRNRSA-N -1 3 344.238 3.473 20 10 EGCDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H]1F ZINC001203648884 1370200143 /nfs/dbraw/zinc/20/01/43/1370200143.db2.gz YNHNRQMDCNMFTN-STQMWFEESA-N -1 3 344.814 3.093 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2Cc3ccc(O)cc3C3(CC3)C2)c1[O-] ZINC001117660758 1371059236 /nfs/dbraw/zinc/05/92/36/1371059236.db2.gz CFHMSZZQLKLQEX-UHFFFAOYSA-N -1 3 341.382 3.487 20 10 EGCDHM CC[C@H](COc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O)OC ZINC001229542765 1375853080 /nfs/dbraw/zinc/85/30/80/1375853080.db2.gz OXIKLHMKUHEOGJ-GFCCVEGCSA-N -1 3 340.375 3.280 20 10 EGCDHM Cc1cc(OC[C@H]2CCCO2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542505 1375853339 /nfs/dbraw/zinc/85/33/39/1375853339.db2.gz NTXRANHMFCDQBN-GFCCVEGCSA-N -1 3 338.359 3.034 20 10 EGCDHM CCN(CCN(C)C(=O)OC(C)(C)C)Cc1c([O-])ccc(F)c1F ZINC001233335595 1376618689 /nfs/dbraw/zinc/61/86/89/1376618689.db2.gz CNMBTEFAKGRXQY-UHFFFAOYSA-N -1 3 344.402 3.359 20 10 EGCDHM Cc1ccnc(O[C@H]2CCCN(Cc3c([O-])ccc(F)c3F)C2)c1 ZINC001233336634 1376621152 /nfs/dbraw/zinc/62/11/52/1376621152.db2.gz UAHURKDGKDPDLE-ZDUSSCGKSA-N -1 3 334.366 3.417 20 10 EGCDHM O=c1[nH]c2ccccc2n1C1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137832826 1377623843 /nfs/dbraw/zinc/62/38/43/1377623843.db2.gz JJVQNCVFQVJZQH-UHFFFAOYSA-N -1 3 341.386 3.424 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139682946 1377933850 /nfs/dbraw/zinc/93/38/50/1377933850.db2.gz FXDUOAYEDRTREG-NSHDSACASA-N -1 3 342.386 3.017 20 10 EGCDHM O=C1CN(Cc2c([O-])cccc2Cl)CCN1c1ccc(F)cc1 ZINC001140341790 1378049873 /nfs/dbraw/zinc/04/98/73/1378049873.db2.gz HSKRSKXXLAGDGN-UHFFFAOYSA-N -1 3 334.778 3.034 20 10 EGCDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN1Cc1c([O-])cccc1Cl ZINC001140341737 1378050030 /nfs/dbraw/zinc/05/00/30/1378050030.db2.gz FPNRSOMYQZQFHS-AWEZNQCLSA-N -1 3 326.824 3.444 20 10 EGCDHM COC(=O)c1ccc2c(c1)CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001140466447 1378069091 /nfs/dbraw/zinc/06/90/91/1378069091.db2.gz GACLTSMNPQYZDA-UHFFFAOYSA-N -1 3 331.799 3.391 20 10 EGCDHM COCC[C@@H]1CO[C@]2(C1)CCCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140581164 1378089324 /nfs/dbraw/zinc/08/93/24/1378089324.db2.gz RDSSAHOUJNWEOH-UGSOOPFHSA-N -1 3 341.398 3.078 20 10 EGCDHM C[C@H]1OC2(CCN(C(=O)c3cccc(O)c3[O-])CC2)c2ccccc21 ZINC001148218472 1379134645 /nfs/dbraw/zinc/13/46/45/1379134645.db2.gz DVRBWCMNLHNJJP-CYBMUJFWSA-N -1 3 339.391 3.321 20 10 EGCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@H]1c1ccc(F)cc1F ZINC001148588563 1379218121 /nfs/dbraw/zinc/21/81/21/1379218121.db2.gz UEULCKXIYOPZCU-ZDUSSCGKSA-N -1 3 335.306 3.059 20 10 EGCDHM CCOc1cncc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157724657 1381015588 /nfs/dbraw/zinc/01/55/88/1381015588.db2.gz RJTUOTMHUFNGPU-UHFFFAOYSA-N -1 3 330.775 3.395 20 10 EGCDHM COC(=O)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168528367 1383930165 /nfs/dbraw/zinc/93/01/65/1383930165.db2.gz UOBOLILXRKUFFP-UHFFFAOYSA-N -1 3 343.770 3.388 20 10 EGCDHM CCN(C)c1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncn1 ZINC001168527383 1383930489 /nfs/dbraw/zinc/93/04/89/1383930489.db2.gz FOUGVAGBLDSKOA-UHFFFAOYSA-N -1 3 343.818 3.452 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CC12CCOCC2 ZINC001179317439 1386449978 /nfs/dbraw/zinc/44/99/78/1386449978.db2.gz ORQDKOKJRKSMJN-ZDUSSCGKSA-N -1 3 346.814 3.027 20 10 EGCDHM C[C@H](NCc1cc(OCC(F)F)ccn1)c1c([O-])cccc1F ZINC001334031203 1390463486 /nfs/dbraw/zinc/46/34/86/1390463486.db2.gz DBEJEKUXSHUSNP-JTQLQIEISA-N -1 3 326.318 3.421 20 10 EGCDHM O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000325694540 971236926 /nfs/dbraw/zinc/23/69/26/971236926.db2.gz PKIPPWBAKNZKQG-INIZCTEOSA-N -1 3 339.313 3.384 20 10 EGCDHM O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000325694540 971236931 /nfs/dbraw/zinc/23/69/31/971236931.db2.gz PKIPPWBAKNZKQG-INIZCTEOSA-N -1 3 339.313 3.384 20 10 EGCDHM COc1ccc(N(C)CCN(C)Cc2ccc(C(=O)[O-])s2)cc1 ZINC000903690960 956872276 /nfs/dbraw/zinc/87/22/76/956872276.db2.gz YWUYQANUADSHFU-UHFFFAOYSA-N -1 3 334.441 3.023 20 10 EGCDHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC001592275056 977552500 /nfs/dbraw/zinc/55/25/00/977552500.db2.gz ZLVYIMGLMWOZKG-STQMWFEESA-N -1 3 342.395 3.158 20 10 EGCDHM C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592459019 978175904 /nfs/dbraw/zinc/17/59/04/978175904.db2.gz IMRWHJVKCSOADG-VBHSOAQHSA-N -1 3 329.396 3.253 20 10 EGCDHM CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])C12CCCC2 ZINC001596833376 985469019 /nfs/dbraw/zinc/46/90/19/985469019.db2.gz NFAQBTOJFSVGLG-OAUYIBNBSA-N -1 3 333.428 3.479 20 10 EGCDHM CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](C)c3cc(C(=O)[O-])ccc3[O-])C2)n1 ZINC001597748699 989135584 /nfs/dbraw/zinc/13/55/84/989135584.db2.gz PUZHYZDBIMWKCG-LOWVWBTDSA-N -1 3 345.399 3.023 20 10 EGCDHM COc1ccc(N(C)CCN(C)Cc2csc(C(=O)[O-])c2)cc1 ZINC001599583961 993587686 /nfs/dbraw/zinc/58/76/86/993587686.db2.gz KLTBBHFPIPLNKD-UHFFFAOYSA-N -1 3 334.441 3.023 20 10 EGCDHM C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593232710 994387748 /nfs/dbraw/zinc/38/77/48/994387748.db2.gz PBLAZSOFFBGWQI-AWEZNQCLSA-N -1 3 340.423 3.410 20 10 EGCDHM C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246574 994454256 /nfs/dbraw/zinc/45/42/56/994454256.db2.gz AOCNZDUTILDLFW-ACJLOTCBSA-N -1 3 341.407 3.255 20 10 EGCDHM C[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257443 994528800 /nfs/dbraw/zinc/52/88/00/994528800.db2.gz NRXMXJOVWKIWIV-WMLDXEAASA-N -1 3 340.423 3.016 20 10 EGCDHM C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257571 994531178 /nfs/dbraw/zinc/53/11/78/994531178.db2.gz QEKJCLUZEKGAMS-OCCSQVGLSA-N -1 3 327.380 3.307 20 10 EGCDHM COc1ccc([C@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])cc1Cl ZINC001599530630 997645460 /nfs/dbraw/zinc/64/54/60/997645460.db2.gz DOBQFKUQCXIDSO-HNNXBMFYSA-N -1 3 339.750 3.109 20 10 EGCDHM COc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c(C)c1OC ZINC001599570988 998365438 /nfs/dbraw/zinc/36/54/38/998365438.db2.gz GLTUVURVSBGRPO-GFCCVEGCSA-N -1 3 345.395 3.267 20 10 EGCDHM [O-]c1ccc(F)cc1CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000190026796 455273548 /nfs/dbraw/zinc/27/35/48/455273548.db2.gz LJOICJVDUHKSBF-UHFFFAOYSA-N -1 3 337.341 3.293 20 10 EGCDHM CC(C)N(C(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1)C(C)C ZINC000070976191 454191163 /nfs/dbraw/zinc/19/11/63/454191163.db2.gz ROPNMEPDDKNRLK-GOSISDBHSA-N -1 3 348.487 3.019 20 10 EGCDHM O=C(CC1CCN(Cc2cc(Cl)ccc2[O-])CC1)N1CCCC1 ZINC000092056182 454510998 /nfs/dbraw/zinc/51/09/98/454510998.db2.gz CSMNNISQHOBJIF-UHFFFAOYSA-N -1 3 336.863 3.270 20 10 EGCDHM CCCOc1ccc(CN2CCO[C@H](c3nccs3)C2)c([O-])c1 ZINC000092831784 454642956 /nfs/dbraw/zinc/64/29/56/454642956.db2.gz SKFCAEPSJIHPBM-INIZCTEOSA-N -1 3 334.441 3.211 20 10 EGCDHM CS(=O)(=O)CCN(Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000093816434 454737951 /nfs/dbraw/zinc/73/79/51/454737951.db2.gz MCUIRUDOVAIKPB-UHFFFAOYSA-N -1 3 345.464 3.068 20 10 EGCDHM CCOC[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177172412 454832409 /nfs/dbraw/zinc/83/24/09/454832409.db2.gz XUPIASMJPMUBNE-ZDUSSCGKSA-N -1 3 325.836 3.497 20 10 EGCDHM CCOc1ccc2c(c1)[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])CCO2 ZINC000178412708 454953580 /nfs/dbraw/zinc/95/35/80/454953580.db2.gz DIJCVAIGNMDOFK-INIZCTEOSA-N -1 3 344.367 3.313 20 10 EGCDHM COc1cc(CN[C@H](C)c2ccc(F)cc2[O-])cc(OC)c1OC ZINC000170788971 454977881 /nfs/dbraw/zinc/97/78/81/454977881.db2.gz VQMNQRPBFFIVOX-LLVKDONJSA-N -1 3 335.375 3.408 20 10 EGCDHM C[C@H](NCC(=O)N(C)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185079087 455498248 /nfs/dbraw/zinc/49/82/48/455498248.db2.gz PPVYBUSNXUFKRP-ZDUSSCGKSA-N -1 3 332.831 3.355 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2ccc([S@](C)=O)cc2)c1[O-] ZINC000175812419 455500101 /nfs/dbraw/zinc/50/01/01/455500101.db2.gz MDWLHHLTKXRCGN-DEOSSOPVSA-N -1 3 349.427 3.103 20 10 EGCDHM Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)c([O-])c1O ZINC000179447293 455048501 /nfs/dbraw/zinc/04/85/01/455048501.db2.gz DHNPOQLIHOLOKP-SFHVURJKSA-N -1 3 348.402 3.453 20 10 EGCDHM CC(C)n1ccc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000172014964 455108837 /nfs/dbraw/zinc/10/88/37/455108837.db2.gz VVIFFZFJFCAZEQ-SFHVURJKSA-N -1 3 329.444 3.351 20 10 EGCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)c([O-])c1O ZINC000158545694 455311707 /nfs/dbraw/zinc/31/17/07/455311707.db2.gz WPWNGXZAHOBFMS-HOCLYGCPSA-N -1 3 327.380 3.056 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCCN(c2nccs2)CC1 ZINC000191272627 455473940 /nfs/dbraw/zinc/47/39/40/455473940.db2.gz DOTSDHWDHVOAKA-UHFFFAOYSA-N -1 3 341.839 3.354 20 10 EGCDHM O=C1CCCCN1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191415177 455483696 /nfs/dbraw/zinc/48/36/96/455483696.db2.gz YCNKOOPEYYZISG-UHFFFAOYSA-N -1 3 340.826 3.162 20 10 EGCDHM COc1cc(Cl)cc(CN[C@@H](C)C(=O)OC2CCCC2)c1[O-] ZINC000192006725 455541150 /nfs/dbraw/zinc/54/11/50/455541150.db2.gz UUJGFZUMXSKKSL-JTQLQIEISA-N -1 3 327.808 3.018 20 10 EGCDHM C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CC[S@@](=O)C1 ZINC000277569233 455601840 /nfs/dbraw/zinc/60/18/40/455601840.db2.gz SMLLWYOSWKZCJL-IQMFZBJNSA-N -1 3 329.465 3.260 20 10 EGCDHM C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000186195553 455714531 /nfs/dbraw/zinc/71/45/31/455714531.db2.gz OCUASCBSOQCXIN-RDTXWAMCSA-N -1 3 342.414 3.373 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CC1(F)F ZINC000295275464 455844365 /nfs/dbraw/zinc/84/43/65/455844365.db2.gz LTYMRPAOYSBBQZ-JTQLQIEISA-N -1 3 334.160 3.158 20 10 EGCDHM COc1c([O-])c(CN[C@H](C)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000278935125 455853598 /nfs/dbraw/zinc/85/35/98/455853598.db2.gz WVQBGVABIQEBMA-SECBINFHSA-N -1 3 338.310 3.438 20 10 EGCDHM CC[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287764479 456077474 /nfs/dbraw/zinc/07/74/74/456077474.db2.gz RDLGGPKIHKRNOP-UONOGXRCSA-N -1 3 344.242 3.207 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(CCCO)CC2)c1[O-] ZINC000272953444 456122857 /nfs/dbraw/zinc/12/28/57/456122857.db2.gz MTUKPGGSKLSVES-UHFFFAOYSA-N -1 3 325.836 3.233 20 10 EGCDHM O=C(CC1CCN(Cc2c([O-])cccc2Cl)CC1)N1CCCC1 ZINC000271143542 456139630 /nfs/dbraw/zinc/13/96/30/456139630.db2.gz WSPNLAIYXKEQCS-UHFFFAOYSA-N -1 3 336.863 3.270 20 10 EGCDHM Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c([O-])c1C ZINC000271215768 456178137 /nfs/dbraw/zinc/17/81/37/456178137.db2.gz BDFQBMZOOLFKGN-UHFFFAOYSA-N -1 3 326.396 3.114 20 10 EGCDHM CCc1nnc([C@@H](C)N[C@@H](C)c2ccc(Br)cc2[O-])[nH]1 ZINC000273490580 456234710 /nfs/dbraw/zinc/23/47/10/456234710.db2.gz OEQJLYSZMQBQLJ-DTWKUNHWSA-N -1 3 339.237 3.247 20 10 EGCDHM COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CCO2 ZINC000274392123 456257989 /nfs/dbraw/zinc/25/79/89/456257989.db2.gz OMCUDQBIIWILRX-ZBEGNZNMSA-N -1 3 344.367 3.483 20 10 EGCDHM COc1ccc(C[C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000366156353 457796208 /nfs/dbraw/zinc/79/62/08/457796208.db2.gz JFWVWYUTSMADLR-OAHLLOKOSA-N -1 3 341.407 3.201 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCC([C@@H]2CCOC2)CC1 ZINC000373253680 458444212 /nfs/dbraw/zinc/44/42/12/458444212.db2.gz VVMGLDQOYKNZLD-CYBMUJFWSA-N -1 3 340.261 3.403 20 10 EGCDHM CC[C@H](N[C@H](C)c1nncn1C)c1cc(Br)ccc1[O-] ZINC000037017381 522746202 /nfs/dbraw/zinc/74/62/02/522746202.db2.gz IJTPXQGYCQUZBO-SKDRFNHKSA-N -1 3 339.237 3.085 20 10 EGCDHM Cc1ccc([C@@H](C)NC(=O)CN(C)Cc2ccccc2[O-])cc1C ZINC000731843421 575211882 /nfs/dbraw/zinc/21/18/82/575211882.db2.gz FDUOLXSYZXFATQ-MRXNPFEDSA-N -1 3 326.440 3.318 20 10 EGCDHM O=C(NCCOc1cccc(Br)c1)c1cc([O-])cs1 ZINC000731870282 575213650 /nfs/dbraw/zinc/21/36/50/575213650.db2.gz KTLBFTVJAQXVBJ-UHFFFAOYSA-N -1 3 342.214 3.025 20 10 EGCDHM CN(C)c1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000736780930 576027902 /nfs/dbraw/zinc/02/79/02/576027902.db2.gz SBOVIZGCHUKABV-UHFFFAOYSA-N -1 3 328.807 3.198 20 10 EGCDHM CN(C)c1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000736780930 576027905 /nfs/dbraw/zinc/02/79/05/576027905.db2.gz SBOVIZGCHUKABV-UHFFFAOYSA-N -1 3 328.807 3.198 20 10 EGCDHM CN(C)C(=O)COc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000742379011 576776247 /nfs/dbraw/zinc/77/62/47/576776247.db2.gz IFWPBGFQZRKJAL-UHFFFAOYSA-N -1 3 334.803 3.125 20 10 EGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)c1nc(Cc2ccccc2)no1 ZINC000745002521 576838266 /nfs/dbraw/zinc/83/82/66/576838266.db2.gz LENLEKHSKJVBDN-SNVBAGLBSA-N -1 3 330.365 3.346 20 10 EGCDHM CC1=C(C(=O)[O-])C[C@@H](C[N@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000833583288 605338011 /nfs/dbraw/zinc/33/80/11/605338011.db2.gz JDLNYMRONKVCRK-INIZCTEOSA-N -1 3 331.412 3.284 20 10 EGCDHM CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](Cc2ccccc2[O-])C2CCCC2)O1 ZINC000833583288 605338018 /nfs/dbraw/zinc/33/80/18/605338018.db2.gz JDLNYMRONKVCRK-INIZCTEOSA-N -1 3 331.412 3.284 20 10 EGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000005579185 1291032035 /nfs/dbraw/zinc/03/20/35/1291032035.db2.gz JKMLLBQXKYPNLE-UHFFFAOYSA-N -1 3 342.214 3.264 20 10 EGCDHM CC(C)(C)c1nnc2n1CCN(Cc1ccc3ccccc3c1[O-])C2 ZINC000827787687 1292373245 /nfs/dbraw/zinc/37/32/45/1292373245.db2.gz OMFCAYWOWHELNK-UHFFFAOYSA-N -1 3 336.439 3.450 20 10 EGCDHM COC[C@H](NCc1cccc(Br)c1[O-])c1ccco1 ZINC000177573778 1294677091 /nfs/dbraw/zinc/67/70/91/1294677091.db2.gz YHBHRQVULPNMKZ-LBPRGKRZSA-N -1 3 326.190 3.225 20 10 EGCDHM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000187154548 1295370445 /nfs/dbraw/zinc/37/04/45/1295370445.db2.gz YVYYARHFKSPXSW-HNAYVOBHSA-N -1 3 341.407 3.304 20 10 EGCDHM CCc1cnc(CNCc2cccc(Br)c2[O-])s1 ZINC000230706677 1296165873 /nfs/dbraw/zinc/16/58/73/1296165873.db2.gz HMHUWUIGXGPGKM-UHFFFAOYSA-N -1 3 327.247 3.463 20 10 EGCDHM COC[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708139199 1298238012 /nfs/dbraw/zinc/23/80/12/1298238012.db2.gz FZYULCJLPXIYEV-VIFPVBQESA-N -1 3 334.641 3.276 20 10 EGCDHM CO[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])[C@H](C)C1 ZINC000715739946 1298286610 /nfs/dbraw/zinc/28/66/10/1298286610.db2.gz XSXHDAGYGKIGIN-BXKDBHETSA-N -1 3 332.213 3.293 20 10 EGCDHM CC1CCN(c2ccc(C[N-]C(=O)C(F)(F)C(F)F)cc2)CC1 ZINC000749386383 1299205650 /nfs/dbraw/zinc/20/56/50/1299205650.db2.gz RWLBYUHHQNUISG-UHFFFAOYSA-N -1 3 332.341 3.440 20 10 EGCDHM C[C@@H](NCc1cn(-c2ccccc2)nn1)c1cc(F)cc(F)c1[O-] ZINC000756741515 1300557939 /nfs/dbraw/zinc/55/79/39/1300557939.db2.gz GCZAZXDNVMODBK-LLVKDONJSA-N -1 3 330.338 3.102 20 10 EGCDHM CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc([O-])cc2F)cc1 ZINC000758168532 1300797446 /nfs/dbraw/zinc/79/74/46/1300797446.db2.gz BPMGORBURUYFOY-UHFFFAOYSA-N -1 3 337.372 3.171 20 10 EGCDHM COCCN(Cc1ccc2c(c1)OCO2)Cc1c([O-])cccc1Cl ZINC000769398782 1303106078 /nfs/dbraw/zinc/10/60/78/1303106078.db2.gz CDXSESDBJIWQGB-UHFFFAOYSA-N -1 3 349.814 3.423 20 10 EGCDHM COc1cc2c(cc1O)CCN(Cc1cc(F)cc(C(C)=O)c1[O-])C2 ZINC000887105089 1303677721 /nfs/dbraw/zinc/67/77/21/1303677721.db2.gz GPKQKULOPAIKFQ-UHFFFAOYSA-N -1 3 345.370 3.006 20 10 EGCDHM COc1c([O-])c(CN2Cc3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774909447 1303876037 /nfs/dbraw/zinc/87/60/37/1303876037.db2.gz QCBRHBHVPJGSLI-LBPRGKRZSA-N -1 3 328.368 3.256 20 10 EGCDHM CCC(=O)Nc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000774935035 1303880594 /nfs/dbraw/zinc/88/05/94/1303880594.db2.gz MCHDEWWMTVJHBB-UHFFFAOYSA-N -1 3 345.355 3.270 20 10 EGCDHM COc1c([O-])c(CNCc2ccc([C@H]3C[C@@H]3C)o2)ccc1[N+](=O)[O-] ZINC000774974972 1303884956 /nfs/dbraw/zinc/88/49/56/1303884956.db2.gz GPTQVDHYDYELKS-GWCFXTLKSA-N -1 3 332.356 3.315 20 10 EGCDHM COc1c([O-])c(CNc2ccc3ncccc3c2)ccc1[N+](=O)[O-] ZINC000775050186 1303895026 /nfs/dbraw/zinc/89/50/26/1303895026.db2.gz FCDFMEFMSNRSSQ-UHFFFAOYSA-N -1 3 325.324 3.469 20 10 EGCDHM O=[N+]([O-])c1ccc2[nH]c(CNCc3cccc(Cl)c3[O-])nc2c1 ZINC000775178360 1303920274 /nfs/dbraw/zinc/92/02/74/1303920274.db2.gz ITGHGHUDGXZZFS-UHFFFAOYSA-N -1 3 332.747 3.120 20 10 EGCDHM COc1ccccc1CN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000775675757 1304012646 /nfs/dbraw/zinc/01/26/46/1304012646.db2.gz BKTKOAZIRNFLBC-UHFFFAOYSA-N -1 3 346.858 3.372 20 10 EGCDHM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000888896557 1304317296 /nfs/dbraw/zinc/31/72/96/1304317296.db2.gz PCOLTEXJKROYOZ-FHSNZYRGSA-N -1 3 327.380 3.089 20 10 EGCDHM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cccc(O)c1[O-] ZINC000788673533 1305993865 /nfs/dbraw/zinc/99/38/65/1305993865.db2.gz UCPABKNOCKKCST-SNVBAGLBSA-N -1 3 339.313 3.478 20 10 EGCDHM CN(Cc1ccc([S@](C)=O)cc1)Cc1cc(F)cc(F)c1[O-] ZINC000894061793 1306197183 /nfs/dbraw/zinc/19/71/83/1306197183.db2.gz LJZSPNFHVFYRBG-QFIPXVFZSA-N -1 3 325.380 3.040 20 10 EGCDHM CCNC(=O)Nc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000790128927 1306265771 /nfs/dbraw/zinc/26/57/71/1306265771.db2.gz KRSZTTDYEWHOIK-UHFFFAOYSA-N -1 3 343.383 3.108 20 10 EGCDHM O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(O)c1[O-] ZINC000790577462 1306356684 /nfs/dbraw/zinc/35/66/84/1306356684.db2.gz VUJDIDVJTXTSTM-LBPRGKRZSA-N -1 3 346.814 3.008 20 10 EGCDHM CC1CCN(c2ccc(CNC(=O)c3cccc(O)c3[O-])cc2)CC1 ZINC000790669338 1306371181 /nfs/dbraw/zinc/37/11/81/1306371181.db2.gz RPHSSWPPSHHJIS-UHFFFAOYSA-N -1 3 340.423 3.264 20 10 EGCDHM Cc1cc(C)cc(-c2nnc(NC(=O)c3cccc(O)c3[O-])s2)c1 ZINC000790722836 1308856244 /nfs/dbraw/zinc/85/62/44/1308856244.db2.gz YUUHZXOQMXBZDI-UHFFFAOYSA-N -1 3 341.392 3.485 20 10 EGCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C2CC2)O1 ZINC000793213747 1309318281 /nfs/dbraw/zinc/31/82/81/1309318281.db2.gz FZJVMUIDBXQKOJ-MEBBXXQBSA-N -1 3 326.234 3.154 20 10 EGCDHM CNC(=O)COc1ccc(NCc2c([O-])cccc2Cl)c(C)c1 ZINC000793401090 1309364642 /nfs/dbraw/zinc/36/46/42/1309364642.db2.gz CQWCDRRYPKICRP-UHFFFAOYSA-N -1 3 334.803 3.091 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](CO)Cc3ccccc32)c1[O-] ZINC000794579925 1309550623 /nfs/dbraw/zinc/55/06/23/1309550623.db2.gz PXMYUGROARSWPB-ZDUSSCGKSA-N -1 3 345.826 3.419 20 10 EGCDHM Cc1ccc(C(=O)Nc2c[nH]nc2-c2ccccc2F)c([O-])c1O ZINC000801281791 1310900337 /nfs/dbraw/zinc/90/03/37/1310900337.db2.gz XJTFZBXHQDUYNH-UHFFFAOYSA-N -1 3 327.315 3.188 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCc2ccc(O)cc2C1 ZINC000824591997 1320268563 /nfs/dbraw/zinc/26/85/63/1320268563.db2.gz BWKXMHQQTVEJCN-UHFFFAOYSA-N -1 3 334.213 3.419 20 10 EGCDHM COc1c([O-])c(CN2CCC[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000809728804 1317880552 /nfs/dbraw/zinc/88/05/52/1317880552.db2.gz IIMNLIOBWGXMAL-CQSZACIVSA-N -1 3 329.356 3.041 20 10 EGCDHM COc1c([O-])c(CN2CCCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000811508569 1318187756 /nfs/dbraw/zinc/18/77/56/1318187756.db2.gz XIPWGJRMZBXIIG-UHFFFAOYSA-N -1 3 330.340 3.098 20 10 EGCDHM Cc1nnsc1CN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000813885903 1318652127 /nfs/dbraw/zinc/65/21/27/1318652127.db2.gz YBQMJOVMAXVRBN-ZCFIWIBFSA-N -1 3 346.225 3.305 20 10 EGCDHM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816515612 1319170654 /nfs/dbraw/zinc/17/06/54/1319170654.db2.gz FOSALRYRARJEMM-KBPBESRZSA-N -1 3 342.842 3.406 20 10 EGCDHM CC(=O)N(c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1)C1CC1 ZINC000819019025 1319616372 /nfs/dbraw/zinc/61/63/72/1319616372.db2.gz AITNTRMBLLLTOD-UHFFFAOYSA-N -1 3 340.379 3.174 20 10 EGCDHM [O-]c1c(F)cc(Cl)cc1CNCc1cccnc1N1CCCC1 ZINC000826899335 1320412437 /nfs/dbraw/zinc/41/24/37/1320412437.db2.gz KOYTWTJOOJSKFJ-UHFFFAOYSA-N -1 3 335.810 3.470 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2c(F)cccc2F)CC1 ZINC000837099873 1320572451 /nfs/dbraw/zinc/57/24/51/1320572451.db2.gz ZLRZWIOXUJCXHK-UHFFFAOYSA-N -1 3 347.361 3.471 20 10 EGCDHM C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1ccc2ccccc2c1[O-] ZINC000848556671 1321975504 /nfs/dbraw/zinc/97/55/04/1321975504.db2.gz CIFLLFYQZVLQIG-WBMJQRKESA-N -1 3 338.411 3.366 20 10 EGCDHM CC(C)OCCN(CCOC(C)C)Cc1c([O-])ccc(F)c1F ZINC001233334468 1376619556 /nfs/dbraw/zinc/61/95/56/1376619556.db2.gz IEOVXHDRYPSXHC-UHFFFAOYSA-N -1 3 331.403 3.322 20 10 EGCDHM O=S(=O)([N-]Cc1cc2ccccc2cc1O)c1cccnc1Cl ZINC001184899646 1387558218 /nfs/dbraw/zinc/55/82/18/1387558218.db2.gz LVRYOYNBWFQQBD-UHFFFAOYSA-N -1 3 348.811 3.072 20 10 EGCDHM O=S(=O)([N-]Cc1cc2ccccc2cc1O)c1cccc(Cl)n1 ZINC001198253330 1368990122 /nfs/dbraw/zinc/99/01/22/1368990122.db2.gz HNTSJXKHXJRIQR-UHFFFAOYSA-N -1 3 348.811 3.072 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H](O)C1CCCCC1 ZINC001187006518 1388039102 /nfs/dbraw/zinc/03/91/02/1388039102.db2.gz YVKUCVABRYFPAV-QGZVFWFLSA-N -1 3 348.830 3.151 20 10 EGCDHM COC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC001203579548 1370177213 /nfs/dbraw/zinc/17/72/13/1370177213.db2.gz ANQJKRPKYNOLRD-CABZTGNLSA-N -1 3 332.227 3.473 20 10 EGCDHM O=C(Nc1ccccc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203657678 1370205282 /nfs/dbraw/zinc/20/52/82/1370205282.db2.gz MDPIYXZBCCERPR-UHFFFAOYSA-N -1 3 345.830 3.395 20 10 EGCDHM CS(=O)(=O)N(c1ccc(N)cc1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001209985868 1372248607 /nfs/dbraw/zinc/24/86/07/1372248607.db2.gz MOQOEKFXUFNKSQ-UHFFFAOYSA-N -1 3 346.330 3.091 20 10 EGCDHM [O-]c1c(Cl)cccc1Nc1ncnn2cc(Br)cc12 ZINC001210221187 1372296771 /nfs/dbraw/zinc/29/67/71/1372296771.db2.gz WICOAQJBKWSWOE-UHFFFAOYSA-N -1 3 339.580 3.016 20 10 EGCDHM Cc1c(Br)cncc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145660 1373177966 /nfs/dbraw/zinc/17/79/66/1373177966.db2.gz AMWIVGHICYYIPK-UHFFFAOYSA-N -1 3 348.156 3.281 20 10 EGCDHM CC(C)(C)N1CC(Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937237 1375493347 /nfs/dbraw/zinc/49/33/47/1375493347.db2.gz GNEITNDJIYWGKV-UHFFFAOYSA-N -1 3 341.407 3.190 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001231910883 1376346959 /nfs/dbraw/zinc/34/69/59/1376346959.db2.gz VEZWMOSWOMDCBZ-WCQYABFASA-N -1 3 341.732 3.273 20 10 EGCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001231910881 1376347028 /nfs/dbraw/zinc/34/70/28/1376347028.db2.gz VEZWMOSWOMDCBZ-AAEUAGOBSA-N -1 3 341.732 3.273 20 10 EGCDHM COc1cc(OC2CCN(Cc3cccc(Cl)c3[O-])CC2)ccn1 ZINC001231913936 1376349806 /nfs/dbraw/zinc/34/98/06/1376349806.db2.gz UUPNYFJYJDFABM-UHFFFAOYSA-N -1 3 348.830 3.493 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3[O-])C[C@H]21 ZINC001231914785 1376352013 /nfs/dbraw/zinc/35/20/13/1376352013.db2.gz QHBNTNZRKGWDHA-TZMCWYRMSA-N -1 3 338.835 3.097 20 10 EGCDHM COc1cc([O-])c(CN2CCN(c3cccc(O)c3)CC2)cc1Cl ZINC001232268102 1376427837 /nfs/dbraw/zinc/42/78/37/1376427837.db2.gz LZNIYEXWCPVYJA-UHFFFAOYSA-N -1 3 348.830 3.082 20 10 EGCDHM Cc1cccc(O[C@@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079656 1376565204 /nfs/dbraw/zinc/56/52/04/1376565204.db2.gz IYCYIAJRWQIRRJ-CQSZACIVSA-N -1 3 334.366 3.417 20 10 EGCDHM CC(C)(C)CC(=O)NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233080235 1376567296 /nfs/dbraw/zinc/56/72/96/1376567296.db2.gz SVKNAPCZPFFLSU-UHFFFAOYSA-N -1 3 340.414 3.187 20 10 EGCDHM Cc1cccnc1OC1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336152 1376618364 /nfs/dbraw/zinc/61/83/64/1376618364.db2.gz AJJYGRGDBLUAMI-UHFFFAOYSA-N -1 3 334.366 3.417 20 10 EGCDHM CN(Cc1c(F)ccc(F)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139682777 1377933833 /nfs/dbraw/zinc/93/38/33/1377933833.db2.gz CAILCUSTXUKHRC-NSHDSACASA-N -1 3 342.386 3.112 20 10 EGCDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H]1F ZINC001140465166 1378068132 /nfs/dbraw/zinc/06/81/32/1378068132.db2.gz HRZMBQJQQJTNHP-QWHCGFSZSA-N -1 3 344.814 3.093 20 10 EGCDHM COc1ccc(N2CCN(Cc3ccccc3C(=O)[O-])CC2)c(C)c1 ZINC001140504286 1378075203 /nfs/dbraw/zinc/07/52/03/1378075203.db2.gz MXDJBTOAHCUYBY-UHFFFAOYSA-N -1 3 340.423 3.024 20 10 EGCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001144293195 1378711095 /nfs/dbraw/zinc/71/10/95/1378711095.db2.gz LYULAKMWHDQRDK-BONVTDFDSA-N -1 3 344.224 3.295 20 10 EGCDHM CO[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])[C@@H](C)C1 ZINC001144308680 1378715111 /nfs/dbraw/zinc/71/51/11/1378715111.db2.gz SVASCTDTXQMEBH-ONGXEEELSA-N -1 3 332.213 3.293 20 10 EGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])nc(C)c1Br ZINC001148212904 1379134439 /nfs/dbraw/zinc/13/44/39/1379134439.db2.gz NLINFTKYYRRIAD-UHFFFAOYSA-N -1 3 337.173 3.124 20 10 EGCDHM O=C(Nc1cn2cc(C(F)(F)F)ccc2n1)c1cccc(O)c1[O-] ZINC001148212265 1379134497 /nfs/dbraw/zinc/13/44/97/1379134497.db2.gz URPMYEAUPDKRMD-UHFFFAOYSA-N -1 3 337.257 3.017 20 10 EGCDHM O=C(NCCc1c[nH]c2cccc(Cl)c12)c1cccc(O)c1[O-] ZINC001148225027 1379135897 /nfs/dbraw/zinc/13/58/97/1379135897.db2.gz CDYBDOQYZJFSJE-UHFFFAOYSA-N -1 3 330.771 3.205 20 10 EGCDHM C[S@@](=O)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168525344 1383929816 /nfs/dbraw/zinc/92/98/16/1383929816.db2.gz BEEKOYFDODWJOK-HSZRJFAPSA-N -1 3 347.827 3.338 20 10 EGCDHM CCN(CC)c1ccc(CNCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821196599 1423650728 /nfs/dbraw/zinc/65/07/28/1423650728.db2.gz BQNZCTDJPDKZQX-UHFFFAOYSA-N -1 3 342.472 3.064 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)c1[O-] ZINC001594058622 958066067 /nfs/dbraw/zinc/06/60/67/958066067.db2.gz ADWFUTNSXQEOGY-QGZVFWFLSA-N -1 3 335.787 3.144 20 10 EGCDHM COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1[O-] ZINC001594058829 958069192 /nfs/dbraw/zinc/06/91/92/958069192.db2.gz KGVHYZSLZKYEOY-LSDHHAIUSA-N -1 3 347.798 3.457 20 10 EGCDHM CCCC[N@H+](Cc1ccccc1[O-])CC1(O)CCC(C(=O)[O-])CC1 ZINC001603647381 974005727 /nfs/dbraw/zinc/00/57/27/974005727.db2.gz KAKDJJQYIWDNNP-UHFFFAOYSA-N -1 3 335.444 3.000 20 10 EGCDHM CCCC[N@@H+](Cc1ccccc1[O-])CC1(O)CCC(C(=O)[O-])CC1 ZINC001603647381 974005738 /nfs/dbraw/zinc/00/57/38/974005738.db2.gz KAKDJJQYIWDNNP-UHFFFAOYSA-N -1 3 335.444 3.000 20 10 EGCDHM C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592459018 978175942 /nfs/dbraw/zinc/17/59/42/978175942.db2.gz IMRWHJVKCSOADG-SNUQEOBHSA-N -1 3 329.396 3.253 20 10 EGCDHM C[C@@](CCF)([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001592507414 978325951 /nfs/dbraw/zinc/32/59/51/978325951.db2.gz RZXMXALAULZTJY-IBGZPJMESA-N -1 3 347.386 3.264 20 10 EGCDHM COc1ccc(O)c([C@@H](C)NCc2ccccc2O[C@@H](C)C(=O)[O-])c1 ZINC001599598171 993776834 /nfs/dbraw/zinc/77/68/34/993776834.db2.gz HBHJMNNROIYGIA-OLZOCXBDSA-N -1 3 345.395 3.104 20 10 EGCDHM C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593196348 994153924 /nfs/dbraw/zinc/15/39/24/994153924.db2.gz HLGGEFSLDSXMHH-DINDLPBHSA-N -1 3 333.359 3.002 20 10 EGCDHM C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593262874 994558690 /nfs/dbraw/zinc/55/86/90/994558690.db2.gz YYPKAPFAPANMPW-DJJJIMSYSA-N -1 3 329.396 3.039 20 10 EGCDHM C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593262875 994559008 /nfs/dbraw/zinc/55/90/08/994559008.db2.gz YYPKAPFAPANMPW-ORAYPTAESA-N -1 3 329.396 3.039 20 10 EGCDHM COc1cc(C)c(C[NH2+][C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC001599391215 997040297 /nfs/dbraw/zinc/04/02/97/997040297.db2.gz LDIVBOHLXHKVKT-PBHICJAKSA-N -1 3 343.423 3.131 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCOC2(CCOCC2)CC1 ZINC000372129751 458202396 /nfs/dbraw/zinc/20/23/96/458202396.db2.gz ZEEGMDWQPOTGRT-UHFFFAOYSA-N -1 3 346.254 3.471 20 10 EGCDHM COc1ccc(OC)c2c1CN(Cc1cc(Cl)ccc1[O-])C[C@@H]2O ZINC000121096450 454390611 /nfs/dbraw/zinc/39/06/11/454390611.db2.gz IAQNCEKZOTWTJD-HNNXBMFYSA-N -1 3 349.814 3.112 20 10 EGCDHM CCN(Cc1cc(-c2ccccc2)ccc1[O-])[C@H](C)CS(C)(=O)=O ZINC000093390510 454710896 /nfs/dbraw/zinc/71/08/96/454710896.db2.gz QZYPFEFTRKXADG-OAHLLOKOSA-N -1 3 347.480 3.314 20 10 EGCDHM O=C1CCCCN1CC1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093532125 454719833 /nfs/dbraw/zinc/71/98/33/454719833.db2.gz VWZUWIUPNSQJCL-UHFFFAOYSA-N -1 3 336.863 3.270 20 10 EGCDHM Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCCC2)c([O-])c1O ZINC000177663694 454889246 /nfs/dbraw/zinc/88/92/46/454889246.db2.gz KLVQFOZQZBOULZ-UHFFFAOYSA-N -1 3 340.423 3.279 20 10 EGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCSC2(CCOCC2)C1 ZINC000191503754 455492421 /nfs/dbraw/zinc/49/24/21/455492421.db2.gz LHSPBZGMYZMWRI-UHFFFAOYSA-N -1 3 331.840 3.283 20 10 EGCDHM Cc1ccc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)c([O-])c1O ZINC000184030357 455348973 /nfs/dbraw/zinc/34/89/73/455348973.db2.gz TWVYCCHWIRRISK-NSHDSACASA-N -1 3 333.334 3.314 20 10 EGCDHM Cc1ccc(C(=O)N[C@@H](c2nccs2)c2ccccc2)c([O-])c1O ZINC000182381989 455501989 /nfs/dbraw/zinc/50/19/89/455501989.db2.gz IPJKIFQPVZAJJX-CQSZACIVSA-N -1 3 340.404 3.382 20 10 EGCDHM Cc1ccc([C@H]2CSCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000185674716 455593636 /nfs/dbraw/zinc/59/36/36/455593636.db2.gz QVYSPJZGNYZGIL-OAHLLOKOSA-N -1 3 329.421 3.337 20 10 EGCDHM C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CC[S@](=O)C1 ZINC000277569238 455601561 /nfs/dbraw/zinc/60/15/61/455601561.db2.gz SMLLWYOSWKZCJL-WNSKOXEYSA-N -1 3 329.465 3.260 20 10 EGCDHM Cc1ccccc1[C@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](C)CO1 ZINC000185741427 455611532 /nfs/dbraw/zinc/61/15/32/455611532.db2.gz YZAATUZJOPJYGV-SUMWQHHRSA-N -1 3 327.380 3.008 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000268311387 455647415 /nfs/dbraw/zinc/64/74/15/455647415.db2.gz XQRSWBBWYFVSOQ-DOTOQJQBSA-N -1 3 347.386 3.415 20 10 EGCDHM Cc1ccc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c([O-])c1O ZINC000185978272 455666819 /nfs/dbraw/zinc/66/68/19/455666819.db2.gz IACQNYMASJBXAK-HNNXBMFYSA-N -1 3 347.798 3.273 20 10 EGCDHM C[C@@H](NCc1nnc2n1CCCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000193286340 455751066 /nfs/dbraw/zinc/75/10/66/455751066.db2.gz OGUCMNIJHRTQFU-SECBINFHSA-N -1 3 341.242 3.478 20 10 EGCDHM CCc1nc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cs1 ZINC000278521281 455838713 /nfs/dbraw/zinc/83/87/13/455838713.db2.gz SAVXKQQKQBIISW-SECBINFHSA-N -1 3 337.401 3.179 20 10 EGCDHM COc1cc(Cl)cc(CNCc2ncc(C(F)(F)F)cn2)c1[O-] ZINC000295132322 455840074 /nfs/dbraw/zinc/84/00/74/455840074.db2.gz YPMHLNALFRYAKV-UHFFFAOYSA-N -1 3 347.724 3.153 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CC1(F)F ZINC000295275468 455844391 /nfs/dbraw/zinc/84/43/91/455844391.db2.gz LTYMRPAOYSBBQZ-SNVBAGLBSA-N -1 3 334.160 3.158 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](CSc2ccccc2)C1 ZINC000187146110 455873602 /nfs/dbraw/zinc/87/36/02/455873602.db2.gz LPTGHBOIKPGRBG-CYBMUJFWSA-N -1 3 329.421 3.352 20 10 EGCDHM CCN(Cc1ccccc1)C(=O)CN[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187672534 455937284 /nfs/dbraw/zinc/93/72/84/455937284.db2.gz YUGRYZHFCMNALW-ZDUSSCGKSA-N -1 3 348.393 3.370 20 10 EGCDHM O=[N+]([O-])c1cnc(Sc2nnc([N-]CC(F)(F)F)s2)s1 ZINC000195511778 455973825 /nfs/dbraw/zinc/97/38/25/455973825.db2.gz MXIDLZUMVVBNPW-UHFFFAOYSA-N -1 3 343.337 3.028 20 10 EGCDHM COc1cc(C)c(CN(C)C(=O)c2ccc(C)c(O)c2[O-])cc1OC ZINC000272553750 455991588 /nfs/dbraw/zinc/99/15/88/455991588.db2.gz FOCLSKHVWDWRAK-UHFFFAOYSA-N -1 3 345.395 3.004 20 10 EGCDHM CC[C@H](CO)NC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000280603518 456010874 /nfs/dbraw/zinc/01/08/74/456010874.db2.gz COVLPFOAYRNYHG-CYBMUJFWSA-N -1 3 348.830 3.158 20 10 EGCDHM Cc1ccnc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000301296867 456084802 /nfs/dbraw/zinc/08/48/02/456084802.db2.gz YCDGPPFNKATSJW-OAHLLOKOSA-N -1 3 332.835 3.221 20 10 EGCDHM COCCOc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000273359546 456225212 /nfs/dbraw/zinc/22/52/12/456225212.db2.gz DKFYMOWYOVPRJN-CYBMUJFWSA-N -1 3 345.395 3.377 20 10 EGCDHM COc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1OC ZINC000274923494 456267506 /nfs/dbraw/zinc/26/75/06/456267506.db2.gz YFXQJHYPQFJUIB-AWEZNQCLSA-N -1 3 343.379 3.092 20 10 EGCDHM COC(=O)[C@@H](NCc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000276506473 456500268 /nfs/dbraw/zinc/50/02/68/456500268.db2.gz SNZSGHOJUWPMNG-IBGZPJMESA-N -1 3 341.407 3.012 20 10 EGCDHM Cc1ccc(C(=O)N2CCCn3c(cc4ccccc43)C2)c([O-])c1O ZINC000291698306 456725873 /nfs/dbraw/zinc/72/58/73/456725873.db2.gz JVNHSRFGPVLAFU-UHFFFAOYSA-N -1 3 336.391 3.407 20 10 EGCDHM COc1ccccc1-c1noc([C@H](C)NCc2cc(F)ccc2[O-])n1 ZINC000365245398 457733132 /nfs/dbraw/zinc/73/31/32/457733132.db2.gz WCXSWNNSLKLENX-NSHDSACASA-N -1 3 343.358 3.441 20 10 EGCDHM COc1ccc2ccc([O-])c(C[N@H+](C[C@H](C)C(=O)[O-])C3CC3)c2c1 ZINC000738079790 574666781 /nfs/dbraw/zinc/66/67/81/574666781.db2.gz SELQFTZASRNWEZ-LBPRGKRZSA-N -1 3 329.396 3.239 20 10 EGCDHM COc1ccc2ccc([O-])c(C[N@@H+](C[C@H](C)C(=O)[O-])C3CC3)c2c1 ZINC000738079790 574666782 /nfs/dbraw/zinc/66/67/82/574666782.db2.gz SELQFTZASRNWEZ-LBPRGKRZSA-N -1 3 329.396 3.239 20 10 EGCDHM NC(=O)c1ccc(CN(Cc2ccco2)Cc2ccccc2[O-])cc1 ZINC000731844193 575211988 /nfs/dbraw/zinc/21/19/88/575211988.db2.gz BZKXPGBYJZOVFL-UHFFFAOYSA-N -1 3 336.391 3.287 20 10 EGCDHM COc1ccc(NC(=O)c2cc([O-])cs2)cc1N1CCCCC1=O ZINC000731870194 575213927 /nfs/dbraw/zinc/21/39/27/575213927.db2.gz UIRFTBKLFJMIFC-UHFFFAOYSA-N -1 3 346.408 3.232 20 10 EGCDHM COc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])cs2)c(OC)c1 ZINC000731867428 575216260 /nfs/dbraw/zinc/21/62/60/575216260.db2.gz UEQZDXHEOLCNJE-AWEZNQCLSA-N -1 3 333.409 3.448 20 10 EGCDHM O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cc([O-])cs1 ZINC000731868729 575216687 /nfs/dbraw/zinc/21/66/87/575216687.db2.gz RPIHVJMUGDUXKU-UHFFFAOYSA-N -1 3 330.409 3.122 20 10 EGCDHM CN(Cc1nc(COc2ccc(F)cc2)no1)Cc1ccccc1[O-] ZINC000732202715 575244322 /nfs/dbraw/zinc/24/43/22/575244322.db2.gz DXBGTXDEJSQIMB-UHFFFAOYSA-N -1 3 343.358 3.125 20 10 EGCDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1cccc(N2CCCC2=O)c1 ZINC000732277476 575253273 /nfs/dbraw/zinc/25/32/73/575253273.db2.gz NLNBIVYGXPLMSH-LLVKDONJSA-N -1 3 330.409 3.072 20 10 EGCDHM O=C(NCCOc1ccccc1C(F)(F)F)c1cc([O-])cs1 ZINC000732289231 575255905 /nfs/dbraw/zinc/25/59/05/575255905.db2.gz MZXDSSUEQUZLHJ-UHFFFAOYSA-N -1 3 331.315 3.281 20 10 EGCDHM CC(C)NC(=O)CN(C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000732500213 575272623 /nfs/dbraw/zinc/27/26/23/575272623.db2.gz ITBOEINWQQAYQT-UHFFFAOYSA-N -1 3 326.396 3.248 20 10 EGCDHM COC(=O)[C@H](OC(=O)c1cc([O-])cs1)c1cccc(Cl)c1 ZINC000733825837 575395790 /nfs/dbraw/zinc/39/57/90/575395790.db2.gz DDIZAFFQHSSSCR-GFCCVEGCSA-N -1 3 326.757 3.178 20 10 EGCDHM [O-]c1c(Br)cccc1CN[C@@H](CO)c1ccc(F)cc1 ZINC000734851154 575560850 /nfs/dbraw/zinc/56/08/50/575560850.db2.gz XEUAYFCFCDPTFA-AWEZNQCLSA-N -1 3 340.192 3.117 20 10 EGCDHM C[C@@H]1CN(Cc2c([O-])ccc3ccncc32)C[C@@H](C(F)(F)F)O1 ZINC000744444503 576828582 /nfs/dbraw/zinc/82/85/82/576828582.db2.gz PLTIIGLWERBLEP-BMIGLBTASA-N -1 3 326.318 3.092 20 10 EGCDHM C[N@H+](Cc1cc(F)ccc1[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694491 605482292 /nfs/dbraw/zinc/48/22/92/605482292.db2.gz UKZZEDKNWIVKKB-OAHLLOKOSA-N -1 3 343.276 3.206 20 10 EGCDHM C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694491 605482296 /nfs/dbraw/zinc/48/22/96/605482296.db2.gz UKZZEDKNWIVKKB-OAHLLOKOSA-N -1 3 343.276 3.206 20 10 EGCDHM O=S(=O)([N-]Cc1ccccc1O)c1c(Cl)cccc1Cl ZINC000751149233 1299517149 /nfs/dbraw/zinc/51/71/49/1299517149.db2.gz OVGBYMBHCJMZMA-UHFFFAOYSA-N -1 3 332.208 3.178 20 10 EGCDHM NC(=O)CC[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092660341 1292882747 /nfs/dbraw/zinc/88/27/47/1292882747.db2.gz GLFUOJLHAJIHBB-JTQLQIEISA-N -1 3 331.243 3.177 20 10 EGCDHM O=C(NCCc1ccc(Cl)cc1Cl)c1cccc(O)c1[O-] ZINC000126214626 1293527420 /nfs/dbraw/zinc/52/74/20/1293527420.db2.gz ALINWRMOEOMFMQ-UHFFFAOYSA-N -1 3 326.179 3.377 20 10 EGCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2nc(C(C)(C)C)no2)c1[O-] ZINC000185183430 1295246846 /nfs/dbraw/zinc/24/68/46/1295246846.db2.gz SBWXKNFQHRIXBF-VIFPVBQESA-N -1 3 335.379 3.265 20 10 EGCDHM C[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccc(F)cc1[O-] ZINC000186439391 1295326791 /nfs/dbraw/zinc/32/67/91/1295326791.db2.gz MVADLNPOGQQFAE-GFCCVEGCSA-N -1 3 342.374 3.079 20 10 EGCDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])c(C(F)(F)F)c1 ZINC000187455161 1295390209 /nfs/dbraw/zinc/39/02/09/1295390209.db2.gz NHEFQYHZHYPIGZ-UHFFFAOYSA-N -1 3 341.285 3.055 20 10 EGCDHM O=C(Nc1cc(Br)c(F)cc1F)c1cccc(O)c1[O-] ZINC000312196199 1297115082 /nfs/dbraw/zinc/11/50/82/1297115082.db2.gz QHSZFWJDYYKIJB-UHFFFAOYSA-N -1 3 344.111 3.391 20 10 EGCDHM CN1c2ccccc2C(=O)N[C@H]1c1c([O-])cccc1Br ZINC000877842925 1299606139 /nfs/dbraw/zinc/60/61/39/1299606139.db2.gz LUPGHPFNQDNYJX-CQSZACIVSA-N -1 3 333.185 3.033 20 10 EGCDHM CN1C(=O)c2ccccc2N[C@H]1c1c([O-])cccc1Br ZINC000877842127 1299606827 /nfs/dbraw/zinc/60/68/27/1299606827.db2.gz FDXPOQBLPYVUBR-CQSZACIVSA-N -1 3 333.185 3.351 20 10 EGCDHM CCc1cc(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])[nH]n1 ZINC000756574824 1300525180 /nfs/dbraw/zinc/52/51/80/1300525180.db2.gz QSLLDKUKGGJKJP-QMMMGPOBSA-N -1 3 342.212 3.430 20 10 EGCDHM COC[C@H](NCc1cc(F)cc(F)c1[O-])c1ccc(F)c(F)c1 ZINC000883082793 1302238358 /nfs/dbraw/zinc/23/83/58/1302238358.db2.gz QPGKCPZHEQTWEO-HNNXBMFYSA-N -1 3 329.293 3.426 20 10 EGCDHM Cc1nc2cc(NCc3cc(F)cc(F)c3[O-])ccc2n1[C@H](C)CO ZINC000883142578 1302268985 /nfs/dbraw/zinc/26/89/85/1302268985.db2.gz NGFAXKNQVLBHLP-SNVBAGLBSA-N -1 3 347.365 3.494 20 10 EGCDHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1OC(C)C ZINC000768573995 1302936991 /nfs/dbraw/zinc/93/69/91/1302936991.db2.gz WOPMSKAMRDBFEH-UHFFFAOYSA-N -1 3 331.368 3.454 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCc2ccc(O)cc2C1 ZINC000768867859 1303000735 /nfs/dbraw/zinc/00/07/35/1303000735.db2.gz KPYWEQATUGAXTM-UHFFFAOYSA-N -1 3 334.213 3.419 20 10 EGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000769523630 1303135193 /nfs/dbraw/zinc/13/51/93/1303135193.db2.gz BZCKLEVUEXXYHR-AWEZNQCLSA-N -1 3 346.254 3.469 20 10 EGCDHM CCN(CC)c1ccc(CNC(=O)c2ccc(O)cc2[O-])cc1F ZINC000770489283 1303276467 /nfs/dbraw/zinc/27/64/67/1303276467.db2.gz SVCXHCNUGYHBSK-UHFFFAOYSA-N -1 3 332.375 3.013 20 10 EGCDHM CNC(=O)c1ccc(CN(C)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775647350 1304003600 /nfs/dbraw/zinc/00/36/00/1304003600.db2.gz SNCSINFGZPGYNY-UHFFFAOYSA-N -1 3 336.794 3.176 20 10 EGCDHM O=C(NCCc1ccccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC000776338504 1304136995 /nfs/dbraw/zinc/13/69/95/1304136995.db2.gz KMFBJAWZTQEIBU-UHFFFAOYSA-N -1 3 325.286 3.089 20 10 EGCDHM COC(=O)CN(Cc1ccc(Cl)cc1)Cc1cc(F)ccc1[O-] ZINC000779000370 1304515985 /nfs/dbraw/zinc/51/59/85/1304515985.db2.gz UQRUKYVRFJJIGI-UHFFFAOYSA-N -1 3 337.778 3.360 20 10 EGCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1Cl ZINC000788491165 1305955364 /nfs/dbraw/zinc/95/53/64/1305955364.db2.gz LNDIIRTZCXNJRP-UHFFFAOYSA-N -1 3 341.816 3.472 20 10 EGCDHM Cc1nn(C)c(CNCc2cccc(Br)c2[O-])c1Cl ZINC000894044117 1306188104 /nfs/dbraw/zinc/18/81/04/1306188104.db2.gz AXZOKWBRJBCTRT-UHFFFAOYSA-N -1 3 344.640 3.140 20 10 EGCDHM CC(=O)N1CCN(Cc2cc(F)cc(F)c2[O-])CC12CCCCC2 ZINC000894088213 1306210131 /nfs/dbraw/zinc/21/01/31/1306210131.db2.gz JCEPNTCUSYJRKI-UHFFFAOYSA-N -1 3 338.398 3.037 20 10 EGCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)cc1C ZINC000790415164 1306321740 /nfs/dbraw/zinc/32/17/40/1306321740.db2.gz AIPISYZMZBBHHN-UHFFFAOYSA-N -1 3 335.425 3.463 20 10 EGCDHM O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1cccc(O)c1[O-] ZINC000790556985 1306352817 /nfs/dbraw/zinc/35/28/17/1306352817.db2.gz YERQYKJJNGMSND-UHFFFAOYSA-N -1 3 335.319 3.486 20 10 EGCDHM CC[C@H](C)[C@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2[nH]1 ZINC000790561790 1306352854 /nfs/dbraw/zinc/35/28/54/1306352854.db2.gz WFVPWGLMKHHGGF-ZBEGNZNMSA-N -1 3 339.395 3.491 20 10 EGCDHM O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC000790613483 1306362843 /nfs/dbraw/zinc/36/28/43/1306362843.db2.gz BHICRRRCBHPFQI-DGCLKSJQSA-N -1 3 337.297 3.403 20 10 EGCDHM Cc1ccc(N2CCN(C(=O)c3cccc(O)c3[O-])[C@@H](C)C2)cc1C ZINC000790857289 1308875072 /nfs/dbraw/zinc/87/50/72/1308875072.db2.gz NAZODCXOOITARR-HNNXBMFYSA-N -1 3 340.423 3.066 20 10 EGCDHM COc1ccc2c(c1)nc(CNCc1c([O-])ccc(Cl)c1F)n2C ZINC000790989229 1308904502 /nfs/dbraw/zinc/90/45/02/1308904502.db2.gz AGQMFWYCFVTIDK-UHFFFAOYSA-N -1 3 349.793 3.370 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](COc2ccccc2)C1 ZINC000792189187 1309140125 /nfs/dbraw/zinc/14/01/25/1309140125.db2.gz RDFZVRVEQNVWPB-QGZVFWFLSA-N -1 3 333.815 3.325 20 10 EGCDHM COC1(C(F)(F)F)CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895026779 1309162776 /nfs/dbraw/zinc/16/27/76/1309162776.db2.gz ZWXZUXRTVUXXTH-UHFFFAOYSA-N -1 3 325.277 3.214 20 10 EGCDHM C[C@H](CN(C)Cc1cc(F)cc(F)c1[O-])NC(=O)OC(C)(C)C ZINC000895414111 1309326263 /nfs/dbraw/zinc/32/62/63/1309326263.db2.gz KIDCFUCDMNSORI-SNVBAGLBSA-N -1 3 330.375 3.015 20 10 EGCDHM COC(=O)c1cccc2[nH]c(NCc3c([O-])cccc3Cl)nc21 ZINC000795803092 1309838003 /nfs/dbraw/zinc/83/80/03/1309838003.db2.gz XDOOVQCKNJQJGC-UHFFFAOYSA-N -1 3 331.759 3.321 20 10 EGCDHM [O-]c1cccc(Br)c1CNCc1nnc(C2CC2)s1 ZINC000858179839 1328705209 /nfs/dbraw/zinc/70/52/09/1328705209.db2.gz VKEQDCAHUFAXHY-UHFFFAOYSA-N -1 3 340.246 3.173 20 10 EGCDHM O=c1cc(C=Cc2ccc(N3CCC(O)CC3)cc2)nc(C2CC2)[n-]1 ZINC000905072995 1317919490 /nfs/dbraw/zinc/91/94/90/1317919490.db2.gz BRQXLHBGGZZQOF-LZCJLJQNSA-N -1 3 337.423 3.191 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2c(F)cc(F)cc2F)c1 ZINC000815649480 1319035484 /nfs/dbraw/zinc/03/54/84/1319035484.db2.gz QZUJTDBMKNOFGD-VIFPVBQESA-N -1 3 339.313 3.447 20 10 EGCDHM COC(=O)[C@@H](Cc1ccccc1)NCc1cc(Cl)c(C)cc1[O-] ZINC000825667051 1320353901 /nfs/dbraw/zinc/35/39/01/1320353901.db2.gz SNVQFJZYYUNSJE-MRXNPFEDSA-N -1 3 333.815 3.228 20 10 EGCDHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1[O-] ZINC000839728805 1320969259 /nfs/dbraw/zinc/96/92/59/1320969259.db2.gz OTWCZYKHUJPZGO-GFCCVEGCSA-N -1 3 326.396 3.152 20 10 EGCDHM CC(C)(C)n1ncc2c1nc(NCc1cc(Cl)ccc1[O-])[nH]c2=O ZINC000845709066 1321735793 /nfs/dbraw/zinc/73/57/93/1321735793.db2.gz LUESZNUOIHYFOP-UHFFFAOYSA-N -1 3 347.806 3.258 20 10 EGCDHM CCN(Cc1cnsn1)Cc1cc(Br)ccc1[O-] ZINC000846808134 1321810663 /nfs/dbraw/zinc/81/06/63/1321810663.db2.gz QIRAENYGWJGMLJ-UHFFFAOYSA-N -1 3 328.235 3.028 20 10 EGCDHM Cc1cc(=O)[nH]c(C(C)(C)NCc2c([O-])ccc(Cl)c2F)n1 ZINC000862433474 1329486686 /nfs/dbraw/zinc/48/66/86/1329486686.db2.gz WLGOAEBDFRLCHG-UHFFFAOYSA-N -1 3 325.771 3.014 20 10 EGCDHM COC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203586959 1370179201 /nfs/dbraw/zinc/17/92/01/1370179201.db2.gz XNLQPBYMYWJHLG-SNVBAGLBSA-N -1 3 332.227 3.474 20 10 EGCDHM [O-]c1ccc(Cl)cc1CN1CCn2c(Br)cnc2C1 ZINC001203658494 1370205029 /nfs/dbraw/zinc/20/50/29/1370205029.db2.gz YGYAKGLXZFDCJA-UHFFFAOYSA-N -1 3 342.624 3.020 20 10 EGCDHM CC[C@@H](COc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O)OC ZINC001229542767 1375853125 /nfs/dbraw/zinc/85/31/25/1375853125.db2.gz OXIKLHMKUHEOGJ-LBPRGKRZSA-N -1 3 340.375 3.280 20 10 EGCDHM COc1ccccc1C1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231455857 1376245597 /nfs/dbraw/zinc/24/55/97/1376245597.db2.gz VAHBPAPDILOCMP-UHFFFAOYSA-N -1 3 341.407 3.479 20 10 EGCDHM COc1ccc(C2CC[NH+](Cc3cc(C(=O)[O-])ccc3[O-])CC2)cc1 ZINC001231563764 1376265376 /nfs/dbraw/zinc/26/53/76/1376265376.db2.gz LJXPWXINERTRDM-UHFFFAOYSA-N -1 3 341.407 3.479 20 10 EGCDHM COc1ccc([C@H]2CC[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)cc1 ZINC001231565882 1376266432 /nfs/dbraw/zinc/26/64/32/1376266432.db2.gz MTAFTWYFMJVEFI-HNNXBMFYSA-N -1 3 327.380 3.089 20 10 EGCDHM COc1ccc([C@H]2CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)cc1 ZINC001231565882 1376266439 /nfs/dbraw/zinc/26/64/39/1376266439.db2.gz MTAFTWYFMJVEFI-HNNXBMFYSA-N -1 3 327.380 3.089 20 10 EGCDHM COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231869977 1376331604 /nfs/dbraw/zinc/33/16/04/1376331604.db2.gz CYVUFZSNRYZUIY-QGZVFWFLSA-N -1 3 345.826 3.454 20 10 EGCDHM COc1cc2c(cc1OC)CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232269303 1376427011 /nfs/dbraw/zinc/42/70/11/1376427011.db2.gz ZJTQHYCSRHWNMA-UHFFFAOYSA-N -1 3 349.814 3.327 20 10 EGCDHM COc1cc([O-])c(CN2CCO[C@H](c3ccccn3)C2)cc1Cl ZINC001232269936 1376427039 /nfs/dbraw/zinc/42/70/39/1376427039.db2.gz OMLOQMMZUZNPJS-KRWDZBQOSA-N -1 3 334.803 3.023 20 10 EGCDHM C[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)CC[C@]1(C)O ZINC001233027039 1376557225 /nfs/dbraw/zinc/55/72/25/1376557225.db2.gz KQNQQFYUSYMXFA-BMIGLBTASA-N -1 3 346.240 3.277 20 10 EGCDHM COc1ccccc1O[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233077304 1376563642 /nfs/dbraw/zinc/56/36/42/1376563642.db2.gz IBCRLESOJMALEK-CYBMUJFWSA-N -1 3 335.350 3.332 20 10 EGCDHM CCOC(=O)C1(C(C)C)CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233078848 1376564691 /nfs/dbraw/zinc/56/46/91/1376564691.db2.gz LRVLNHHSGWTLTC-UHFFFAOYSA-N -1 3 341.398 3.472 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233334609 1376619546 /nfs/dbraw/zinc/61/95/46/1376619546.db2.gz NOGYELAZVHVPFP-LLVKDONJSA-N -1 3 342.386 3.017 20 10 EGCDHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001137833149 1377624154 /nfs/dbraw/zinc/62/41/54/1377624154.db2.gz UZXPSONUBQYDBE-BETUJISGSA-N -1 3 336.407 3.115 20 10 EGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCc2ccsc2C1 ZINC001139129323 1377834808 /nfs/dbraw/zinc/83/48/08/1377834808.db2.gz WAKNZHNMGVTVKT-UHFFFAOYSA-N -1 3 327.405 3.427 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139682944 1377933884 /nfs/dbraw/zinc/93/38/84/1377933884.db2.gz FXDUOAYEDRTREG-LLVKDONJSA-N -1 3 342.386 3.017 20 10 EGCDHM [O-]c1ccc(F)cc1CN1CC[C@@H](N2CCCCC2)C(F)(F)C1 ZINC001140056285 1377996953 /nfs/dbraw/zinc/99/69/53/1377996953.db2.gz PLODQAWVWHUIHK-MRXNPFEDSA-N -1 3 328.378 3.227 20 10 EGCDHM O=C1c2ccccc2[C@H]2CN(Cc3ccc(Cl)cc3[O-])CCN12 ZINC001140462836 1378067441 /nfs/dbraw/zinc/06/74/41/1378067441.db2.gz LYTHXBBZENDLLE-MRXNPFEDSA-N -1 3 328.799 3.058 20 10 EGCDHM O=C1CN(Cc2ccc(Cl)cc2[O-])CCN1c1ccc(F)cc1 ZINC001140465960 1378068434 /nfs/dbraw/zinc/06/84/34/1378068434.db2.gz VLGLLJBLNPTSCC-UHFFFAOYSA-N -1 3 334.778 3.034 20 10 EGCDHM COc1ccccc1CN1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140467292 1378069008 /nfs/dbraw/zinc/06/90/08/1378069008.db2.gz UVEPIYPQUGUYMG-UHFFFAOYSA-N -1 3 346.858 3.372 20 10 EGCDHM O=C1N(CC2CCCC2)CC[C@]12CCCN2Cc1c([O-])cccc1F ZINC001273265581 1378092914 /nfs/dbraw/zinc/09/29/14/1378092914.db2.gz HXCSGWNBDKRYTE-HXUWFJFHSA-N -1 3 346.446 3.288 20 10 EGCDHM O=C1N(C2CCCC2)CC[C@]12CCCN2Cc1c([O-])cccc1F ZINC001273266339 1378093429 /nfs/dbraw/zinc/09/34/29/1378093429.db2.gz WYKXVNCRQNTNML-LJQANCHMSA-N -1 3 332.419 3.041 20 10 EGCDHM COCC[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142517733 1378452397 /nfs/dbraw/zinc/45/23/97/1378452397.db2.gz YDRNQYQSUPMSTE-UGSOOPFHSA-N -1 3 341.398 3.078 20 10 EGCDHM C[C@@]1(O)CCCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298951 1378713194 /nfs/dbraw/zinc/71/31/94/1378713194.db2.gz MNQBDNZWFMHAPI-CQSZACIVSA-N -1 3 332.213 3.031 20 10 EGCDHM C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)C12CC3CC(CC(C3)C1)C2 ZINC001148589730 1379218711 /nfs/dbraw/zinc/21/87/11/1379218711.db2.gz JBDLCIXZQLAXML-INROXSABSA-N -1 3 331.412 3.138 20 10 EGCDHM Cc1cc(C(N)=O)cc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157727882 1381017599 /nfs/dbraw/zinc/01/75/99/1381017599.db2.gz QWWABJMWQVPBCD-UHFFFAOYSA-N -1 3 342.786 3.008 20 10 EGCDHM Cc1cc(Br)cc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000817881482 969185117 /nfs/dbraw/zinc/18/51/17/969185117.db2.gz UTQYVKPEKOEVAK-QWRGUYRKSA-N -1 3 342.233 3.148 20 10 EGCDHM Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000817881482 969185121 /nfs/dbraw/zinc/18/51/21/969185121.db2.gz UTQYVKPEKOEVAK-QWRGUYRKSA-N -1 3 342.233 3.148 20 10 EGCDHM CCN(C)c1ccc(CN2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1 ZINC001596194427 983577539 /nfs/dbraw/zinc/57/75/39/983577539.db2.gz LUSPHBFVOSOELK-UONOGXRCSA-N -1 3 344.377 3.228 20 10 EGCDHM CN(C)c1cc(F)c(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1F ZINC001598306446 991264482 /nfs/dbraw/zinc/26/44/82/991264482.db2.gz WBRDTLRFARLRTF-ZDUSSCGKSA-N -1 3 340.414 3.354 20 10 EGCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@@H](O)c1ccc(F)cc1 ZINC001593196354 994154119 /nfs/dbraw/zinc/15/41/19/994154119.db2.gz HLGGEFSLDSXMHH-WVQJBOLRSA-N -1 3 333.359 3.002 20 10 EGCDHM C[C@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593256327 994520949 /nfs/dbraw/zinc/52/09/49/994520949.db2.gz HPEZVWXZIFSGJX-ZFWWWQNUSA-N -1 3 349.427 3.207 20 10 EGCDHM C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001594169032 998651774 /nfs/dbraw/zinc/65/17/74/998651774.db2.gz ZGZJGCWQPUEHFQ-KDOFPFPSSA-N -1 3 341.407 3.266 20 10 EGCDHM C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001594169032 998651779 /nfs/dbraw/zinc/65/17/79/998651779.db2.gz ZGZJGCWQPUEHFQ-KDOFPFPSSA-N -1 3 341.407 3.266 20 10 EGCDHM [O-]c1ccc2ccccc2c1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000131419148 454251616 /nfs/dbraw/zinc/25/16/16/454251616.db2.gz ASRRYCKLPLXCIL-UHFFFAOYSA-N -1 3 348.328 3.172 20 10 EGCDHM CCCN(Cc1ccccc1O)C(=O)c1c[n-]c2ccccc2c1=O ZINC000066096447 454656791 /nfs/dbraw/zinc/65/67/91/454656791.db2.gz AXPGJXMBJFDFNZ-UHFFFAOYSA-N -1 3 336.391 3.286 20 10 EGCDHM Cn1cc(C[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)cn1 ZINC000093870273 454742834 /nfs/dbraw/zinc/74/28/34/454742834.db2.gz BCUZSNMLANDOJY-LLVKDONJSA-N -1 3 340.254 3.497 20 10 EGCDHM CCOc1ccc(-c2noc(CN(C)Cc3ccccc3[O-])n2)cc1 ZINC000109769704 454835851 /nfs/dbraw/zinc/83/58/51/454835851.db2.gz KYQLRJOLENGESZ-UHFFFAOYSA-N -1 3 339.395 3.473 20 10 EGCDHM C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(C)Cc1ccccc1[O-] ZINC000109771284 454836215 /nfs/dbraw/zinc/83/62/15/454836215.db2.gz OHZUNJVENCOLDF-UONOGXRCSA-N -1 3 330.403 3.229 20 10 EGCDHM O=C(/C=C/c1cnc2ccccc2n1)N1CCCc2cccc([O-])c21 ZINC000155645739 455026073 /nfs/dbraw/zinc/02/60/73/455026073.db2.gz ADSFCWMMUQCJDQ-ZHACJKMWSA-N -1 3 331.375 3.328 20 10 EGCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000266315151 455426753 /nfs/dbraw/zinc/42/67/53/455426753.db2.gz FKPSYQOEZVOOLT-UHFFFAOYSA-N -1 3 340.210 3.427 20 10 EGCDHM COc1cccc(-c2noc([C@@H](C)NCc3cc(F)ccc3[O-])n2)c1 ZINC000191562777 455497306 /nfs/dbraw/zinc/49/73/06/455497306.db2.gz OWKCNWXAKOOQFN-LLVKDONJSA-N -1 3 343.358 3.441 20 10 EGCDHM Cc1ccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)c([O-])c1O ZINC000182365353 455498175 /nfs/dbraw/zinc/49/81/75/455498175.db2.gz CHTNSEOUWQDZLJ-QGZVFWFLSA-N -1 3 334.375 3.321 20 10 EGCDHM Cc1ccc([C@@H](C)[NH2+]Cc2nnc(COc3ccccc3)[n-]2)c([O-])c1 ZINC000186423947 455765793 /nfs/dbraw/zinc/76/57/93/455765793.db2.gz ARFAMLPDLTXWDB-CQSZACIVSA-N -1 3 338.411 3.249 20 10 EGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CSC1CC1 ZINC000295271981 455844628 /nfs/dbraw/zinc/84/46/28/455844628.db2.gz LQIHCACSQHTYAR-UHFFFAOYSA-N -1 3 344.274 3.399 20 10 EGCDHM COCC(=O)N1CCc2cc(N[C@H](C)c3ccc(F)cc3[O-])ccc21 ZINC000187667948 455935429 /nfs/dbraw/zinc/93/54/29/455935429.db2.gz IMZMDWOHKRJYKT-GFCCVEGCSA-N -1 3 344.386 3.240 20 10 EGCDHM [O-]c1ccc(F)cc1CNCc1nn(-c2ccccc2)c2c1CCC2 ZINC000272475097 455963278 /nfs/dbraw/zinc/96/32/78/455963278.db2.gz SENFGCAUSVRTTD-UHFFFAOYSA-N -1 3 337.398 3.496 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000280780974 456050819 /nfs/dbraw/zinc/05/08/19/456050819.db2.gz ZTVRPKDWUCEJDG-UHFFFAOYSA-N -1 3 333.334 3.396 20 10 EGCDHM COC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cccc(Cl)c1 ZINC000288492749 456096854 /nfs/dbraw/zinc/09/68/54/456096854.db2.gz HLGBLQCHJUDAPR-OAHLLOKOSA-N -1 3 336.775 3.431 20 10 EGCDHM C[C@H](O)c1ncc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000289084192 456114655 /nfs/dbraw/zinc/11/46/55/456114655.db2.gz KTELLVXIWMYISC-DZGCQCFKSA-N -1 3 348.468 3.083 20 10 EGCDHM O=C(c1ccsc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271119161 456132217 /nfs/dbraw/zinc/13/22/17/456132217.db2.gz JDWIVCVNESVVKM-UHFFFAOYSA-N -1 3 336.844 3.065 20 10 EGCDHM COc1c([O-])c(CNc2ccc(F)c([C@@H](C)O)c2)ccc1[N+](=O)[O-] ZINC000289861075 456158336 /nfs/dbraw/zinc/15/83/36/456158336.db2.gz VJMGNARFSJIDDX-SECBINFHSA-N -1 3 336.319 3.114 20 10 EGCDHM Cc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(F)cc3[O-])C2=O)cc1 ZINC000189088559 456223343 /nfs/dbraw/zinc/22/33/43/456223343.db2.gz VBACMGYFODPMSM-KSSFIOAISA-N -1 3 342.414 3.291 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000273382875 456226733 /nfs/dbraw/zinc/22/67/33/456226733.db2.gz ISOBMXWOLDFAKU-VXGBXAGGSA-N -1 3 344.367 3.499 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(OC)cc(OC)c2)c1 ZINC000273474239 456233002 /nfs/dbraw/zinc/23/30/02/456233002.db2.gz KIOBSBOPUOKSBZ-LLVKDONJSA-N -1 3 331.368 3.369 20 10 EGCDHM CCc1ccc([C@@H](COC)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])o1 ZINC000273614550 456241155 /nfs/dbraw/zinc/24/11/55/456241155.db2.gz WYGNJPYXOPOBLL-BLLLJJGKSA-N -1 3 347.411 3.373 20 10 EGCDHM Cc1cc(Br)cc([C@@H](C)N[C@@H](C)c2nncn2C)c1[O-] ZINC000275270545 456271892 /nfs/dbraw/zinc/27/18/92/456271892.db2.gz BXGVFWFGQRMBCF-ZJUUUORDSA-N -1 3 339.237 3.003 20 10 EGCDHM Cc1cc(Br)cc([C@H](C)N[C@H](C)c2nncn2C)c1[O-] ZINC000275270543 456272401 /nfs/dbraw/zinc/27/24/01/456272401.db2.gz BXGVFWFGQRMBCF-VHSXEESVSA-N -1 3 339.237 3.003 20 10 EGCDHM CC(=O)NCCN(Cc1ccsc1)Cc1cccc(Cl)c1[O-] ZINC000282924851 456666403 /nfs/dbraw/zinc/66/64/03/456666403.db2.gz FKSMEVZDTRTOFZ-UHFFFAOYSA-N -1 3 338.860 3.245 20 10 EGCDHM CCS(=O)(=O)CCN(Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000299539975 456722546 /nfs/dbraw/zinc/72/25/46/456722546.db2.gz FKTBUPQZQOAKNG-INIZCTEOSA-N -1 3 347.480 3.390 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3nccn3C)C2)c1[O-] ZINC000365665111 457768703 /nfs/dbraw/zinc/76/87/03/457768703.db2.gz OTRSQEXXBOGXKI-ZDUSSCGKSA-N -1 3 347.846 3.361 20 10 EGCDHM C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc([O-])cs3)n2)C1 ZINC000731866066 575213378 /nfs/dbraw/zinc/21/33/78/575213378.db2.gz FEHZLMINHQOZFT-SNVBAGLBSA-N -1 3 337.470 3.394 20 10 EGCDHM C[C@@H]1CN(c2ccccc2NC(=O)c2cc([O-])cs2)C[C@@H](C)O1 ZINC000732274285 575252322 /nfs/dbraw/zinc/25/23/22/575252322.db2.gz QQWTWGAJGARPHB-VXGBXAGGSA-N -1 3 332.425 3.320 20 10 EGCDHM CC(C)[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NC1CCCCCC1 ZINC000732354824 575261923 /nfs/dbraw/zinc/26/19/23/575261923.db2.gz SIWVCJSSIAJFFJ-OAHLLOKOSA-N -1 3 339.457 3.474 20 10 EGCDHM C[S@](=O)Cc1cc(NC(=O)c2cc([O-])cs2)ccc1Cl ZINC000734555565 575512316 /nfs/dbraw/zinc/51/23/16/575512316.db2.gz XZSOPRYUOXASPX-FQEVSTJZSA-N -1 3 329.830 3.238 20 10 EGCDHM Cc1sc(NC(=O)COC(=O)c2cc([O-])cs2)c(C)c1C ZINC000745003257 576838258 /nfs/dbraw/zinc/83/82/58/576838258.db2.gz ZVSOVKVCKRIEQR-UHFFFAOYSA-N -1 3 325.411 3.236 20 10 EGCDHM O=C([O-])c1sccc1C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000833347988 601826120 /nfs/dbraw/zinc/82/61/20/601826120.db2.gz YRWKSNHLAHHEAV-HNNXBMFYSA-N -1 3 347.436 3.333 20 10 EGCDHM O=C([O-])c1sccc1C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000833347988 601826122 /nfs/dbraw/zinc/82/61/22/601826122.db2.gz YRWKSNHLAHHEAV-HNNXBMFYSA-N -1 3 347.436 3.333 20 10 EGCDHM COc1ccc(N(C)Cc2ccc(F)cc2-c2nnn[n-]2)cc1Cl ZINC000821827446 606881854 /nfs/dbraw/zinc/88/18/54/606881854.db2.gz AWANIWBSCYKDKN-UHFFFAOYSA-N -1 3 347.781 3.304 20 10 EGCDHM COc1ccc(N(C)Cc2ccc(F)cc2-c2nn[n-]n2)cc1Cl ZINC000821827446 606881855 /nfs/dbraw/zinc/88/18/55/606881855.db2.gz AWANIWBSCYKDKN-UHFFFAOYSA-N -1 3 347.781 3.304 20 10 EGCDHM CCc1cc(=O)[n-]c(CN(Cc2ccco2)Cc2ccccc2O)n1 ZINC000120475031 1293323248 /nfs/dbraw/zinc/32/32/48/1293323248.db2.gz WOYYWQJWBRLRLD-UHFFFAOYSA-N -1 3 339.395 3.246 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)CC(=O)Nc2ccc(C)cc2)c1[O-] ZINC000177245686 1294661072 /nfs/dbraw/zinc/66/10/72/1294661072.db2.gz FOWJFEXLSKSQLB-UHFFFAOYSA-N -1 3 344.386 3.113 20 10 EGCDHM CCc1ccc([C@H](COC)NCc2cc(F)cc(C(C)=O)c2[O-])o1 ZINC000184830311 1295221183 /nfs/dbraw/zinc/22/11/83/1295221183.db2.gz NJRLHCBHSUSDRD-INIZCTEOSA-N -1 3 335.375 3.367 20 10 EGCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cnn1-c1cc(C)ccc1C ZINC000193143608 1295837211 /nfs/dbraw/zinc/83/72/11/1295837211.db2.gz CGZQERFBIYPAOH-UHFFFAOYSA-N -1 3 337.379 3.461 20 10 EGCDHM CN(CC(=O)N1CCCC1)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000873984916 1297746375 /nfs/dbraw/zinc/74/63/75/1297746375.db2.gz QKMKRAZGVFHBEU-UHFFFAOYSA-N -1 3 338.407 3.346 20 10 EGCDHM COC(=O)C[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000748049735 1298917581 /nfs/dbraw/zinc/91/75/81/1298917581.db2.gz PMGGWXAOJBIBST-CQSZACIVSA-N -1 3 339.819 3.166 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000757656576 1300704912 /nfs/dbraw/zinc/70/49/12/1300704912.db2.gz KADXNIBNSCUJEB-YMTOWFKASA-N -1 3 349.333 3.241 20 10 EGCDHM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000758169608 1300797971 /nfs/dbraw/zinc/79/79/71/1300797971.db2.gz VCLSRRIOCYJSFK-UHFFFAOYSA-N -1 3 332.356 3.189 20 10 EGCDHM CCc1noc(C)c1CNCc1cc(Br)cc(F)c1[O-] ZINC000883130538 1302265593 /nfs/dbraw/zinc/26/55/93/1302265593.db2.gz IWIRNQXJIZWQNK-UHFFFAOYSA-N -1 3 343.196 3.442 20 10 EGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])CCN1c1cccc(F)c1 ZINC000765683474 1302306496 /nfs/dbraw/zinc/30/64/96/1302306496.db2.gz PZKVLMFVZZNECB-UHFFFAOYSA-N -1 3 334.778 3.034 20 10 EGCDHM Cc1cc(CN[C@@H](C)c2c([O-])cccc2F)nc(N2CCCC2)n1 ZINC000886613881 1303524801 /nfs/dbraw/zinc/52/48/01/1303524801.db2.gz HMTLPQBTFFZVDS-ZDUSSCGKSA-N -1 3 330.407 3.081 20 10 EGCDHM C[C@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1nnnn1C1CC1 ZINC000774379864 1303804086 /nfs/dbraw/zinc/80/40/86/1303804086.db2.gz GPPKAVYWDSFMEH-YUMQZZPRSA-N -1 3 342.230 3.432 20 10 EGCDHM COc1c([O-])c(CN[C@H](c2ncc(C)s2)C2CC2)ccc1[N+](=O)[O-] ZINC000775024618 1303890777 /nfs/dbraw/zinc/89/07/77/1303890777.db2.gz RBOSMMKIHFFGCC-ZDUSSCGKSA-N -1 3 349.412 3.315 20 10 EGCDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(O)cc1[O-] ZINC000780914623 1304751351 /nfs/dbraw/zinc/75/13/51/1304751351.db2.gz KHKBDFFMTQGGIS-UHFFFAOYSA-N -1 3 326.396 3.018 20 10 EGCDHM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000790600177 1306357382 /nfs/dbraw/zinc/35/73/82/1306357382.db2.gz BIXXFUKDASQOMF-KXBFYZLASA-N -1 3 341.407 3.338 20 10 EGCDHM CC(=O)c1cc(F)cc(CN(C)CC(F)(F)Br)c1[O-] ZINC000805838539 1317430622 /nfs/dbraw/zinc/43/06/22/1317430622.db2.gz WMRPRKOVCGBMIY-UHFFFAOYSA-N -1 3 340.139 3.153 20 10 EGCDHM CCOC(=O)c1ccc(CNCc2c([O-])ccc(Cl)c2F)o1 ZINC000809742829 1317886877 /nfs/dbraw/zinc/88/68/77/1317886877.db2.gz GCUCSFGVSMIESS-UHFFFAOYSA-N -1 3 327.739 3.244 20 10 EGCDHM C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1cccc(C(F)(F)F)c1[O-] ZINC000815557316 1319014304 /nfs/dbraw/zinc/01/43/04/1319014304.db2.gz QQUPZQVIYNXAEL-IINYFYTJSA-N -1 3 338.329 3.288 20 10 EGCDHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816515615 1319170964 /nfs/dbraw/zinc/17/09/64/1319170964.db2.gz FOSALRYRARJEMM-ZIAGYGMSSA-N -1 3 342.842 3.406 20 10 EGCDHM COc1ccc([N+](=O)[O-])cc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816548754 1319179565 /nfs/dbraw/zinc/17/95/65/1319179565.db2.gz RFNJDARMXFFSGK-UHFFFAOYSA-N -1 3 340.738 3.391 20 10 EGCDHM COc1ccc(C[C@H]2CCCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000846473903 1321788255 /nfs/dbraw/zinc/78/82/55/1321788255.db2.gz JARCOTNPPOAMSM-OAHLLOKOSA-N -1 3 341.407 3.344 20 10 EGCDHM C[C@]1(Cc2ccccc2)SCCN1C(=O)c1cccc(O)c1[O-] ZINC000925456277 1325158792 /nfs/dbraw/zinc/15/87/92/1325158792.db2.gz VKDKJVYAAPOFIL-GOSISDBHSA-N -1 3 329.421 3.246 20 10 EGCDHM Cc1noc([C@@H]2CCCN2Cc2c([O-])cccc2Br)n1 ZINC000862366877 1329478584 /nfs/dbraw/zinc/47/85/84/1329478584.db2.gz ZVXRWUDYSRGWTJ-LBPRGKRZSA-N -1 3 338.205 3.183 20 10 EGCDHM Cc1c[nH]c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1C ZINC001191161347 1367435746 /nfs/dbraw/zinc/43/57/46/1367435746.db2.gz QNTWWMCIMDSFRX-UHFFFAOYSA-N -1 3 329.787 3.469 20 10 EGCDHM CN1CCN(Cc2cc(Br)ccc2[O-])Cc2cccnc21 ZINC001203642682 1370198744 /nfs/dbraw/zinc/19/87/44/1370198744.db2.gz KHJFNMLFAFEABH-UHFFFAOYSA-N -1 3 348.244 3.002 20 10 EGCDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2c1cnn2CC ZINC001203656334 1370203882 /nfs/dbraw/zinc/20/38/82/1370203882.db2.gz NJVWFAUDUZWKDU-AWEZNQCLSA-N -1 3 349.862 3.398 20 10 EGCDHM COc1cc(Cl)cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1 ZINC001215325172 1373197987 /nfs/dbraw/zinc/19/79/87/1373197987.db2.gz FJCKNAFGHHMHDC-UHFFFAOYSA-N -1 3 334.715 3.182 20 10 EGCDHM COc1ccc(OC)c(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c1 ZINC001216952346 1373370300 /nfs/dbraw/zinc/37/03/00/1373370300.db2.gz WPLQYEGOGVMBJX-UHFFFAOYSA-N -1 3 348.742 3.485 20 10 EGCDHM C[C@@H]1C[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)CCO1 ZINC001226382424 1375249734 /nfs/dbraw/zinc/24/97/34/1375249734.db2.gz BTSDFWBDKHLCEW-NEPJUHHUSA-N -1 3 338.359 3.114 20 10 EGCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)c([O-])c1 ZINC001231455885 1376245785 /nfs/dbraw/zinc/24/57/85/1376245785.db2.gz WDWREJKPSUWRFA-GOSISDBHSA-N -1 3 341.407 3.272 20 10 EGCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)c([O-])c1 ZINC001231455885 1376245787 /nfs/dbraw/zinc/24/57/87/1376245787.db2.gz WDWREJKPSUWRFA-GOSISDBHSA-N -1 3 341.407 3.272 20 10 EGCDHM CCOC[C@@H]1Cn2nccc2CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231869603 1376331067 /nfs/dbraw/zinc/33/10/67/1376331067.db2.gz SASOWHLTEOGBQM-AWEZNQCLSA-N -1 3 349.862 3.219 20 10 EGCDHM COc1cc([O-])c(CN2CCN(C(=O)OC(C)(C)C)C2)cc1Cl ZINC001232270838 1376427024 /nfs/dbraw/zinc/42/70/24/1376427024.db2.gz JZOXRZCBRUZHJB-UHFFFAOYSA-N -1 3 342.823 3.064 20 10 EGCDHM COc1ccc(N2CCN(Cc3c([O-])ccc(F)c3F)CC2)c(C)c1 ZINC001233336178 1376619193 /nfs/dbraw/zinc/61/91/93/1376619193.db2.gz BMICVCWAAUUYQB-UHFFFAOYSA-N -1 3 348.393 3.310 20 10 EGCDHM COc1cc([O-])c(CN2CCC(F)(F)CC2)c(Br)c1 ZINC001237058869 1376974379 /nfs/dbraw/zinc/97/43/79/1376974379.db2.gz CBYNLXUZUXIHGQ-UHFFFAOYSA-N -1 3 336.176 3.394 20 10 EGCDHM C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1Cc1c([O-])cccc1F ZINC001137831779 1377624257 /nfs/dbraw/zinc/62/42/57/1377624257.db2.gz MXPALEDVUGZUFW-ZDUSSCGKSA-N -1 3 338.423 3.363 20 10 EGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)Cc1cccc(O)c1 ZINC001139126864 1377834673 /nfs/dbraw/zinc/83/46/73/1377834673.db2.gz SNQJAMVQSVRLFS-UHFFFAOYSA-N -1 3 325.364 3.145 20 10 EGCDHM [O-]c1c(F)ccc(F)c1CN1CCN2CCc3ccccc3[C@H]2C1 ZINC001139686087 1377934800 /nfs/dbraw/zinc/93/48/00/1377934800.db2.gz NCZDLSSAHVCLRZ-GOSISDBHSA-N -1 3 330.378 3.085 20 10 EGCDHM CCn1cc2c(n1)CN(Cc1c([O-])cccc1Cl)C[C@@H]2COC ZINC001140338414 1378048577 /nfs/dbraw/zinc/04/85/77/1378048577.db2.gz ISMQUTQLASDKDD-GFCCVEGCSA-N -1 3 335.835 3.008 20 10 EGCDHM CCOCc1ncn2c1CN(Cc1c([O-])cccc1Cl)CCC2 ZINC001140339253 1378049052 /nfs/dbraw/zinc/04/90/52/1378049052.db2.gz GUZSNSBHBXXQJG-UHFFFAOYSA-N -1 3 335.835 3.185 20 10 EGCDHM Cc1ccnc(O[C@@H]2CCCN(Cc3c([O-])cc(F)cc3F)C2)c1 ZINC001140585513 1378090610 /nfs/dbraw/zinc/09/06/10/1378090610.db2.gz LVMHJSLMMXMOCC-CQSZACIVSA-N -1 3 334.366 3.417 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583318 1378090624 /nfs/dbraw/zinc/09/06/24/1378090624.db2.gz DXVBULABGCNWMJ-LLVKDONJSA-N -1 3 342.386 3.017 20 10 EGCDHM CC(C)(C)CC(=O)NC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142530402 1378454218 /nfs/dbraw/zinc/45/42/18/1378454218.db2.gz HCPMRVMDYHPMNF-UHFFFAOYSA-N -1 3 340.414 3.187 20 10 EGCDHM CCOC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144300177 1378712763 /nfs/dbraw/zinc/71/27/63/1378712763.db2.gz VUIADBKMTHGMQE-UHFFFAOYSA-N -1 3 332.213 3.295 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccn1)C1CCCCC1 ZINC001148218621 1379134700 /nfs/dbraw/zinc/13/47/00/1379134700.db2.gz IGBHPILLLYCFEW-UHFFFAOYSA-N -1 3 326.396 3.468 20 10 EGCDHM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586039 1379217090 /nfs/dbraw/zinc/21/70/90/1379217090.db2.gz FTVWLDWPSFCFLY-UHFFFAOYSA-N -1 3 345.351 3.011 20 10 EGCDHM COCc1cc(NCc2cc(Cl)c3cccnc3c2[O-])nc(C)n1 ZINC001157723700 1381015646 /nfs/dbraw/zinc/01/56/46/1381015646.db2.gz AXHCNDJRBNRFMZ-UHFFFAOYSA-N -1 3 344.802 3.451 20 10 EGCDHM O=C1Cc2ccc(NCc3cc(Cl)c4cccnc4c3[O-])nc2N1 ZINC001168525625 1383930422 /nfs/dbraw/zinc/93/04/22/1383930422.db2.gz IGALGFMWIXBTGU-UHFFFAOYSA-N -1 3 340.770 3.096 20 10 EGCDHM [O-]c1c(CNc2ncc3[nH]ccc3n2)cc(Cl)c2cccnc12 ZINC001168527149 1383930455 /nfs/dbraw/zinc/93/04/55/1383930455.db2.gz DKPOSAOENIKJEE-UHFFFAOYSA-N -1 3 325.759 3.477 20 10 EGCDHM CN(C)c1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168527394 1383930716 /nfs/dbraw/zinc/93/07/16/1383930716.db2.gz GCDQZAXCRWIZLZ-UHFFFAOYSA-N -1 3 329.791 3.062 20 10 EGCDHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc2ccccc2cc1O ZINC001171407714 1384514292 /nfs/dbraw/zinc/51/42/92/1384514292.db2.gz UYXGQEYYDVQGQY-UHFFFAOYSA-N -1 3 347.378 3.346 20 10 EGCDHM C[C@@H](C(=O)NCc1cc(Cl)c2cccnc2c1[O-])c1cccnc1 ZINC001177796891 1386048377 /nfs/dbraw/zinc/04/83/77/1386048377.db2.gz UTTJJPPUXJWPDH-LLVKDONJSA-N -1 3 341.798 3.409 20 10 EGCDHM CC1(C)C[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CCO1 ZINC001182024964 1387095414 /nfs/dbraw/zinc/09/54/14/1387095414.db2.gz DKGKVMZFNAQANA-NSHDSACASA-N -1 3 348.830 3.415 20 10 EGCDHM C[C@@H](NCc1cc(OCC(F)F)ccn1)c1c([O-])cccc1F ZINC001334031205 1390463460 /nfs/dbraw/zinc/46/34/60/1390463460.db2.gz DBEJEKUXSHUSNP-SNVBAGLBSA-N -1 3 326.318 3.421 20 10 EGCDHM O=C([O-])C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC001594933676 954840585 /nfs/dbraw/zinc/84/05/85/954840585.db2.gz FNKSQSSKZOWZJZ-UHFFFAOYSA-N -1 3 341.407 3.268 20 10 EGCDHM C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001592706038 979172867 /nfs/dbraw/zinc/17/28/67/979172867.db2.gz IODBNONOZJTRCN-NWDGAFQWSA-N -1 3 333.359 3.348 20 10 EGCDHM CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cc(C(=O)[O-])ccc2O)n[nH]1 ZINC001595015301 982960591 /nfs/dbraw/zinc/96/05/91/982960591.db2.gz HWCRWQAGBWDWIC-DCAQKATOSA-N -1 3 332.404 3.134 20 10 EGCDHM CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])C12CCCC2 ZINC001596833375 985468919 /nfs/dbraw/zinc/46/89/19/985468919.db2.gz NFAQBTOJFSVGLG-JCURWCKSSA-N -1 3 333.428 3.479 20 10 EGCDHM COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001599667211 994749880 /nfs/dbraw/zinc/74/98/80/994749880.db2.gz XWICWQHYVSWRJW-STQMWFEESA-N -1 3 329.396 3.381 20 10 EGCDHM C[C@@H](NCc1cccc2c1OCCCO2)c1cc(C(=O)[O-])ccc1O ZINC001593305588 994763933 /nfs/dbraw/zinc/76/39/33/994763933.db2.gz XKNFKIHJFRLCLI-GFCCVEGCSA-N -1 3 343.379 3.103 20 10 EGCDHM [O-]c1ccc(Br)cc1CN1CCC(n2ccnc2)CC1 ZINC000092648312 454599940 /nfs/dbraw/zinc/59/99/40/454599940.db2.gz MWJYLGZCQZLHSI-UHFFFAOYSA-N -1 3 336.233 3.188 20 10 EGCDHM [O-]c1cccc(Cl)c1CNc1ccc(CN2CCOCC2)cc1 ZINC000157993566 455257403 /nfs/dbraw/zinc/25/74/03/455257403.db2.gz FLHHVZFTUHEQRV-UHFFFAOYSA-N -1 3 332.831 3.490 20 10 EGCDHM COc1ccc(N2CCCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC000055877262 454021734 /nfs/dbraw/zinc/02/17/34/454021734.db2.gz JPIOXNWQTPKAET-UHFFFAOYSA-N -1 3 340.423 3.062 20 10 EGCDHM CN(Cc1ccccc1[O-])Cc1cc2c(cc1OC(F)F)OCO2 ZINC000120038364 454250731 /nfs/dbraw/zinc/25/07/31/454250731.db2.gz YRUJXUXMGPYLBZ-UHFFFAOYSA-N -1 3 337.322 3.354 20 10 EGCDHM CC(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000155582061 455018839 /nfs/dbraw/zinc/01/88/39/455018839.db2.gz HUOYTJGYAXZNBS-LLVKDONJSA-N -1 3 331.243 3.047 20 10 EGCDHM O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179564570 455058507 /nfs/dbraw/zinc/05/85/07/455058507.db2.gz BWCVBHVKALIUOQ-UHFFFAOYSA-N -1 3 330.815 3.004 20 10 EGCDHM COc1cccc(-c2noc([C@@H](C)NCc3ccccc3[O-])n2)c1 ZINC000174657941 455409792 /nfs/dbraw/zinc/40/97/92/455409792.db2.gz SYDDMNYURDJORA-GFCCVEGCSA-N -1 3 325.368 3.302 20 10 EGCDHM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000185670441 455592925 /nfs/dbraw/zinc/59/29/25/455592925.db2.gz XZDFZTWAAFQNPB-DEOSSOPVSA-N -1 3 347.436 3.397 20 10 EGCDHM C[C@@H](NCC(=O)NCC(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000192755617 455686152 /nfs/dbraw/zinc/68/61/52/455686152.db2.gz MZXVVOMFNGGXAI-ZCFIWIBFSA-N -1 3 345.148 3.028 20 10 EGCDHM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cccc(O)c1[O-] ZINC000193064066 455740419 /nfs/dbraw/zinc/74/04/19/455740419.db2.gz QKKLGWHEXJFOIV-BZNIZROVSA-N -1 3 347.798 3.353 20 10 EGCDHM C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N(C)Cc2ccccc2[O-])C1=O ZINC000292767061 455752362 /nfs/dbraw/zinc/75/23/62/455752362.db2.gz JHCQOSRGNVRYDE-KBXCAEBGSA-N -1 3 342.414 3.325 20 10 EGCDHM [O-]c1ccccc1[C@H](CCc1ccccc1)NCc1nnc2n1CCC2 ZINC000293861834 455799651 /nfs/dbraw/zinc/79/96/51/455799651.db2.gz UNOSCKHPONTXSF-SFHVURJKSA-N -1 3 348.450 3.394 20 10 EGCDHM COc1c([O-])c(CN[C@H](C)c2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000278507185 455837510 /nfs/dbraw/zinc/83/75/10/455837510.db2.gz OZNQQHOAHMIOGB-SECBINFHSA-N -1 3 338.310 3.438 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC(COc2ccccc2)CC1 ZINC000187007718 455862345 /nfs/dbraw/zinc/86/23/45/455862345.db2.gz UHXNZKBUHMCMCN-UHFFFAOYSA-N -1 3 327.380 3.029 20 10 EGCDHM CC(C)c1nnc(CN[C@@H](C)c2cc(Br)ccc2[O-])[nH]1 ZINC000296357434 455917626 /nfs/dbraw/zinc/91/76/26/455917626.db2.gz IPPNGOMQJGGZIP-VIFPVBQESA-N -1 3 339.237 3.247 20 10 EGCDHM CC[C@H](NCC(=O)NCC1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287563588 456072034 /nfs/dbraw/zinc/07/20/34/456072034.db2.gz GJGKFXJWNDJSAO-ZDUSSCGKSA-N -1 3 331.243 3.266 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](n3cc(C)cn3)C2)c1[O-] ZINC000289950399 456193267 /nfs/dbraw/zinc/19/32/67/456193267.db2.gz QCUUOLABCJPDQY-OAHLLOKOSA-N -1 3 333.819 3.200 20 10 EGCDHM COC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccc(C)o1 ZINC000273363280 456225123 /nfs/dbraw/zinc/22/51/23/456225123.db2.gz AUKHZVONXQARLX-DOMZBBRYSA-N -1 3 333.384 3.119 20 10 EGCDHM C[C@H](NCc1cc(F)ccc1N1CCOCC1)c1ccc(F)cc1[O-] ZINC000273548903 456237649 /nfs/dbraw/zinc/23/76/49/456237649.db2.gz FNINOLBRQHNJHW-ZDUSSCGKSA-N -1 3 348.393 3.358 20 10 EGCDHM C[C@H](c1nccs1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000274379245 456257770 /nfs/dbraw/zinc/25/77/70/456257770.db2.gz SBQNSEBZJXXRAD-GFCCVEGCSA-N -1 3 337.876 3.381 20 10 EGCDHM Cc1cc(Br)cc([C@H](C)N[C@@H](C)c2ncnn2C)c1[O-] ZINC000276628515 456535688 /nfs/dbraw/zinc/53/56/88/456535688.db2.gz NIKIRZMJPOUJSU-UWVGGRQHSA-N -1 3 339.237 3.003 20 10 EGCDHM O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cc([O-])cs1 ZINC000732278873 575253931 /nfs/dbraw/zinc/25/39/31/575253931.db2.gz GHYCCRHAPQGNJK-LLVKDONJSA-N -1 3 336.844 3.363 20 10 EGCDHM COc1ccc(Br)cc1CNC(=O)c1cc([O-])cs1 ZINC000732280580 575254167 /nfs/dbraw/zinc/25/41/67/575254167.db2.gz LTFDOMRBQNKQNK-UHFFFAOYSA-N -1 3 342.214 3.155 20 10 EGCDHM O=C(NCc1ccc(OC2CCCCC2)nc1)c1cc([O-])cs1 ZINC000732280535 575254314 /nfs/dbraw/zinc/25/43/14/575254314.db2.gz CYAYSERZCKQPTM-UHFFFAOYSA-N -1 3 332.425 3.490 20 10 EGCDHM C[C@@H](c1cccc(NC(=O)c2cc([O-])cs2)c1)N1CCOCC1 ZINC000732287486 575255333 /nfs/dbraw/zinc/25/53/33/575255333.db2.gz VRLSKSSOJOYGHH-LBPRGKRZSA-N -1 3 332.425 3.099 20 10 EGCDHM O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cc([O-])cs1 ZINC000732290867 575255929 /nfs/dbraw/zinc/25/59/29/575255929.db2.gz GBKFYWWMFXUJJO-UHFFFAOYSA-N -1 3 349.799 3.130 20 10 EGCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000732353868 575261737 /nfs/dbraw/zinc/26/17/37/575261737.db2.gz BYVCJISFEUSITA-DJCSNXPJSA-N -1 3 349.452 3.084 20 10 EGCDHM O=C(OCc1nn(-c2ccccc2)c2c1CCC2)c1cc([O-])cs1 ZINC000732355667 575261938 /nfs/dbraw/zinc/26/19/38/575261938.db2.gz RWTADMAWNVKJCL-UHFFFAOYSA-N -1 3 340.404 3.485 20 10 EGCDHM COc1ccc(NC(=O)[C@@H](OC(=O)c2cc([O-])cs2)C(C)C)cc1 ZINC000732354935 575261989 /nfs/dbraw/zinc/26/19/89/575261989.db2.gz XGCCWRDAJODDPL-HNNXBMFYSA-N -1 3 349.408 3.282 20 10 EGCDHM O=C(CNCc1c([O-])cccc1Cl)Nc1ccc(Cl)cc1 ZINC000733325807 575328004 /nfs/dbraw/zinc/32/80/04/575328004.db2.gz YGDPKAWITJYXSH-UHFFFAOYSA-N -1 3 325.195 3.427 20 10 EGCDHM Cc1cc(N(C)C)ccc1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737271072 576196474 /nfs/dbraw/zinc/19/64/74/576196474.db2.gz QVVQDFOUPQBVGB-UHFFFAOYSA-N -1 3 344.369 3.131 20 10 EGCDHM Cc1cc(N(C)C)ccc1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737271072 576196478 /nfs/dbraw/zinc/19/64/78/576196478.db2.gz QVVQDFOUPQBVGB-UHFFFAOYSA-N -1 3 344.369 3.131 20 10 EGCDHM O=C([O-])N1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000738641168 576345397 /nfs/dbraw/zinc/34/53/97/576345397.db2.gz UMRQKCSKIIQQIZ-UHFFFAOYSA-N -1 3 326.396 3.291 20 10 EGCDHM O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cc([O-])cs1 ZINC000740940136 576638246 /nfs/dbraw/zinc/63/82/46/576638246.db2.gz GYRIOPIHPJWJGV-JTQLQIEISA-N -1 3 332.208 3.224 20 10 EGCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1nc(-c2cccc(F)c2)no1 ZINC000743799369 576816120 /nfs/dbraw/zinc/81/61/20/576816120.db2.gz HWXSSSGQWNQEHH-QMMMGPOBSA-N -1 3 333.344 3.134 20 10 EGCDHM CCOc1ccc(O)c(CN2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833662653 605546421 /nfs/dbraw/zinc/54/64/21/605546421.db2.gz JKMSKVOYOUXIIR-UHFFFAOYSA-N -1 3 327.380 3.047 20 10 EGCDHM COc1cccc2c1CN(Cc1cc(F)cc(C(C)=O)c1[O-])CC2 ZINC000831943973 1292939922 /nfs/dbraw/zinc/93/99/22/1292939922.db2.gz MABPMILCBFPMIJ-UHFFFAOYSA-N -1 3 329.371 3.301 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000177248377 1294660792 /nfs/dbraw/zinc/66/07/92/1294660792.db2.gz BHRCOCGAKBRSNA-GOSISDBHSA-N -1 3 347.361 3.447 20 10 EGCDHM COC[C@@H](NCc1cccc(Br)c1[O-])c1ccco1 ZINC000177573791 1294677376 /nfs/dbraw/zinc/67/73/76/1294677376.db2.gz YHBHRQVULPNMKZ-GFCCVEGCSA-N -1 3 326.190 3.225 20 10 EGCDHM CC1(C)CN(Cc2cccc(Br)c2[O-])[C@@H]2COC[C@@H]21 ZINC000384787890 1297580269 /nfs/dbraw/zinc/58/02/69/1297580269.db2.gz SAPCLJHEFODGIK-WCQYABFASA-N -1 3 326.234 3.012 20 10 EGCDHM Cc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)c([O-])c1O ZINC000751534584 1299563941 /nfs/dbraw/zinc/56/39/41/1299563941.db2.gz ZRJWKOWNKXCSRQ-UHFFFAOYSA-N -1 3 327.365 3.177 20 10 EGCDHM CCNC(=O)c1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000756869503 1300583051 /nfs/dbraw/zinc/58/30/51/1300583051.db2.gz WTNMDMBSRUIAKA-LBPRGKRZSA-N -1 3 342.395 3.102 20 10 EGCDHM Cc1cc(C=Cc2nccc(=O)[n-]2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000764433914 1302063129 /nfs/dbraw/zinc/06/31/29/1302063129.db2.gz HFTHOLDXKZBECK-ZZXKWVIFSA-N -1 3 335.363 3.489 20 10 EGCDHM [O-]c1c(Br)cccc1CN1CCC[C@H](n2ccnc2)C1 ZINC000769311041 1303090909 /nfs/dbraw/zinc/09/09/09/1303090909.db2.gz LOAVPPQWBJEQDO-ZDUSSCGKSA-N -1 3 336.233 3.188 20 10 EGCDHM CC1CCN(c2ccc(CNC(=O)c3c([O-])cccc3O)cc2)CC1 ZINC000770408419 1303263538 /nfs/dbraw/zinc/26/35/38/1303263538.db2.gz KVJYDDDQLYRHEQ-UHFFFAOYSA-N -1 3 340.423 3.264 20 10 EGCDHM COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1[O-] ZINC000771924779 1303461478 /nfs/dbraw/zinc/46/14/78/1303461478.db2.gz PVBTXXJMUQLQFB-MRXNPFEDSA-N -1 3 331.799 3.146 20 10 EGCDHM COc1c([O-])c(CNc2cnc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000775063610 1303898821 /nfs/dbraw/zinc/89/88/21/1303898821.db2.gz VHHYMFKPWDNRFK-UHFFFAOYSA-N -1 3 325.324 3.469 20 10 EGCDHM COCc1nc(CNCc2cccc(Br)c2[O-])cs1 ZINC000775150989 1303916543 /nfs/dbraw/zinc/91/65/43/1303916543.db2.gz CYRVINMQBYTSII-UHFFFAOYSA-N -1 3 343.246 3.047 20 10 EGCDHM [O-]c1c(Br)cccc1CNCc1cccnc1Cl ZINC000775151510 1303916410 /nfs/dbraw/zinc/91/64/10/1303916410.db2.gz GCVKWPRFZZLMFD-UHFFFAOYSA-N -1 3 327.609 3.493 20 10 EGCDHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC000775152822 1303916917 /nfs/dbraw/zinc/91/69/17/1303916917.db2.gz GVDRFCOJZGIVMD-RISCZKNCSA-N -1 3 340.851 3.391 20 10 EGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000775666485 1304009805 /nfs/dbraw/zinc/00/98/05/1304009805.db2.gz ZBTHJWUGKKVELT-HNNXBMFYSA-N -1 3 343.826 3.345 20 10 EGCDHM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc(O)c1[O-] ZINC000776327279 1304135269 /nfs/dbraw/zinc/13/52/69/1304135269.db2.gz NEFYODDHCIRKCR-UHFFFAOYSA-N -1 3 327.336 3.392 20 10 EGCDHM COC(=O)[C@H](NCc1cc(Cl)ccc1[O-])c1cc(F)ccc1F ZINC000779178024 1304538886 /nfs/dbraw/zinc/53/88/86/1304538886.db2.gz HLTAXTZZNLCFAT-OAHLLOKOSA-N -1 3 341.741 3.328 20 10 EGCDHM Cc1ccc(C(=O)Nc2cc(CCc3ccccc3)[nH]n2)c([O-])c1O ZINC000780949684 1304754358 /nfs/dbraw/zinc/75/43/58/1304754358.db2.gz MOTYJPAWGZPXIE-UHFFFAOYSA-N -1 3 337.379 3.167 20 10 EGCDHM CCCN(CC(=O)OCC)Cc1cc(C)cc(Br)c1[O-] ZINC000781901133 1304888613 /nfs/dbraw/zinc/88/86/13/1304888613.db2.gz NQUNOACPAWAGAU-UHFFFAOYSA-N -1 3 344.249 3.238 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)Cc3ccccc32)c1[O-] ZINC000789352798 1306145520 /nfs/dbraw/zinc/14/55/20/1306145520.db2.gz GTIVNOSZAZOCFI-HNNXBMFYSA-N -1 3 331.799 3.172 20 10 EGCDHM CCCCCC(=O)NC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893987273 1306165208 /nfs/dbraw/zinc/16/52/08/1306165208.db2.gz QGHNXRLHPLTQNY-UHFFFAOYSA-N -1 3 340.414 3.331 20 10 EGCDHM O=C(Nc1nc(Sc2ccccc2)ns1)c1cccc(O)c1[O-] ZINC000790665580 1306371222 /nfs/dbraw/zinc/37/12/22/1306371222.db2.gz HHHVVLZUVXAVHT-UHFFFAOYSA-N -1 3 345.405 3.353 20 10 EGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(OC(F)(F)F)c1 ZINC000790876486 1308879237 /nfs/dbraw/zinc/87/92/37/1308879237.db2.gz XWIUITLMYDEKNN-VIFPVBQESA-N -1 3 341.285 3.487 20 10 EGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])nn1-c1cccc(Cl)c1 ZINC000790917802 1308886101 /nfs/dbraw/zinc/88/61/01/1308886101.db2.gz XMBWKQUIXSTULH-UHFFFAOYSA-N -1 3 343.770 3.498 20 10 EGCDHM CC(C)OC(=O)C[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894469506 1308906460 /nfs/dbraw/zinc/90/64/60/1308906460.db2.gz HUATWPCBQPIOLM-LBPRGKRZSA-N -1 3 327.371 3.224 20 10 EGCDHM CCCC(=O)NC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792166611 1309134967 /nfs/dbraw/zinc/13/49/67/1309134967.db2.gz DCENSJOJVHQREF-UHFFFAOYSA-N -1 3 328.815 3.065 20 10 EGCDHM Cc1ccc(NCc2c([O-])cccc2Cl)cc1N1C(=O)CNC1=O ZINC000793355142 1309351826 /nfs/dbraw/zinc/35/18/26/1309351826.db2.gz ADBHMAQOXOXPFR-UHFFFAOYSA-N -1 3 345.786 3.022 20 10 EGCDHM CC1(C)CN(Cc2c([O-])ccc3ccncc32)C[C@H](C(F)(F)F)O1 ZINC000793678104 1309426921 /nfs/dbraw/zinc/42/69/21/1309426921.db2.gz OXIJYAIIZDDQOE-OAHLLOKOSA-N -1 3 340.345 3.482 20 10 EGCDHM COc1ccc(CN(CCO)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000895709740 1309481163 /nfs/dbraw/zinc/48/11/63/1309481163.db2.gz DSADMBOVQCTFBH-UHFFFAOYSA-N -1 3 339.794 3.188 20 10 EGCDHM Cc1nc(CC2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)no1 ZINC000896551366 1309913268 /nfs/dbraw/zinc/91/32/68/1309913268.db2.gz LPXZFJAMGIMYEZ-UHFFFAOYSA-N -1 3 339.798 3.331 20 10 EGCDHM CC[C@H](Nc1ccc(OC)c(-n2cnnn2)c1)c1ccc(F)cc1[O-] ZINC000796923208 1310110335 /nfs/dbraw/zinc/11/03/35/1310110335.db2.gz AYNTWGWALUBXNV-AWEZNQCLSA-N -1 3 343.362 3.079 20 10 EGCDHM O=C(NCCCc1c[nH]c2ccc(F)cc12)c1cccc(O)c1[O-] ZINC000800644838 1310789704 /nfs/dbraw/zinc/78/97/04/1310789704.db2.gz OOTJIUYBXQAGPT-UHFFFAOYSA-N -1 3 328.343 3.081 20 10 EGCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000807807848 1317588679 /nfs/dbraw/zinc/58/86/79/1317588679.db2.gz JJQRFZFLLUIINV-IAGOWNOFSA-N -1 3 341.407 3.416 20 10 EGCDHM CCN1CCCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807838684 1317591277 /nfs/dbraw/zinc/59/12/77/1317591277.db2.gz OHKLGZISTMAEQJ-CYBMUJFWSA-N -1 3 331.243 3.190 20 10 EGCDHM COc1ccc(N2CCCN(Cc3c(F)ccc([O-])c3F)CC2)cc1 ZINC000816495237 1319166223 /nfs/dbraw/zinc/16/62/23/1319166223.db2.gz PLZLASMLPDKSPX-UHFFFAOYSA-N -1 3 348.393 3.391 20 10 EGCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H](CO)c1c(F)cccc1F ZINC000816550324 1319179973 /nfs/dbraw/zinc/17/99/73/1319179973.db2.gz OEVOBVPCQGNZLD-CYBMUJFWSA-N -1 3 331.721 3.286 20 10 EGCDHM COc1ccccc1[C@H](CO)NCc1cc(Cl)c(F)cc1[O-] ZINC000816551257 1319180796 /nfs/dbraw/zinc/18/07/96/1319180796.db2.gz UVEAOJQYLIPJDI-AWEZNQCLSA-N -1 3 325.767 3.017 20 10 EGCDHM CC(C)(CO)[C@@H](NCc1c([O-])ccc(Cl)c1F)c1cccnc1 ZINC000816637471 1319198620 /nfs/dbraw/zinc/19/86/20/1319198620.db2.gz FGPODSGVAFZKLU-INIZCTEOSA-N -1 3 338.810 3.429 20 10 EGCDHM Cc1cc(Br)c([O-])c(CN[C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000825017656 1320304572 /nfs/dbraw/zinc/30/45/72/1320304572.db2.gz WOVDSCIWKPAPMR-ZWNOBZJWSA-N -1 3 336.233 3.455 20 10 EGCDHM C/C=C/C[C@@H](NCc1ccc(Br)cc1[O-])C(=O)OCC ZINC000825692285 1320356190 /nfs/dbraw/zinc/35/61/90/1320356190.db2.gz HHACPXMGMUNUKA-MASHWEEQSA-N -1 3 342.233 3.142 20 10 EGCDHM C[C@H](N[C@@H](C)c1cc(Br)ccc1[O-])c1csnn1 ZINC000840886042 1321170989 /nfs/dbraw/zinc/17/09/89/1321170989.db2.gz MGHZIWKDXFSFJV-YUMQZZPRSA-N -1 3 328.235 3.418 20 10 EGCDHM CCOCc1nc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2[O-])no1 ZINC000841752525 1321306626 /nfs/dbraw/zinc/30/66/26/1321306626.db2.gz BDEFKEJCOLKKAG-VHSXEESVSA-N -1 3 325.796 3.377 20 10 EGCDHM C[C@H](Nc1ccc(N2CCOCC2)cn1)c1ccc(Cl)cc1[O-] ZINC000841751139 1321306845 /nfs/dbraw/zinc/30/68/45/1321306845.db2.gz LJKXLVDRLHPPJA-LBPRGKRZSA-N -1 3 333.819 3.450 20 10 EGCDHM C[C@H](NCc1n[nH]cc1Br)c1ccc(Cl)cc1[O-] ZINC000841757005 1321307561 /nfs/dbraw/zinc/30/75/61/1321307561.db2.gz BQBYJXIZCOGJJO-ZETCQYMHSA-N -1 3 330.613 3.382 20 10 EGCDHM CC(C)(C)OC(=O)Cn1cc(NCc2c([O-])cccc2Cl)cn1 ZINC000842716768 1321422817 /nfs/dbraw/zinc/42/28/17/1321422817.db2.gz QIDZTDCHSHACCA-UHFFFAOYSA-N -1 3 337.807 3.196 20 10 EGCDHM COC[C@@H](C)N(C(=O)c1cccc(O)c1[O-])[C@H]1CCc2ccccc21 ZINC000863724650 1329577328 /nfs/dbraw/zinc/57/73/28/1329577328.db2.gz VKLHWEDAIKVPME-DYVFJYSZSA-N -1 3 341.407 3.262 20 10 EGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1C[C@]12CCCOC2 ZINC001183732854 1387338583 /nfs/dbraw/zinc/33/85/83/1387338583.db2.gz BKEAFFDINWFKSY-ACJLOTCBSA-N -1 3 346.814 3.027 20 10 EGCDHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(N(C)C)c2)c(C)c1 ZINC001196889059 1368707651 /nfs/dbraw/zinc/70/76/51/1368707651.db2.gz YTVDFQWBWIKSTG-UHFFFAOYSA-N -1 3 334.441 3.179 20 10 EGCDHM COc1ccc(CN2CCN(Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC001203658131 1370205225 /nfs/dbraw/zinc/20/52/25/1370205225.db2.gz RCLMCUYWNNBNIJ-UHFFFAOYSA-N -1 3 346.858 3.372 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc3ncsc3c2)no1 ZINC001215325558 1373197712 /nfs/dbraw/zinc/19/77/12/1373197712.db2.gz ZGKJRDFIARQCIU-UHFFFAOYSA-N -1 3 327.321 3.130 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001215325157 1373197754 /nfs/dbraw/zinc/19/77/54/1373197754.db2.gz DUEJTKOKAIKQOI-UHFFFAOYSA-N -1 3 340.669 3.452 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccccc2-c2cnco2)no1 ZINC001215325520 1373197813 /nfs/dbraw/zinc/19/78/13/1373197813.db2.gz XLCHQXHNYSJDHC-UHFFFAOYSA-N -1 3 337.291 3.175 20 10 EGCDHM C[C@H]1CC[C@@H](COc2cccc3c2C(=O)c2c([O-])cccc2C3=O)O1 ZINC001226380046 1375248407 /nfs/dbraw/zinc/24/84/07/1375248407.db2.gz MQAXNWYEELSYOH-RYUDHWBXSA-N -1 3 338.359 3.114 20 10 EGCDHM O=C1c2cccc(OC[C@H]3CCC=CO3)c2C(=O)c2cccc([O-])c21 ZINC001229187287 1375783498 /nfs/dbraw/zinc/78/34/98/1375783498.db2.gz XRVGZWLDWIDXQA-GFCCVEGCSA-N -1 3 336.343 3.239 20 10 EGCDHM COC(=O)c1ccc2c(c1)CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232263360 1376426587 /nfs/dbraw/zinc/42/65/87/1376426587.db2.gz NUOMWQPDOTWFHE-UHFFFAOYSA-N -1 3 333.771 3.054 20 10 EGCDHM COC(=O)c1ccc(C2CN(Cc3c([O-])ccc(F)c3F)C2)cc1 ZINC001233336359 1376621434 /nfs/dbraw/zinc/62/14/34/1376621434.db2.gz JFHJAUIJGKBYHJ-UHFFFAOYSA-N -1 3 333.334 3.056 20 10 EGCDHM Cc1cc([O-])c(CN2CCC(=O)[C@@H](C)CC2)cc1Br ZINC001237676108 1376983525 /nfs/dbraw/zinc/98/35/25/1376983525.db2.gz FKTPGQHDLKGMJV-JTQLQIEISA-N -1 3 326.234 3.264 20 10 EGCDHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCCN1Cc1c([O-])cccc1F ZINC001137841906 1377628738 /nfs/dbraw/zinc/62/87/38/1377628738.db2.gz ZGAFOZORVBUIOD-WFASDCNBSA-N -1 3 338.423 3.409 20 10 EGCDHM [O-]c1cccc(Br)c1CN1CCC[C@H]1c1ncccn1 ZINC001140102367 1378007620 /nfs/dbraw/zinc/00/76/20/1378007620.db2.gz NXTLPIFLGQSMEB-ZDUSSCGKSA-N -1 3 334.217 3.282 20 10 EGCDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Cl)Cc2c1cnn2CC ZINC001140338552 1378048662 /nfs/dbraw/zinc/04/86/62/1378048662.db2.gz LHSRUVZXHZJSNR-ZDUSSCGKSA-N -1 3 349.862 3.398 20 10 EGCDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(Cl)cc1[O-] ZINC001140463142 1378066513 /nfs/dbraw/zinc/06/65/13/1378066513.db2.gz UTYQKLGNLGQJAT-LBPRGKRZSA-N -1 3 340.851 3.487 20 10 EGCDHM CC(C)(C)OC(=O)NC1(C)CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140465955 1378067772 /nfs/dbraw/zinc/06/77/72/1378067772.db2.gz VFWVYEKFSVPJRN-UHFFFAOYSA-N -1 3 326.824 3.145 20 10 EGCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001140585216 1378090279 /nfs/dbraw/zinc/09/02/79/1378090279.db2.gz ZRFZDDNTJHYFJM-HOTGVXAUSA-N -1 3 328.378 3.069 20 10 EGCDHM [O-]c1cc(F)c(F)cc1CN1CCC(O)(c2ccccc2F)CC1 ZINC001142520886 1378452274 /nfs/dbraw/zinc/45/22/74/1378452274.db2.gz RCPKOFAZKKIHCD-UHFFFAOYSA-N -1 3 337.341 3.293 20 10 EGCDHM O=C(Nc1cc2cccnc2c2ncccc12)c1cccc(O)c1[O-] ZINC001148218882 1379134682 /nfs/dbraw/zinc/13/46/82/1379134682.db2.gz LWOKTFXIGPXTFN-UHFFFAOYSA-N -1 3 331.331 3.447 20 10 EGCDHM C[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)C12CC3CC(CC(C3)C1)C2 ZINC001148589729 1379218393 /nfs/dbraw/zinc/21/83/93/1379218393.db2.gz JBDLCIXZQLAXML-BHWZJQCCSA-N -1 3 331.412 3.138 20 10 EGCDHM Cn1ccc2ncnc(NCc3cc(Cl)c4cccnc4c3[O-])c21 ZINC001168527857 1383930178 /nfs/dbraw/zinc/93/01/78/1383930178.db2.gz NLLYXMDRUBFEIC-UHFFFAOYSA-N -1 3 339.786 3.488 20 10 EGCDHM O=C(C[C@@H]1CCCCO1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001180414062 1386789447 /nfs/dbraw/zinc/78/94/47/1386789447.db2.gz QYECWYZAHXCUSM-LBPRGKRZSA-N -1 3 334.803 3.169 20 10 EGCDHM COCC1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CCC1 ZINC001181952677 1387081920 /nfs/dbraw/zinc/08/19/20/1387081920.db2.gz SDNZGZLJEDKDNV-UHFFFAOYSA-N -1 3 334.803 3.027 20 10 EGCDHM C[C@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593250203 994484075 /nfs/dbraw/zinc/48/40/75/994484075.db2.gz SCYOVELIXBKXBS-UGSOOPFHSA-N -1 3 333.428 3.480 20 10 EGCDHM C[C@@H]([NH2+]CCCOCc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593268965 994596758 /nfs/dbraw/zinc/59/67/58/994596758.db2.gz XRRJHDNXKQGUSE-CQSZACIVSA-N -1 3 329.396 3.348 20 10 EGCDHM C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354673 994995626 /nfs/dbraw/zinc/99/56/26/994995626.db2.gz WJUAXTBJPNTBGZ-RVZJWNSFSA-N -1 3 342.395 3.056 20 10 EGCDHM COc1ccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1C ZINC001599571304 998369028 /nfs/dbraw/zinc/36/90/28/998369028.db2.gz ONQCFZXCGNZFBW-GOSISDBHSA-N -1 3 344.367 3.001 20 10 EGCDHM CC[C@H](N[C@H](C)C(=O)NCCF)c1cc(Cl)cc(Cl)c1[O-] ZINC000286988647 456058428 /nfs/dbraw/zinc/05/84/28/456058428.db2.gz JMEYIFFFRZGPSX-PELKAZGASA-N -1 3 337.222 3.214 20 10 EGCDHM Cc1cc(Br)cc([C@@H](C)N[C@H](C)c2nncn2C)c1[O-] ZINC000275270530 456272238 /nfs/dbraw/zinc/27/22/38/456272238.db2.gz BXGVFWFGQRMBCF-NXEZZACHSA-N -1 3 339.237 3.003 20 10 EGCDHM COc1ccc(OC)c2c1CN(Cc1cc(Cl)ccc1[O-])C[C@H]2O ZINC000121096612 454391176 /nfs/dbraw/zinc/39/11/76/454391176.db2.gz IAQNCEKZOTWTJD-OAHLLOKOSA-N -1 3 349.814 3.112 20 10 EGCDHM CC(C)(C)c1noc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000109761495 454835796 /nfs/dbraw/zinc/83/57/96/454835796.db2.gz RWLIBAZRXGDNAD-OAHLLOKOSA-N -1 3 345.443 3.254 20 10 EGCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3ccccc3)C2)c1[O-] ZINC000177248163 454842278 /nfs/dbraw/zinc/84/22/78/454842278.db2.gz UWFNDCSUDFFPHJ-SFHVURJKSA-N -1 3 329.371 3.307 20 10 EGCDHM Cc1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)c([O-])c1O ZINC000179541210 455056963 /nfs/dbraw/zinc/05/69/63/455056963.db2.gz VMICXHPKKGHCGH-UHFFFAOYSA-N -1 3 340.423 3.147 20 10 EGCDHM CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182218030 455463410 /nfs/dbraw/zinc/46/34/10/455463410.db2.gz VVQOOHRPCHTRFI-UHFFFAOYSA-N -1 3 342.395 3.141 20 10 EGCDHM COC(=O)c1cc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])oc1C ZINC000175567877 455464973 /nfs/dbraw/zinc/46/49/73/455464973.db2.gz WJOOFCUDCXREFZ-UHFFFAOYSA-N -1 3 349.358 3.054 20 10 EGCDHM CCc1nnc(-c2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2)o1 ZINC000182535040 455534850 /nfs/dbraw/zinc/53/48/50/455534850.db2.gz DXCFRYLDOURASS-UHFFFAOYSA-N -1 3 339.351 3.271 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3n[nH]c(C)n3)C2)c1[O-] ZINC000268534893 455708727 /nfs/dbraw/zinc/70/87/27/455708727.db2.gz ZRPOQAKCAYRMLT-GFCCVEGCSA-N -1 3 348.834 3.054 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3nc(C)n[nH]3)C2)c1[O-] ZINC000268534893 455708732 /nfs/dbraw/zinc/70/87/32/455708732.db2.gz ZRPOQAKCAYRMLT-GFCCVEGCSA-N -1 3 348.834 3.054 20 10 EGCDHM COC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000193276864 455750071 /nfs/dbraw/zinc/75/00/71/455750071.db2.gz XUBCNWMCBHFNOH-OAHLLOKOSA-N -1 3 336.775 3.431 20 10 EGCDHM C[C@H](NCc1nnc2n1CCCC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000193286325 455752083 /nfs/dbraw/zinc/75/20/83/455752083.db2.gz OGUCMNIJHRTQFU-VIFPVBQESA-N -1 3 341.242 3.478 20 10 EGCDHM CC[C@H]([NH2+]Cc1nnc(COc2ccccc2)[n-]1)c1ccccc1[O-] ZINC000186424332 455765806 /nfs/dbraw/zinc/76/58/06/455765806.db2.gz WKYCSPOZVSTULV-INIZCTEOSA-N -1 3 338.411 3.330 20 10 EGCDHM Cc1nc(C(C)(C)NCc2cc(Br)cc(C)c2[O-])no1 ZINC000271883402 455797879 /nfs/dbraw/zinc/79/78/79/455797879.db2.gz PYIGLFWTVFFMLX-UHFFFAOYSA-N -1 3 340.221 3.179 20 10 EGCDHM COc1c(O)cccc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000272332593 455916773 /nfs/dbraw/zinc/91/67/73/455916773.db2.gz WVAHEFBYGNGEQO-KRWDZBQOSA-N -1 3 343.423 3.288 20 10 EGCDHM COCC1=CCN(Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000187616723 455930738 /nfs/dbraw/zinc/93/07/38/455930738.db2.gz CILJUIBGDGMMJN-UHFFFAOYSA-N -1 3 326.234 3.242 20 10 EGCDHM COCC(=O)N1CCc2cc(N[C@@H](C)c3cc(F)ccc3[O-])ccc21 ZINC000187659875 455934179 /nfs/dbraw/zinc/93/41/79/455934179.db2.gz KRBDPPVIZXYPBH-LBPRGKRZSA-N -1 3 344.386 3.240 20 10 EGCDHM [O-]c1ccccc1CN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280411798 455966810 /nfs/dbraw/zinc/96/68/10/455966810.db2.gz YOOKJLBXYRHQLT-ZDUSSCGKSA-N -1 3 327.302 3.114 20 10 EGCDHM C[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000287504422 456070921 /nfs/dbraw/zinc/07/09/21/456070921.db2.gz YSFFVWQMSVRYNE-ZIAGYGMSSA-N -1 3 346.402 3.192 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCc3c2cccc3O)c1 ZINC000273363314 456225316 /nfs/dbraw/zinc/22/53/16/456225316.db2.gz AVODXYDNENQYSR-BZNIZROVSA-N -1 3 327.380 3.223 20 10 EGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nc(C3CC3)cs2)c1 ZINC000273473515 456233501 /nfs/dbraw/zinc/23/35/01/456233501.db2.gz KEHZAFKNYZIVEY-SNVBAGLBSA-N -1 3 332.425 3.364 20 10 EGCDHM CCc1nn(C)c(CC)c1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273543029 456237205 /nfs/dbraw/zinc/23/72/05/456237205.db2.gz YUUSODIKOAPREI-NSHDSACASA-N -1 3 332.404 3.010 20 10 EGCDHM COc1cc(Cl)cc(CNCc2nnc(C(C)(C)C)s2)c1[O-] ZINC000273731190 456243309 /nfs/dbraw/zinc/24/33/09/456243309.db2.gz KBAHEDUHROMNKW-UHFFFAOYSA-N -1 3 341.864 3.493 20 10 EGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1OC1CCOCC1 ZINC000275102865 456270063 /nfs/dbraw/zinc/27/00/63/456270063.db2.gz IZDNBZXDIISMPN-UHFFFAOYSA-N -1 3 343.379 3.216 20 10 EGCDHM CC[C@H](c1ccncc1)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290336971 456297974 /nfs/dbraw/zinc/29/79/74/456297974.db2.gz FDGJGYSESHJFLO-CQSZACIVSA-N -1 3 331.372 3.287 20 10 EGCDHM C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(=O)N1CCCC1 ZINC000281799322 456324366 /nfs/dbraw/zinc/32/43/66/456324366.db2.gz YFDPHJVFEIPCEW-UWVGGRQHSA-N -1 3 331.243 3.361 20 10 EGCDHM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1cccc(O)c1[O-] ZINC000298828874 456549160 /nfs/dbraw/zinc/54/91/60/456549160.db2.gz CBNWZZCDRFICMJ-AWEZNQCLSA-N -1 3 329.400 3.195 20 10 EGCDHM COc1c([O-])c(CN2C[C@H](C)C[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755943 457686900 /nfs/dbraw/zinc/68/69/00/457686900.db2.gz CUAQKAKWORQERM-WBMJQRKESA-N -1 3 343.383 3.287 20 10 EGCDHM COC(=O)CN(CCc1cccs1)Cc1cc(Cl)ccc1[O-] ZINC000731844813 575211947 /nfs/dbraw/zinc/21/19/47/575211947.db2.gz JNJOITHWIURDMT-UHFFFAOYSA-N -1 3 339.844 3.325 20 10 EGCDHM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000731871523 575214127 /nfs/dbraw/zinc/21/41/27/575214127.db2.gz HMWORYXHTWNBNG-NSHDSACASA-N -1 3 332.425 3.368 20 10 EGCDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1ccc(NC(=O)C2CC2)cc1 ZINC000731868552 575216569 /nfs/dbraw/zinc/21/65/69/575216569.db2.gz JKHQZLDPSZNXTF-SNVBAGLBSA-N -1 3 330.409 3.293 20 10 EGCDHM CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc([O-])cs1 ZINC000731912616 575218099 /nfs/dbraw/zinc/21/80/99/575218099.db2.gz UXLZIFPRCCGYCZ-UHFFFAOYSA-N -1 3 333.409 3.048 20 10 EGCDHM Cc1ccc([C@H](C)NC(=O)COC(=O)c2cc([O-])cs2)cc1C ZINC000731910256 575218712 /nfs/dbraw/zinc/21/87/12/575218712.db2.gz QIQCPLQUBAUUHN-LBPRGKRZSA-N -1 3 333.409 3.105 20 10 EGCDHM Cc1ccc(NC(=O)COC(=O)c2cc([O-])cs2)c(Cl)c1 ZINC000731910169 575218771 /nfs/dbraw/zinc/21/87/71/575218771.db2.gz MUZXUUFRPMPCEY-UHFFFAOYSA-N -1 3 325.773 3.211 20 10 EGCDHM O=C(NCc1ccccc1OCC(F)(F)F)c1cc([O-])cs1 ZINC000732275924 575252841 /nfs/dbraw/zinc/25/28/41/575252841.db2.gz RVYZJHBGGUVMRN-UHFFFAOYSA-N -1 3 331.315 3.325 20 10 EGCDHM C[C@H](c1cccc(NC(=O)c2cc([O-])cs2)c1)N1CCOCC1 ZINC000732287484 575255520 /nfs/dbraw/zinc/25/55/20/575255520.db2.gz VRLSKSSOJOYGHH-GFCCVEGCSA-N -1 3 332.425 3.099 20 10 EGCDHM CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354134 575261763 /nfs/dbraw/zinc/26/17/63/575261763.db2.gz FCXKIAAYNWMGHY-JTQLQIEISA-N -1 3 335.381 3.036 20 10 EGCDHM COc1ccc(NC(=O)[C@H](OC(=O)c2cc([O-])cs2)C(C)C)cc1 ZINC000732354936 575261950 /nfs/dbraw/zinc/26/19/50/575261950.db2.gz XGCCWRDAJODDPL-OAHLLOKOSA-N -1 3 349.408 3.282 20 10 EGCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCCC[C@@H]1C ZINC000732354634 575262043 /nfs/dbraw/zinc/26/20/43/575262043.db2.gz OZXXHVRSZVJCHF-FZMZJTMJSA-N -1 3 325.430 3.036 20 10 EGCDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)NC1CCCCCC1 ZINC000732354823 575262054 /nfs/dbraw/zinc/26/20/54/575262054.db2.gz SIWVCJSSIAJFFJ-HNNXBMFYSA-N -1 3 339.457 3.474 20 10 EGCDHM COC(=O)[C@@H](OC(=O)c1cc([O-])cs1)c1cccc(Cl)c1 ZINC000733825838 575395930 /nfs/dbraw/zinc/39/59/30/575395930.db2.gz DDIZAFFQHSSSCR-LBPRGKRZSA-N -1 3 326.757 3.178 20 10 EGCDHM CC[C@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H](C)O1 ZINC000736945442 576064219 /nfs/dbraw/zinc/06/42/19/576064219.db2.gz XUIBNMQNMWDWDD-JSGCOSHPSA-N -1 3 329.396 3.243 20 10 EGCDHM CCO[C@H](C)c1noc(CN(C)Cc2c([O-])ccc3ccncc32)n1 ZINC000743371107 576807216 /nfs/dbraw/zinc/80/72/16/576807216.db2.gz PZBSUXPAVMATKQ-GFCCVEGCSA-N -1 3 342.399 3.053 20 10 EGCDHM CN(Cc1cc(Br)cs1)C(=O)c1cccc(O)c1[O-] ZINC000126177449 1293527352 /nfs/dbraw/zinc/52/73/52/1293527352.db2.gz PDMCVECBNJAZTN-UHFFFAOYSA-N -1 3 342.214 3.194 20 10 EGCDHM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000187154584 1295370805 /nfs/dbraw/zinc/37/08/05/1295370805.db2.gz YVYYARHFKSPXSW-DNVCBOLYSA-N -1 3 341.407 3.304 20 10 EGCDHM COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])c1[O-] ZINC000319168453 1297153340 /nfs/dbraw/zinc/15/33/40/1297153340.db2.gz MRZIECJERTZIPB-CYBMUJFWSA-N -1 3 327.808 3.274 20 10 EGCDHM COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1[O-] ZINC000319168453 1297153342 /nfs/dbraw/zinc/15/33/42/1297153342.db2.gz MRZIECJERTZIPB-CYBMUJFWSA-N -1 3 327.808 3.274 20 10 EGCDHM CCOC[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715819554 1298289070 /nfs/dbraw/zinc/28/90/70/1298289070.db2.gz XKVKDNPXGKKAJR-JTQLQIEISA-N -1 3 332.213 3.152 20 10 EGCDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876652647 1298898421 /nfs/dbraw/zinc/89/84/21/1298898421.db2.gz GHIZDQODICVQOA-NSHDSACASA-N -1 3 342.386 3.017 20 10 EGCDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](CO)c2ccccc2)c1[O-] ZINC000750979079 1299490263 /nfs/dbraw/zinc/49/02/63/1299490263.db2.gz MTHUHDFXZQJZKG-KRWDZBQOSA-N -1 3 333.815 3.414 20 10 EGCDHM CCOc1cc2c(cc1NC(=O)c1ccc(C)c(O)c1[O-])O[C@@H](C)C2 ZINC000751535645 1299565128 /nfs/dbraw/zinc/56/51/28/1299565128.db2.gz SFVMNGWENLIRLB-NSHDSACASA-N -1 3 343.379 3.381 20 10 EGCDHM C[C@@H](NCc1cnn(CC(F)(F)F)c1)c1cc(F)cc(F)c1[O-] ZINC000756659138 1300543783 /nfs/dbraw/zinc/54/37/83/1300543783.db2.gz NAONSOUAZTXXMF-MRVPVSSYSA-N -1 3 335.276 3.280 20 10 EGCDHM COc1c([O-])c(CN(Cc2ccccn2)C(C)C)ccc1[N+](=O)[O-] ZINC000774846121 1303866425 /nfs/dbraw/zinc/86/64/25/1303866425.db2.gz MYMWMAXHYRTJQK-UHFFFAOYSA-N -1 3 331.372 3.115 20 10 EGCDHM COc1c([O-])c(CNc2ccc(-n3cccn3)cc2)ccc1[N+](=O)[O-] ZINC000774914359 1303878330 /nfs/dbraw/zinc/87/83/30/1303878330.db2.gz HKNGRRIJGROHKS-UHFFFAOYSA-N -1 3 340.339 3.107 20 10 EGCDHM Cc1ccnc(-c2n[nH]c([C@H](C)NCc3cccc(Cl)c3[O-])n2)c1 ZINC000787330154 1305733562 /nfs/dbraw/zinc/73/35/62/1305733562.db2.gz AGOSQPZRILOPCP-NSHDSACASA-N -1 3 343.818 3.385 20 10 EGCDHM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000790600170 1306357795 /nfs/dbraw/zinc/35/77/95/1306357795.db2.gz BIXXFUKDASQOMF-BEFAXECRSA-N -1 3 341.407 3.338 20 10 EGCDHM O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cccc(O)c1[O-] ZINC000790703474 1308853836 /nfs/dbraw/zinc/85/38/36/1308853836.db2.gz ZLGPXWWGMHEAQG-UHFFFAOYSA-N -1 3 331.328 3.008 20 10 EGCDHM CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000790923243 1308886918 /nfs/dbraw/zinc/88/69/18/1308886918.db2.gz UENPVSKYRVNCKK-QLJPJBMISA-N -1 3 335.787 3.257 20 10 EGCDHM O=C(Nc1ccc(OC(F)F)c2cccnc12)c1cccc(O)c1[O-] ZINC000790939521 1308890727 /nfs/dbraw/zinc/89/07/27/1308890727.db2.gz CXAKOWOGNDTYHB-UHFFFAOYSA-N -1 3 346.289 3.500 20 10 EGCDHM COC(=O)CCC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792167605 1309135159 /nfs/dbraw/zinc/13/51/59/1309135159.db2.gz LJBJKTBCHMFIKE-UHFFFAOYSA-N -1 3 329.799 3.350 20 10 EGCDHM COc1ccc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)c(O)c1 ZINC000794378560 1309513677 /nfs/dbraw/zinc/51/36/77/1309513677.db2.gz VDKOGVUAMMETHJ-UHFFFAOYSA-N -1 3 343.276 3.087 20 10 EGCDHM COc1ccc([C@@H](NCc2ccc(N(C)C)cc2C)C(=O)[O-])cc1F ZINC000901860345 1317488325 /nfs/dbraw/zinc/48/83/25/1317488325.db2.gz IXKGRWQSPMOWGY-GOSISDBHSA-N -1 3 346.402 3.124 20 10 EGCDHM COC[C@@H]1COCCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000902563042 1317593976 /nfs/dbraw/zinc/59/39/76/1317593976.db2.gz IHDMNKDBIOWJCO-CQSZACIVSA-N -1 3 327.380 3.139 20 10 EGCDHM [O-]c1cc(Br)ccc1CN1CCOC2(CCCC2)C1 ZINC000824849642 1320291308 /nfs/dbraw/zinc/29/13/08/1320291308.db2.gz GPUZLPWEQULLFH-UHFFFAOYSA-N -1 3 326.234 3.300 20 10 EGCDHM COc1ccc(N(CC2CC2)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000836840690 1320540837 /nfs/dbraw/zinc/54/08/37/1320540837.db2.gz NTXZEROECQTHTO-UHFFFAOYSA-N -1 3 327.380 3.472 20 10 EGCDHM C[C@@H](N[C@@H](C)c1ccn(C)n1)c1cc(Br)cc(F)c1[O-] ZINC000840816454 1321155312 /nfs/dbraw/zinc/15/53/12/1321155312.db2.gz NLQSHWDYSRMLCC-BDAKNGLRSA-N -1 3 342.212 3.439 20 10 EGCDHM [O-]c1c(Br)cccc1CN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840956350 1321185620 /nfs/dbraw/zinc/18/56/20/1321185620.db2.gz RBQGWPOWSAXGHO-GOEBONIOSA-N -1 3 348.240 3.463 20 10 EGCDHM C[C@]1(Cc2ccccc2F)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000843993882 1321565625 /nfs/dbraw/zinc/56/56/25/1321565625.db2.gz ILDSDDRXXKUXFE-LJQANCHMSA-N -1 3 329.371 3.474 20 10 EGCDHM CCN(CC)c1ccc(CN(C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000849194081 1322096301 /nfs/dbraw/zinc/09/63/01/1322096301.db2.gz ZKHYITVGOAGUBQ-UHFFFAOYSA-N -1 3 328.412 3.216 20 10 EGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000928250733 1328257010 /nfs/dbraw/zinc/25/70/10/1328257010.db2.gz ANRBLDIOKNQBAW-NSHDSACASA-N -1 3 344.436 3.063 20 10 EGCDHM C[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)CC[C@@]1(C)O ZINC001233027043 1376556587 /nfs/dbraw/zinc/55/65/87/1376556587.db2.gz KQNQQFYUSYMXFA-ZUZCIYMTSA-N -1 3 346.240 3.277 20 10 EGCDHM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC001191695248 1367563019 /nfs/dbraw/zinc/56/30/19/1367563019.db2.gz NAFBAYNMNSVQBP-UHFFFAOYSA-N -1 3 339.388 3.464 20 10 EGCDHM CN(C)c1ccc(-c2nc(C(=O)Nc3cncc([O-])c3)cs2)cc1 ZINC001193163643 1367957257 /nfs/dbraw/zinc/95/72/57/1367957257.db2.gz APKNIHCMFVXUFI-UHFFFAOYSA-N -1 3 340.408 3.229 20 10 EGCDHM O=C(Nc1cc2ccccc2oc1=O)c1ccc([O-])c(O)c1Cl ZINC001193209577 1367967645 /nfs/dbraw/zinc/96/76/45/1367967645.db2.gz MKXWZWYGSMDZFD-UHFFFAOYSA-N -1 3 331.711 3.110 20 10 EGCDHM Cc1cc(C)n(-c2ccc(-c3noc(-c4cccc(O)c4[O-])n3)cn2)n1 ZINC001215145695 1373177782 /nfs/dbraw/zinc/17/77/82/1373177782.db2.gz CRIZTQUQMGEWDO-UHFFFAOYSA-N -1 3 349.350 3.012 20 10 EGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(OC3CC3)cc2)no1 ZINC001215325342 1373197630 /nfs/dbraw/zinc/19/76/30/1373197630.db2.gz NJLAVEXGTOXYSO-UHFFFAOYSA-N -1 3 326.308 3.062 20 10 EGCDHM O=C1c2cccc(OC3CC(F)(F)C3)c2C(=O)c2cccc([O-])c21 ZINC001229186316 1375783752 /nfs/dbraw/zinc/78/37/52/1375783752.db2.gz JHWCQWGUJHJFNH-UHFFFAOYSA-N -1 3 330.286 3.344 20 10 EGCDHM O=C1c2ccccc2CN1[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231913593 1376350044 /nfs/dbraw/zinc/35/00/44/1376350044.db2.gz OIZUBNHONDTXQM-HNNXBMFYSA-N -1 3 342.826 3.276 20 10 EGCDHM CCCCN(CC(=O)OCC)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269343 1376427902 /nfs/dbraw/zinc/42/79/02/1376427902.db2.gz WKQNZNDRZBYUTL-UHFFFAOYSA-N -1 3 329.824 3.219 20 10 EGCDHM CCCc1noc([C@@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233078052 1376565787 /nfs/dbraw/zinc/56/57/87/1376565787.db2.gz FDSCBSWAVCDWDA-GFCCVEGCSA-N -1 3 337.370 3.386 20 10 EGCDHM [O-]c1ccc(F)c(F)c1CN1CCN(CCc2cccs2)CC1 ZINC001233334368 1376620055 /nfs/dbraw/zinc/62/00/55/1376620055.db2.gz CZHAERJHUYDCKA-UHFFFAOYSA-N -1 3 338.423 3.092 20 10 EGCDHM [O-]c1c(F)ccc(F)c1CN1CCC(COc2cccnc2)CC1 ZINC001139685688 1377933600 /nfs/dbraw/zinc/93/36/00/1377933600.db2.gz SXAFQNLXDFCZNL-UHFFFAOYSA-N -1 3 334.366 3.356 20 10 EGCDHM CN(C(=O)OC(C)(C)C)C1CN(Cc2c([O-])cccc2Cl)C1 ZINC001140337754 1378048449 /nfs/dbraw/zinc/04/84/49/1378048449.db2.gz CMTBSHRTOVHPAU-UHFFFAOYSA-N -1 3 326.824 3.097 20 10 EGCDHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1cc(F)c(F)cc1[O-] ZINC001142534572 1378455461 /nfs/dbraw/zinc/45/54/61/1378455461.db2.gz OKKWFDMELUDMKQ-PWSUYJOCSA-N -1 3 342.386 3.158 20 10 EGCDHM O=C(CC1CCC(O)CC1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001144352083 1378719312 /nfs/dbraw/zinc/71/93/12/1378719312.db2.gz AOHNNIJFVGQILL-UHFFFAOYSA-N -1 3 348.830 3.151 20 10 EGCDHM [O-]c1c(CNc2ncc3c(n2)CCCN3)cc(Cl)c2cccnc12 ZINC001157726731 1381016225 /nfs/dbraw/zinc/01/62/25/1381016225.db2.gz WJCIJMGZKGAVOA-UHFFFAOYSA-N -1 3 341.802 3.354 20 10 EGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC001174564490 1385120199 /nfs/dbraw/zinc/12/01/99/1385120199.db2.gz NBTSPRLYDVXXJM-UHFFFAOYSA-N -1 3 347.223 3.390 20 10 EGCDHM Cc1cccnc1CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177460760 1385964523 /nfs/dbraw/zinc/96/45/23/1385964523.db2.gz DTHJAXQJDJXWKN-UHFFFAOYSA-N -1 3 341.798 3.156 20 10 EGCDHM COc1cc(Cl)cc(CN2CCc3ccccc3[C@H]2C(=O)[O-])c1O ZINC000325629975 971231719 /nfs/dbraw/zinc/23/17/19/971231719.db2.gz WECOSSYMHSIISH-INIZCTEOSA-N -1 3 347.798 3.238 20 10 EGCDHM COc1cc(Cl)cc(C[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c1[O-] ZINC000325629975 971231724 /nfs/dbraw/zinc/23/17/24/971231724.db2.gz WECOSSYMHSIISH-INIZCTEOSA-N -1 3 347.798 3.238 20 10 EGCDHM COc1cc(Cl)cc(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c1[O-] ZINC000325629975 971231732 /nfs/dbraw/zinc/23/17/32/971231732.db2.gz WECOSSYMHSIISH-INIZCTEOSA-N -1 3 347.798 3.238 20 10 EGCDHM Cc1cc(Br)cc(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000818630482 955421539 /nfs/dbraw/zinc/42/15/39/955421539.db2.gz LLQWIGLXGGNSFO-GFCCVEGCSA-N -1 3 344.249 3.300 20 10 EGCDHM Cc1cc(Br)cc(C[NH2+]CCCCCC(=O)[O-])c1[O-] ZINC000840995394 955581913 /nfs/dbraw/zinc/58/19/13/955581913.db2.gz GTYFWIREFCBYPH-UHFFFAOYSA-N -1 3 330.222 3.198 20 10 EGCDHM Cc1cc(Br)cc(C[NH+]2CCC(C)(C(=O)[O-])CC2)c1[O-] ZINC000843040116 969234604 /nfs/dbraw/zinc/23/46/04/969234604.db2.gz GISKZEBSXFBKQR-UHFFFAOYSA-N -1 3 342.233 3.150 20 10 EGCDHM C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592783511 979424003 /nfs/dbraw/zinc/42/40/03/979424003.db2.gz YGOLYQQYSINSNW-NEPJUHHUSA-N -1 3 333.359 3.348 20 10 EGCDHM