smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001588905906 962271140 /nfs/dbraw/zinc/27/11/40/962271140.db2.gz ZAIAJRQUWUUPAG-SFHVURJKSA-N -1 3 343.423 3.560 20 10 EHCDHM CCN(CC)c1ccc(CNCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001596288367 983707932 /nfs/dbraw/zinc/70/79/32/983707932.db2.gz NWZCPDXJSAICKL-UHFFFAOYSA-N -1 3 330.403 3.660 20 10 EHCDHM COC[C@@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC001599173070 998632446 /nfs/dbraw/zinc/63/24/46/998632446.db2.gz KWXYGDQXRRAASC-MEDUHNTESA-N -1 3 349.814 3.782 20 10 EHCDHM C[C@@H](N[C@H]1CCOc2c(F)cccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000277004591 1023674795 /nfs/dbraw/zinc/67/47/95/1023674795.db2.gz ZWSYHFCADZZNPE-BMIGLBTASA-N -1 3 332.331 3.614 20 10 EHCDHM Cc1cc([O-])c(CN[C@H](C)c2noc(COC(C)C)n2)c(Cl)c1 ZINC000840948549 1027902582 /nfs/dbraw/zinc/90/25/82/1027902582.db2.gz VHMUOQVBULCHPA-LLVKDONJSA-N -1 3 339.823 3.513 20 10 EHCDHM [O-]c1c(CN[C@H](CO)c2ccccc2C(F)(F)F)ccc(F)c1F ZINC000897330595 1028317398 /nfs/dbraw/zinc/31/73/98/1028317398.db2.gz ZFMZOQIWJVTTJU-CYBMUJFWSA-N -1 3 347.283 3.512 20 10 EHCDHM C[C@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000186652716 1035679039 /nfs/dbraw/zinc/67/90/39/1035679039.db2.gz DQUVSJOJWCLNBF-HXPMCKFVSA-N -1 3 343.377 3.844 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CNC2(c3cccc(F)c3)CC2)c1[O-] ZINC000152873133 1037788656 /nfs/dbraw/zinc/78/86/56/1037788656.db2.gz FKIIJVNSQAYJGN-UHFFFAOYSA-N -1 3 336.750 3.872 20 10 EHCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c2ccccc12 ZINC000182477399 1125312960 /nfs/dbraw/zinc/31/29/60/1125312960.db2.gz MQVMZSGNIDJSLW-UHFFFAOYSA-N -1 3 343.404 3.663 20 10 EHCDHM CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(Cl)ccc1[O-] ZINC000742443665 1131727957 /nfs/dbraw/zinc/72/79/57/1131727957.db2.gz NOEMLNKIVORTJR-INIZCTEOSA-N -1 3 336.863 3.979 20 10 EHCDHM Nc1ccc2c(c1Nc1ccc([O-])c(F)c1)C(=O)c1ccccc1C2=O ZINC001174740697 1132455806 /nfs/dbraw/zinc/45/58/06/1132455806.db2.gz GSSRDQOTSPEDDM-UHFFFAOYSA-N -1 3 348.333 3.633 20 10 EHCDHM COc1ccc2cc(C(=O)NCc3c([O-])cccc3F)sc2c1 ZINC001178413695 1133167218 /nfs/dbraw/zinc/16/72/18/1133167218.db2.gz WMOZFTBZNGHFES-UHFFFAOYSA-N -1 3 331.368 3.685 20 10 EHCDHM Cc1c(C(=O)NCc2c([O-])cccc2F)ccn1Cc1ccccc1 ZINC001178413033 1133167326 /nfs/dbraw/zinc/16/73/26/1133167326.db2.gz LARWUHXYLMMDJB-UHFFFAOYSA-N -1 3 338.382 3.620 20 10 EHCDHM CCc1cccc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)c1[O-] ZINC000769725605 1133336198 /nfs/dbraw/zinc/33/61/98/1133336198.db2.gz SCDXMDJYOIAUQX-UHFFFAOYSA-N -1 3 326.440 3.683 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000770664302 1133456065 /nfs/dbraw/zinc/45/60/65/1133456065.db2.gz FVFGOXOBBIQEET-SFHVURJKSA-N -1 3 333.790 3.816 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(C)cc(OC)c2C)c1 ZINC000786953027 1133925064 /nfs/dbraw/zinc/92/50/64/1133925064.db2.gz WUKJZBUKNSNKQJ-CYBMUJFWSA-N -1 3 329.396 3.977 20 10 EHCDHM COc1c([O-])c(CN(Cc2ccccc2F)C(C)C)ccc1[N+](=O)[O-] ZINC000774831145 1134038545 /nfs/dbraw/zinc/03/85/45/1134038545.db2.gz CVSRKUVLPVLYJB-UHFFFAOYSA-N -1 3 348.374 3.859 20 10 EHCDHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cccc(O)c1[O-] ZINC000790485015 1134424804 /nfs/dbraw/zinc/42/48/04/1134424804.db2.gz HSSAHIWUKZNEEE-LBPRGKRZSA-N -1 3 335.812 3.718 20 10 EHCDHM COc1c(Cl)cc(NC(=O)c2cccc(O)c2[O-])cc1Cl ZINC000790622101 1134447071 /nfs/dbraw/zinc/44/70/71/1134447071.db2.gz KYVFRALQPQFTNZ-UHFFFAOYSA-N -1 3 328.151 3.666 20 10 EHCDHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000790890054 1134476808 /nfs/dbraw/zinc/47/68/08/1134476808.db2.gz PNLJIQSQQQAIBU-WBVHZDCISA-N -1 3 325.408 3.815 20 10 EHCDHM Cn1cc([C@H](NCc2c([O-])ccc(Cl)c2F)C(C)(C)C)cn1 ZINC000790975005 1134494087 /nfs/dbraw/zinc/49/40/87/1134494087.db2.gz YIPSUHMWDFOXOG-HNNXBMFYSA-N -1 3 325.815 3.795 20 10 EHCDHM CC1(c2cccc(Cl)c2)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000794340466 1135041370 /nfs/dbraw/zinc/04/13/70/1135041370.db2.gz IDNMXEPUSMJVRN-UHFFFAOYSA-N -1 3 345.826 3.945 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCSC[C@@H]2C2CC2)c1[O-] ZINC001194519938 1135280110 /nfs/dbraw/zinc/28/01/10/1135280110.db2.gz WJSRFPBZCYMBRA-OAHLLOKOSA-N -1 3 325.861 3.576 20 10 EHCDHM COc1ccc(CN(C)Cc2cc(Cl)cc(F)c2[O-])cc1OC ZINC000775643108 1135381805 /nfs/dbraw/zinc/38/18/05/1135381805.db2.gz SRWSWAFEKCQCLK-UHFFFAOYSA-N -1 3 339.794 3.834 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCC[C@@H]1c1cccnc1 ZINC000809728642 1135872630 /nfs/dbraw/zinc/87/26/30/1135872630.db2.gz DKDUOQDMTINBGM-OAHLLOKOSA-N -1 3 333.229 3.887 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)Nc1nc2c(s1)CCCCC2 ZINC001199470553 1135906062 /nfs/dbraw/zinc/90/60/62/1135906062.db2.gz GMFCBLFAHZCREZ-UHFFFAOYSA-N -1 3 335.404 3.578 20 10 EHCDHM O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(O)c1[O-] ZINC000776615689 1136475345 /nfs/dbraw/zinc/47/53/45/1136475345.db2.gz VPFALTIEXWTDBU-UHFFFAOYSA-N -1 3 345.358 3.893 20 10 EHCDHM CCCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1OCCC ZINC001135520231 1136700958 /nfs/dbraw/zinc/70/09/58/1136700958.db2.gz XNGNKEPIUCAXFT-UHFFFAOYSA-N -1 3 345.395 3.928 20 10 EHCDHM CC[C@@H](N[C@H](C)c1ncc(C(=O)OC)s1)c1ccc(F)cc1[O-] ZINC000818357020 1136875827 /nfs/dbraw/zinc/87/58/27/1136875827.db2.gz URFQYMBAJOUOEX-BXKDBHETSA-N -1 3 338.404 3.576 20 10 EHCDHM C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631779 1136886590 /nfs/dbraw/zinc/88/65/90/1136886590.db2.gz PVMIEZYIXYAZFZ-AUUYWEPGSA-N -1 3 325.408 3.744 20 10 EHCDHM C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631779 1136886595 /nfs/dbraw/zinc/88/65/95/1136886595.db2.gz PVMIEZYIXYAZFZ-AUUYWEPGSA-N -1 3 325.408 3.744 20 10 EHCDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])C[C@H](C)C1(F)F ZINC000862442271 1137145120 /nfs/dbraw/zinc/14/51/20/1137145120.db2.gz HISZSEPWPFLSES-UWVGGRQHSA-N -1 3 334.204 3.878 20 10 EHCDHM Cc1cc([O-])c(CN2CCc3nc(C4CC4)ncc3C2)cc1Cl ZINC000862507504 1137147534 /nfs/dbraw/zinc/14/75/34/1137147534.db2.gz GUFIRANLLONZHV-UHFFFAOYSA-N -1 3 329.831 3.580 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@]3(CC3(F)F)C2)c1[O-] ZINC000844440768 1137223982 /nfs/dbraw/zinc/22/39/82/1137223982.db2.gz UAGNEOOASWLSMM-HNNXBMFYSA-N -1 3 329.774 3.869 20 10 EHCDHM CN(C(=O)c1cccc(O)c1[O-])C(c1ccccc1)c1ccccc1 ZINC001148212706 1137419626 /nfs/dbraw/zinc/41/96/26/1137419626.db2.gz GZPYRFDHMDTISL-UHFFFAOYSA-N -1 3 333.387 3.959 20 10 EHCDHM O=C(Nc1ccn2cc(-c3ccccc3)nc2c1)c1cccc(O)c1[O-] ZINC001148212207 1137419634 /nfs/dbraw/zinc/41/96/34/1137419634.db2.gz QYANDTAOUOIOLH-UHFFFAOYSA-N -1 3 345.358 3.665 20 10 EHCDHM Cc1cc([O-])c([C@@H]2NC(C)(C)C(=O)N2c2ccccc2)cc1Cl ZINC000877857337 1137693652 /nfs/dbraw/zinc/69/36/52/1137693652.db2.gz PKMGWBCKDDKNBG-MRXNPFEDSA-N -1 3 330.815 3.768 20 10 EHCDHM Cc1ccc2c(c1)C(=O)N[C@H](c1cc(C)cc(Br)c1[O-])N2 ZINC000877862436 1137693976 /nfs/dbraw/zinc/69/39/76/1137693976.db2.gz KRFRDVRBSLGTDH-OAHLLOKOSA-N -1 3 347.212 3.626 20 10 EHCDHM Cc1c(CS(C)(=O)=O)cccc1NCc1c([O-])cccc1Cl ZINC000116925050 1137928242 /nfs/dbraw/zinc/92/82/42/1137928242.db2.gz MIKAFAREOMLJPV-UHFFFAOYSA-N -1 3 339.844 3.511 20 10 EHCDHM [O-]c1ccc(Br)cc1CN1CCOc2ccccc2C1 ZINC000134098470 1137939947 /nfs/dbraw/zinc/93/99/47/1137939947.db2.gz DURBXHUVBVJLCE-UHFFFAOYSA-N -1 3 334.213 3.549 20 10 EHCDHM Cc1cnc([C@H](C)NCc2cccc(Br)c2[O-])s1 ZINC000134906815 1137961420 /nfs/dbraw/zinc/96/14/20/1137961420.db2.gz OSXWYWLAKKZOPI-VIFPVBQESA-N -1 3 327.247 3.770 20 10 EHCDHM COCCOc1cc(C)ccc1CN[C@@H](C)c1c([O-])cccc1F ZINC000886539049 1138093125 /nfs/dbraw/zinc/09/31/25/1138093125.db2.gz SCZKBYYQAPKECA-AWEZNQCLSA-N -1 3 333.403 3.716 20 10 EHCDHM C[C@@H](Nc1cccc([C@@]2(C)COC(=O)N2)c1)c1c([O-])cccc1F ZINC000886652050 1138107565 /nfs/dbraw/zinc/10/75/65/1138107565.db2.gz XUXIRVYQKMIATQ-ADLMAVQZSA-N -1 3 330.359 3.659 20 10 EHCDHM Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1ccc(F)cc1[O-] ZINC000186481003 1140206716 /nfs/dbraw/zinc/20/67/16/1140206716.db2.gz YXCGWWHUMSNZOT-LBPRGKRZSA-N -1 3 330.359 3.969 20 10 EHCDHM COc1cc2c(cc1N[C@@H](C)c1ccc(F)cc1[O-])NC(=O)CC2 ZINC000274447587 1141531291 /nfs/dbraw/zinc/53/12/91/1141531291.db2.gz YJOJBOKNHHZHQO-JTQLQIEISA-N -1 3 330.359 3.598 20 10 EHCDHM C[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598530857 992778950 /nfs/dbraw/zinc/77/89/50/992778950.db2.gz WDXOZNHHISSNBO-HNNXBMFYSA-N -1 3 339.313 3.669 20 10 EHCDHM C[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598530857 992778955 /nfs/dbraw/zinc/77/89/55/992778955.db2.gz WDXOZNHHISSNBO-HNNXBMFYSA-N -1 3 339.313 3.669 20 10 EHCDHM C[C@H]([NH2+]Cc1cc2c(s1)CCCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593291871 994671892 /nfs/dbraw/zinc/67/18/92/994671892.db2.gz DMDTXIKIOFPTTK-NSHDSACASA-N -1 3 331.437 3.882 20 10 EHCDHM Cn1ncc2c1CC(C)(C)CN(Cc1c([O-])ccc(Cl)c1F)C2 ZINC000828019609 1022186416 /nfs/dbraw/zinc/18/64/16/1022186416.db2.gz WYKYZHBGUZSBIX-UHFFFAOYSA-N -1 3 337.826 3.503 20 10 EHCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001142520268 1033189818 /nfs/dbraw/zinc/18/98/18/1033189818.db2.gz FCKPTOHHQRYEQY-LBPRGKRZSA-N -1 3 341.304 3.602 20 10 EHCDHM CC(C)O[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000404586966 1029811231 /nfs/dbraw/zinc/81/12/31/1029811231.db2.gz VDPOCZSNXPNYNH-ZDUSSCGKSA-N -1 3 328.250 3.544 20 10 EHCDHM [O-]c1c(F)cccc1CN1CCC(O)(c2ccccc2Cl)CC1 ZINC000278380752 1030496602 /nfs/dbraw/zinc/49/66/02/1030496602.db2.gz LRNLTDWNRPBVSD-UHFFFAOYSA-N -1 3 335.806 3.668 20 10 EHCDHM Cc1cc(Br)c([O-])c(CN[C@@H](C)c2ncccc2F)c1 ZINC000527827532 1031294635 /nfs/dbraw/zinc/29/46/35/1031294635.db2.gz DZVOWWCRITUHRF-JTQLQIEISA-N -1 3 339.208 3.848 20 10 EHCDHM Cc1ccc(C(=O)Nc2cnn(CC(C)C)c2C(C)C)c([O-])c1O ZINC000781001794 1031323207 /nfs/dbraw/zinc/32/32/07/1031323207.db2.gz PDPOIFJYZBRAFL-UHFFFAOYSA-N -1 3 331.416 3.634 20 10 EHCDHM Cc1ccc(C(=O)Nc2cccc(C3CCOCC3)c2)c([O-])c1O ZINC000529936710 1034765741 /nfs/dbraw/zinc/76/57/41/1034765741.db2.gz UTXOIYLNTWEEQR-UHFFFAOYSA-N -1 3 327.380 3.553 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN1CCC(OCc2ccccc2)CC1 ZINC000893915227 1039823016 /nfs/dbraw/zinc/82/30/16/1039823016.db2.gz SCTYWZJDQMLTBO-UHFFFAOYSA-N -1 3 333.378 3.852 20 10 EHCDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc([O-])c2ccccc2c1 ZINC000472219995 1127924777 /nfs/dbraw/zinc/92/47/77/1127924777.db2.gz CQOHLOGNWSGMMH-UHFFFAOYSA-N -1 3 348.402 3.651 20 10 EHCDHM Cc1c(Cl)ncnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168523517 1122745473 /nfs/dbraw/zinc/74/54/73/1122745473.db2.gz DUSVGPQKIXHBKQ-UHFFFAOYSA-N -1 3 335.194 3.958 20 10 EHCDHM CC(C)c1ccc(C(=O)NCCCSc2nccs2)c([O-])c1 ZINC000734358167 1131224874 /nfs/dbraw/zinc/22/48/74/1131224874.db2.gz ANXLTHUNXSRWHN-UHFFFAOYSA-N -1 3 336.482 3.884 20 10 EHCDHM COc1ccc(NCc2c([O-])cccc2Cl)cc1N1CCOC1=O ZINC000770412303 1133425251 /nfs/dbraw/zinc/42/52/51/1133425251.db2.gz XCIQRGJDTCPZTI-UHFFFAOYSA-N -1 3 348.786 3.623 20 10 EHCDHM COc1c([O-])c(CN(C)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774821671 1134032638 /nfs/dbraw/zinc/03/26/38/1134032638.db2.gz FWYOKHSEETZIBZ-UHFFFAOYSA-N -1 3 336.775 3.594 20 10 EHCDHM COc1c([O-])c(CN2CCCc3c(C)cccc32)ccc1[N+](=O)[O-] ZINC000775058317 1134270327 /nfs/dbraw/zinc/27/03/27/1134270327.db2.gz WTGYUPXSBJSLAP-UHFFFAOYSA-N -1 3 328.368 3.570 20 10 EHCDHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000790522388 1134430821 /nfs/dbraw/zinc/43/08/21/1134430821.db2.gz DLQLLFQFRUTILU-JTQLQIEISA-N -1 3 339.313 3.950 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1ccc(F)cc1F ZINC000790896406 1134476722 /nfs/dbraw/zinc/47/67/22/1134476722.db2.gz GOQOXRCWQVXTFZ-HNNXBMFYSA-N -1 3 333.334 3.743 20 10 EHCDHM CC[C@H](NCc1csc(N(C)C)n1)c1cccc(Cl)c1[O-] ZINC000806143348 1135483323 /nfs/dbraw/zinc/48/33/23/1135483323.db2.gz UQKOLFPKKDSPOM-ZDUSSCGKSA-N -1 3 325.865 3.809 20 10 EHCDHM CN(Cc1cccc(Cl)c1[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000775706679 1135543973 /nfs/dbraw/zinc/54/39/73/1135543973.db2.gz CBXGBTCHNJVCMH-KRWDZBQOSA-N -1 3 344.842 3.673 20 10 EHCDHM [O-]c1cccnc1CNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC001201170819 1135991830 /nfs/dbraw/zinc/99/18/30/1135991830.db2.gz YGTFBYUDTDQGOQ-UHFFFAOYSA-N -1 3 328.224 3.581 20 10 EHCDHM O=C(Nc1ncc(Cc2ccccc2F)s1)c1cccc(O)c1[O-] ZINC000776337026 1136158053 /nfs/dbraw/zinc/15/80/53/1136158053.db2.gz YDQMSSGQHQLALK-UHFFFAOYSA-N -1 3 344.367 3.537 20 10 EHCDHM O=C(Nc1nc2ccccc2n1C1CCCC1)c1cccc(O)c1[O-] ZINC000776349251 1136162184 /nfs/dbraw/zinc/16/21/84/1136162184.db2.gz BIFLQYQSIQTDFM-UHFFFAOYSA-N -1 3 337.379 3.815 20 10 EHCDHM COC(=O)c1cnc([C@@H](C)N[C@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000818357110 1136875858 /nfs/dbraw/zinc/87/58/58/1136875858.db2.gz VPLHUDZFASIJQR-RKDXNWHRSA-N -1 3 340.832 3.701 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc3c2OCCCO3)c1 ZINC000866618584 1137370181 /nfs/dbraw/zinc/37/01/81/1137370181.db2.gz GSYSMZDQEIWGMM-LBPRGKRZSA-N -1 3 343.379 3.513 20 10 EHCDHM COc1cccc(Cc2nnc(NCc3c([O-])cccc3Cl)o2)c1 ZINC000794967273 1137382070 /nfs/dbraw/zinc/38/20/70/1137382070.db2.gz XZXGSHLNEINBFD-UHFFFAOYSA-N -1 3 345.786 3.640 20 10 EHCDHM O=C(Nc1cccc(-c2cccs2)c1)c1cc(O)c([O-])c(O)c1 ZINC001148585863 1137428901 /nfs/dbraw/zinc/42/89/01/1137428901.db2.gz BMFBXCDRJALJNT-UHFFFAOYSA-N -1 3 327.361 3.784 20 10 EHCDHM O=c1cc(NCc2cc3ccccc3cc2[O-])cnn1-c1ccccc1 ZINC001171407696 1137473457 /nfs/dbraw/zinc/47/34/57/1137473457.db2.gz UHAHKIHTDALKMP-UHFFFAOYSA-N -1 3 343.386 3.703 20 10 EHCDHM Cc1ccc2c(c1)C(=O)N(C)[C@H](c1c([O-])cccc1Br)N2 ZINC000877853965 1137693438 /nfs/dbraw/zinc/69/34/38/1137693438.db2.gz LBQHAJNPVLYPEY-OAHLLOKOSA-N -1 3 347.212 3.659 20 10 EHCDHM C[C@@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1c([O-])cccc1F ZINC000886585687 1138099271 /nfs/dbraw/zinc/09/92/71/1138099271.db2.gz DFDLYZSZUMMGFJ-UONOGXRCSA-N -1 3 330.403 3.930 20 10 EHCDHM C[C@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1c([O-])cccc1F ZINC000886623987 1138103191 /nfs/dbraw/zinc/10/31/91/1138103191.db2.gz VAYVDVVNRAHTJK-AUYAEMIRSA-N -1 3 337.416 3.517 20 10 EHCDHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cccc(Cl)c1[O-] ZINC000180678284 1139855315 /nfs/dbraw/zinc/85/53/15/1139855315.db2.gz QIHDNHWLPGHADR-IPQOISQHSA-N -1 3 337.872 3.976 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN(Cc2cccnc2)C2CC2)c1[O-] ZINC000180727056 1139859835 /nfs/dbraw/zinc/85/98/35/1139859835.db2.gz FAFZXLULVAGIHW-UHFFFAOYSA-N -1 3 330.815 3.808 20 10 EHCDHM C[C@@H](C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1)C(=O)[O-] ZINC000833516185 605750437 /nfs/dbraw/zinc/75/04/37/605750437.db2.gz HFLOYYZWANUYSW-AWEZNQCLSA-N -1 3 325.408 3.744 20 10 EHCDHM C[C@@H](C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1)C(=O)[O-] ZINC000833516185 605750438 /nfs/dbraw/zinc/75/04/38/605750438.db2.gz HFLOYYZWANUYSW-AWEZNQCLSA-N -1 3 325.408 3.744 20 10 EHCDHM Oc1ccc(-c2ccccc2)cc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826510705 608872881 /nfs/dbraw/zinc/87/28/81/608872881.db2.gz GSRNVQRCRQTHPU-UHFFFAOYSA-N -1 3 343.390 3.851 20 10 EHCDHM Oc1ccc(-c2ccccc2)cc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826510705 608872884 /nfs/dbraw/zinc/87/28/84/608872884.db2.gz GSRNVQRCRQTHPU-UHFFFAOYSA-N -1 3 343.390 3.851 20 10 EHCDHM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000756332197 978697874 /nfs/dbraw/zinc/69/78/74/978697874.db2.gz FRISBEOXSZGKDH-GOSISDBHSA-N -1 3 330.403 3.587 20 10 EHCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])c1cccc(Cl)c1F ZINC001625817702 1015640123 /nfs/dbraw/zinc/64/01/23/1015640123.db2.gz NKIFKTVIAOLEGM-UHFFFAOYSA-N -1 3 337.778 3.598 20 10 EHCDHM C[C@H]([NH2+]CCCCN(C)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593264333 994564945 /nfs/dbraw/zinc/56/49/45/994564945.db2.gz HNDQVXFYBPWADB-HNNXBMFYSA-N -1 3 342.439 3.658 20 10 EHCDHM COC[C@@H](N[C@H](C)c1cc(C(=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC001599173068 998632075 /nfs/dbraw/zinc/63/20/75/998632075.db2.gz KWXYGDQXRRAASC-BDJLRTHQSA-N -1 3 349.814 3.782 20 10 EHCDHM CC[C@H](C)c1nnc([C@H](C)NCc2cc(Cl)cc(F)c2[O-])[nH]1 ZINC000754154828 1016735806 /nfs/dbraw/zinc/73/58/06/1016735806.db2.gz QYUARDPUCHBJGV-IUCAKERBSA-N -1 3 326.803 3.667 20 10 EHCDHM CC[C@H](C)c1nc([C@H](C)NCc2cc(Cl)cc(F)c2[O-])n[nH]1 ZINC000754154828 1016735821 /nfs/dbraw/zinc/73/58/21/1016735821.db2.gz QYUARDPUCHBJGV-IUCAKERBSA-N -1 3 326.803 3.667 20 10 EHCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000151872679 1037810483 /nfs/dbraw/zinc/81/04/83/1037810483.db2.gz CTVCAVVAMSEEEM-UHFFFAOYSA-N -1 3 349.305 3.659 20 10 EHCDHM [O-]c1c(CNc2cnc3ncccc3n2)cc(Cl)c2cccnc12 ZINC001168526988 1126716719 /nfs/dbraw/zinc/71/67/19/1126716719.db2.gz AOALLOOKSPAORF-UHFFFAOYSA-N -1 3 337.770 3.544 20 10 EHCDHM Cc1ccc(C[C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccn2)cc1 ZINC000185666141 1126975087 /nfs/dbraw/zinc/97/50/87/1126975087.db2.gz ZZTLANHYRIFWOH-GOSISDBHSA-N -1 3 348.402 3.515 20 10 EHCDHM Cc1nc(COc2ccc(NCc3c([O-])cccc3Cl)cc2)no1 ZINC000131504512 1128252612 /nfs/dbraw/zinc/25/26/12/1128252612.db2.gz NAXIZXCVHLMJGD-UHFFFAOYSA-N -1 3 345.786 3.928 20 10 EHCDHM COc1cccc([C@@H]2CN(Cc3c([O-])cccc3Cl)CCO2)c1 ZINC000131664209 1128525249 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Cc1nc(NC(=O)c2cccc(O)c2[O-])sc1-c1ccccc1 ZINC000790531803 1134431661 /nfs/dbraw/zinc/43/16/61/1134431661.db2.gz IOVBJEJHUSASSC-UHFFFAOYSA-N -1 3 326.377 3.782 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000790626395 1134447306 /nfs/dbraw/zinc/44/73/06/1134447306.db2.gz ICEFRYCURMDZMO-UHFFFAOYSA-N -1 3 338.190 3.603 20 10 EHCDHM C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1c([O-])ccc(Cl)c1F ZINC000792167398 1134661273 /nfs/dbraw/zinc/66/12/73/1134661273.db2.gz HBYFQOOMIOZOLZ-JTQLQIEISA-N -1 3 346.830 3.530 20 10 EHCDHM CC1(c2ccc(Cl)cc2)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000792492885 1134689107 /nfs/dbraw/zinc/68/91/07/1134689107.db2.gz AUKBMHXFWZNOOS-UHFFFAOYSA-N -1 3 345.826 3.945 20 10 EHCDHM COc1ccc(CN(C)Cc2cc(Cl)cc(F)c2[O-])cc1O ZINC000775664548 1135439920 /nfs/dbraw/zinc/43/99/20/1135439920.db2.gz XTLSWJUOIYSNFD-UHFFFAOYSA-N -1 3 325.767 3.531 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2cc(C3CC3)n(C)n2)c1 ZINC000810165159 1135929441 /nfs/dbraw/zinc/92/94/41/1135929441.db2.gz LGPFDROMHAVLFA-UHFFFAOYSA-N -1 3 336.233 3.686 20 10 EHCDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2cccc(Cl)c2[O-])c1 ZINC000776247182 1136104598 /nfs/dbraw/zinc/10/45/98/1136104598.db2.gz APUQRCVWULVEDP-UHFFFAOYSA-N -1 3 327.167 3.897 20 10 EHCDHM COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1cc(Cl)ccc1[O-])N2 ZINC000106899727 1136155309 /nfs/dbraw/zinc/15/53/09/1136155309.db2.gz XQYNOILNQRQPLL-KRWDZBQOSA-N -1 3 344.798 3.783 20 10 EHCDHM O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1cccc(O)c1[O-] ZINC000776663296 1136531159 /nfs/dbraw/zinc/53/11/59/1136531159.db2.gz QCMRNABLQJMGEJ-UHFFFAOYSA-N -1 3 331.343 3.811 20 10 EHCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCCC[C@H]1c1ccccc1 ZINC000854952678 1136656526 /nfs/dbraw/zinc/65/65/26/1136656526.db2.gz MIWMUDAODBWIDN-RDJZCZTQSA-N -1 3 325.408 3.896 20 10 EHCDHM COc1ccc(CN(Cc2cc(F)cc(C(C)=O)c2[O-])C2CC2)cc1 ZINC000748046019 1136677183 /nfs/dbraw/zinc/67/71/83/1136677183.db2.gz BVLUBGKIPAHRDS-UHFFFAOYSA-N -1 3 343.398 3.907 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(CO)(c2ccccc2)CC1 ZINC000816625007 1136739442 /nfs/dbraw/zinc/73/94/42/1136739442.db2.gz OBNIFHSNCYWPLD-UHFFFAOYSA-N -1 3 349.833 3.711 20 10 EHCDHM CCN(Cc1ccccn1)Cc1cc(Br)c(F)cc1[O-] ZINC001144306499 1137270754 /nfs/dbraw/zinc/27/07/54/1137270754.db2.gz DPCALJUUBNXSJO-UHFFFAOYSA-N -1 3 339.208 3.711 20 10 EHCDHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)cc1 ZINC000882798596 1137834571 /nfs/dbraw/zinc/83/45/71/1137834571.db2.gz VFNMLYFGWRRDHN-UHFFFAOYSA-N -1 3 349.452 3.505 20 10 EHCDHM COc1cc2c(cc1N[C@@H](C)c1c([O-])cccc1F)NC(=O)CC2 ZINC000886591869 1138100358 /nfs/dbraw/zinc/10/03/58/1138100358.db2.gz DHLYYYANEMAAJP-JTQLQIEISA-N -1 3 330.359 3.598 20 10 EHCDHM C[C@@H](Nc1cccc([C@]2(C)COC(=O)N2)c1)c1c([O-])cccc1F ZINC000886652053 1138107456 /nfs/dbraw/zinc/10/74/56/1138107456.db2.gz XUXIRVYQKMIATQ-ZMZPIMSZSA-N -1 3 330.359 3.659 20 10 EHCDHM Cc1cc(N2CCOCC2)ccc1N[C@@H](C)c1ccc(F)cc1[O-] ZINC000186241953 1140193923 /nfs/dbraw/zinc/19/39/23/1140193923.db2.gz VRMVVNFUCAVTFN-AWEZNQCLSA-N -1 3 330.403 3.849 20 10 EHCDHM Cc1cccc(C)c1NC(=O)CN(C)Cc1c([O-])cccc1Cl ZINC000271042773 1141299560 /nfs/dbraw/zinc/29/95/60/1141299560.db2.gz OWYCVWIIOXFSKS-UHFFFAOYSA-N -1 3 332.831 3.733 20 10 EHCDHM C[C@H](N[C@@H]1COc2c1cccc2Cl)c1cc(C(=O)[O-])ccc1O ZINC001593230757 994366369 /nfs/dbraw/zinc/36/63/69/994366369.db2.gz FPFOQHZRWZPABW-LKFCYVNXSA-N -1 3 333.771 3.528 20 10 EHCDHM COc1cc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])ccc1Cl ZINC001599403832 997260421 /nfs/dbraw/zinc/26/04/21/997260421.db2.gz BJDQAZXOEVDIKU-NSHDSACASA-N -1 3 349.814 3.646 20 10 EHCDHM CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599063434 999282585 /nfs/dbraw/zinc/28/25/85/999282585.db2.gz JTLDDGDTHDFBTA-IUUKEHGRSA-N -1 3 347.386 3.656 20 10 EHCDHM CC(C)(C)OC(=O)Nc1ccc(CNCc2c([O-])cccc2F)cn1 ZINC000896641080 1025795698 /nfs/dbraw/zinc/79/56/98/1025795698.db2.gz OSXSKPWJVAYSEJ-UHFFFAOYSA-N -1 3 347.390 3.563 20 10 EHCDHM CCCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278505575 1031158945 /nfs/dbraw/zinc/15/89/45/1031158945.db2.gz OSHKDKIPWQIYSR-UHFFFAOYSA-N -1 3 332.356 3.710 20 10 EHCDHM COc1c([O-])c(CNc2ccccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000278637186 1031770482 /nfs/dbraw/zinc/77/04/82/1031770482.db2.gz HLQXNCBAQKCAKL-UHFFFAOYSA-N -1 3 332.356 3.708 20 10 EHCDHM C[C@@H](N[C@@H](C)c1cc(F)ccc1[O-])c1noc(-c2ccccc2)n1 ZINC000185767926 1035529291 /nfs/dbraw/zinc/52/92/91/1035529291.db2.gz CASROEIYJVUKQJ-NWDGAFQWSA-N -1 3 327.359 3.993 20 10 EHCDHM C[C@@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000363849414 1038681219 /nfs/dbraw/zinc/68/12/19/1038681219.db2.gz GSFVNOQCZDVQLD-YJYMSZOUSA-N -1 3 325.387 3.705 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N(Cc1c(F)cccc1F)C1CCCC1 ZINC000188416177 1039949912 /nfs/dbraw/zinc/94/99/12/1039949912.db2.gz CFZJUEKSEWMKEI-UHFFFAOYSA-N -1 3 347.361 3.961 20 10 EHCDHM CCCOc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278952167 1043073957 /nfs/dbraw/zinc/07/39/57/1043073957.db2.gz ZQJAMGWQXHIWRT-UHFFFAOYSA-N -1 3 332.356 3.710 20 10 EHCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1c1ccccc1 ZINC000185783278 1127010839 /nfs/dbraw/zinc/01/08/39/1127010839.db2.gz PFHSBICPLYAJBF-ZBFHGGJFSA-N -1 3 325.408 3.754 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N(CCc1cccc(F)c1)C1CCCC1 ZINC000185833604 1127111450 /nfs/dbraw/zinc/11/14/50/1127111450.db2.gz XVBYOSYQQATSDY-UHFFFAOYSA-N -1 3 343.398 3.864 20 10 EHCDHM Cc1nc2c(NCc3cc(Cl)c4cccnc4c3[O-])cccn2n1 ZINC001168522677 1122482565 /nfs/dbraw/zinc/48/25/65/1122482565.db2.gz TYRASQPLVGWYEM-UHFFFAOYSA-N -1 3 339.786 3.557 20 10 EHCDHM CCc1cc(C)nc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168522822 1122490099 /nfs/dbraw/zinc/49/00/99/1122490099.db2.gz VXYCZNFGFNFZRL-UHFFFAOYSA-N -1 3 328.803 3.867 20 10 EHCDHM COc1cc(NCc2cc(Cl)c3cccnc3c2[O-])c(F)cn1 ZINC001168523304 1122667621 /nfs/dbraw/zinc/66/76/21/1122667621.db2.gz NBRMSXPXMBVVAC-UHFFFAOYSA-N -1 3 333.750 3.749 20 10 EHCDHM CC(C)Oc1ncc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168526048 1124899498 /nfs/dbraw/zinc/89/94/98/1124899498.db2.gz QOMBOWARVIDDQY-UHFFFAOYSA-N -1 3 344.802 3.783 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C)c2)c([O-])c1O ZINC000181830561 1125056258 /nfs/dbraw/zinc/05/62/58/1125056258.db2.gz NIKJVBFVLALLEF-UHFFFAOYSA-N -1 3 326.396 3.567 20 10 EHCDHM Cc1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)c([O-])c1O ZINC000182523334 1125328300 /nfs/dbraw/zinc/32/83/00/1125328300.db2.gz PJHGLBVJIPUALG-UHFFFAOYSA-N -1 3 325.286 3.763 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](c2ccccn2)C2CC2)c1[O-] ZINC000922585785 1129583744 /nfs/dbraw/zinc/58/37/44/1129583744.db2.gz GTAKDABAUBFTAC-OAHLLOKOSA-N -1 3 333.775 3.590 20 10 EHCDHM CN(CC(=O)OC(C)(C)C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000738117787 1131462676 /nfs/dbraw/zinc/46/26/76/1131462676.db2.gz WRLDIGWHCRWYHM-UHFFFAOYSA-N -1 3 345.439 3.791 20 10 EHCDHM Nc1ccc(Cc2ccccc2Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175432638 1132668343 /nfs/dbraw/zinc/66/83/43/1132668343.db2.gz KGVQFPLMQJLLSW-UHFFFAOYSA-N -1 3 342.406 3.783 20 10 EHCDHM COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000804325004 1132763534 /nfs/dbraw/zinc/76/35/34/1132763534.db2.gz NUXHZTAQUAVLLK-BBRMVZONSA-N -1 3 341.407 3.720 20 10 EHCDHM CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001180112166 1133332836 /nfs/dbraw/zinc/33/28/36/1133332836.db2.gz IEEGQLIRCUVAFK-LBPRGKRZSA-N -1 3 341.398 3.614 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CC3(CCCC3)OC(C)(C)C2)c1[O-] ZINC000785537776 1133718312 /nfs/dbraw/zinc/71/83/12/1133718312.db2.gz BUICYWYCYZXWTM-UHFFFAOYSA-N -1 3 335.419 3.658 20 10 EHCDHM CCc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c([O-])c1 ZINC000786742345 1133893582 /nfs/dbraw/zinc/89/35/82/1133893582.db2.gz NDFLMNFMJVXZFF-UHFFFAOYSA-N -1 3 338.451 3.825 20 10 EHCDHM COc1c([O-])c(CNc2ccc(OCC3CC3)cc2)ccc1[N+](=O)[O-] ZINC000774928523 1134135846 /nfs/dbraw/zinc/13/58/46/1134135846.db2.gz UCIWUZJGXIBAGM-UHFFFAOYSA-N -1 3 344.367 3.710 20 10 EHCDHM COc1c([O-])c(CN2CCc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC000775057770 1134267071 /nfs/dbraw/zinc/26/70/71/1134267071.db2.gz RPJHPMMHVYCEPU-UHFFFAOYSA-N -1 3 334.759 3.525 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2ccc3oc(=O)[nH]c3c2)c1 ZINC000789561364 1134301425 /nfs/dbraw/zinc/30/14/25/1134301425.db2.gz BFPYCCHWHVXARA-UHFFFAOYSA-N -1 3 349.184 3.922 20 10 EHCDHM O=S(=O)(CCc1cccc2ccccc21)Nc1ccc([O-])c(F)c1 ZINC001187640196 1134360347 /nfs/dbraw/zinc/36/03/47/1134360347.db2.gz WUXNGGOXRNDJIY-UHFFFAOYSA-N -1 3 345.395 3.669 20 10 EHCDHM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1cccc(O)c1[O-] ZINC000790634341 1134444027 /nfs/dbraw/zinc/44/40/27/1134444027.db2.gz JSCMMBKQWKPAKG-UHFFFAOYSA-N -1 3 347.783 3.522 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1CCc1ccccc1 ZINC000790911554 1134482408 /nfs/dbraw/zinc/48/24/08/1134482408.db2.gz RNIAOQDOMLHZJR-MRXNPFEDSA-N -1 3 325.408 3.725 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cn2cc(Cl)ccc2n1 ZINC000790951188 1134484139 /nfs/dbraw/zinc/48/41/39/1134484139.db2.gz WSNLCYSLMYQVKG-UHFFFAOYSA-N -1 3 340.185 3.776 20 10 EHCDHM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1C(F)(F)F ZINC000811674842 1136121075 /nfs/dbraw/zinc/12/10/75/1136121075.db2.gz JGZASUNFJWNXMR-UHFFFAOYSA-N -1 3 331.315 3.520 20 10 EHCDHM COc1ccncc1CN[C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815628752 1136621225 /nfs/dbraw/zinc/62/12/25/1136621225.db2.gz IOAKHJAFINMVMA-JTQLQIEISA-N -1 3 326.318 3.665 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(OC)c(C)c(OC)c2)c1 ZINC000815631317 1136621572 /nfs/dbraw/zinc/62/15/72/1136621572.db2.gz YRNBSVWPNFWEMV-GFCCVEGCSA-N -1 3 345.395 3.678 20 10 EHCDHM Cc1nc(CNCc2cc(Cl)c(F)cc2[O-])nc2ccccc12 ZINC000816545501 1136732170 /nfs/dbraw/zinc/73/21/70/1136732170.db2.gz STGSFHIPRGHYCZ-UHFFFAOYSA-N -1 3 331.778 3.726 20 10 EHCDHM Cc1cc([C@@H]2CCCN2Cc2c([O-])cccc2Br)on1 ZINC000862227697 1137133358 /nfs/dbraw/zinc/13/33/58/1137133358.db2.gz GJDZPUPIVIVTGY-ZDUSSCGKSA-N -1 3 337.217 3.788 20 10 EHCDHM [O-]c1cc(Br)ccc1CN1CC=C(C(F)(F)F)CC1 ZINC000824855852 1137154907 /nfs/dbraw/zinc/15/49/07/1137154907.db2.gz QSEQGWIYGBLCSY-UHFFFAOYSA-N -1 3 336.151 3.849 20 10 EHCDHM O=c1ccc(NCc2cc3ccccc3cc2[O-])cn1-c1ccncc1 ZINC001171406655 1137473041 /nfs/dbraw/zinc/47/30/41/1137473041.db2.gz CAVRSMIGZRAZMN-UHFFFAOYSA-N -1 3 343.386 3.703 20 10 EHCDHM C[C@@H](NCc1cc(Br)cc(F)c1[O-])c1ccns1 ZINC000715745048 1137477882 /nfs/dbraw/zinc/47/78/82/1137477882.db2.gz JMYJZWJAZNJQTH-SSDOTTSWSA-N -1 3 331.210 3.601 20 10 EHCDHM CCCOc1ccc(CNCc2ccccc2CC(=O)[O-])cc1C ZINC000871877294 1137561882 /nfs/dbraw/zinc/56/18/82/1137561882.db2.gz FAUYPTMKYGPCHF-UHFFFAOYSA-N -1 3 327.424 3.701 20 10 EHCDHM COC(=O)c1oc(CNCc2cc(Cl)cc(Cl)c2[O-])cc1C ZINC000825939952 1137671124 /nfs/dbraw/zinc/67/11/24/1137671124.db2.gz JIZHEVRSRSLYTQ-UHFFFAOYSA-N -1 3 344.194 3.677 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877673759 1137685359 /nfs/dbraw/zinc/68/53/59/1137685359.db2.gz RECFUFAJWAVDNX-PBHICJAKSA-N -1 3 335.806 3.883 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877673836 1137685472 /nfs/dbraw/zinc/68/54/72/1137685472.db2.gz SNMFFUBCBZUPPS-RDJZCZTQSA-N -1 3 335.806 3.883 20 10 EHCDHM C[C@H](NC1(c2ncccn2)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000883311484 1137853954 /nfs/dbraw/zinc/85/39/54/1137853954.db2.gz BGFQLYGXQLDQCO-NSHDSACASA-N -1 3 337.345 3.931 20 10 EHCDHM O=C1CCC[C@@H](c2cccc(NCc3c([O-])cccc3Cl)c2)N1 ZINC000886373232 1138071891 /nfs/dbraw/zinc/07/18/91/1138071891.db2.gz NZBQSZTYXFSVLD-INIZCTEOSA-N -1 3 330.815 3.999 20 10 EHCDHM COc1cc2c(cc1CN[C@@H](C)c1c([O-])cccc1F)O[C@@H](C)C2 ZINC000886500319 1138084535 /nfs/dbraw/zinc/08/45/35/1138084535.db2.gz PEAZLYJQPUURRW-RYUDHWBXSA-N -1 3 331.387 3.714 20 10 EHCDHM C[C@@H](N[C@H](CO)c1cccc(C(F)(F)F)c1)c1c([O-])cccc1F ZINC000886644844 1138105582 /nfs/dbraw/zinc/10/55/82/1138105582.db2.gz LXPCUEAMNWKEGO-QMTHXVAHSA-N -1 3 343.320 3.934 20 10 EHCDHM CC(C)(C)OC(=O)NC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179703871 1139776314 /nfs/dbraw/zinc/77/63/14/1139776314.db2.gz QEISTAXMUOINLF-UHFFFAOYSA-N -1 3 340.851 3.535 20 10 EHCDHM Cc1cc(N[C@@H](C)c2ccc(F)cc2[O-])ccc1N1CCOCC1 ZINC000186527702 1140208855 /nfs/dbraw/zinc/20/88/55/1140208855.db2.gz FQKKMFULNURQQB-AWEZNQCLSA-N -1 3 330.403 3.849 20 10 EHCDHM COc1ncccc1CN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192651951 1140541993 /nfs/dbraw/zinc/54/19/93/1140541993.db2.gz JIIOUVNTUURXQZ-SECBINFHSA-N -1 3 327.211 3.953 20 10 EHCDHM CCc1oc(CN(CC)Cc2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC001597796782 989356108 /nfs/dbraw/zinc/35/61/08/989356108.db2.gz RTMWLWGPBGAAME-UHFFFAOYSA-N -1 3 330.428 3.628 20 10 EHCDHM COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780849519 1019917718 /nfs/dbraw/zinc/91/77/18/1019917718.db2.gz YXTYFRICKPUILK-UHFFFAOYSA-N -1 3 329.396 3.965 20 10 EHCDHM CC(C)n1ncc2cc(CNCc3c([O-])cccc3F)c(Cl)nc21 ZINC000896639716 1025795119 /nfs/dbraw/zinc/79/51/19/1025795119.db2.gz DYHCDRZLMFUSCI-UHFFFAOYSA-N -1 3 348.809 3.800 20 10 EHCDHM COC(=O)c1ccc([C@@H]2CCCN2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142534647 1033344075 /nfs/dbraw/zinc/34/40/75/1033344075.db2.gz 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1134441346 /nfs/dbraw/zinc/44/13/46/1134441346.db2.gz NVYCSXJBSLIWHQ-INIZCTEOSA-N -1 3 325.408 3.501 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H](Cn1cccn1)c1ccccc1 ZINC000790970763 1134487719 /nfs/dbraw/zinc/48/77/19/1134487719.db2.gz FOTYJCINPDYSSP-MRXNPFEDSA-N -1 3 345.805 3.912 20 10 EHCDHM COCCN(Cc1cccs1)Cc1c([O-])ccc(Cl)c1F ZINC000792156730 1134658837 /nfs/dbraw/zinc/65/88/37/1134658837.db2.gz MDDOZGUPTPFHTE-UHFFFAOYSA-N -1 3 329.824 3.895 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1[O-] ZINC000792900346 1134816880 /nfs/dbraw/zinc/81/68/80/1134816880.db2.gz FTZCCRXLQCNQPJ-HIFRSBDPSA-N -1 3 346.229 3.750 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC001198685311 1135847346 /nfs/dbraw/zinc/84/73/46/1135847346.db2.gz IVEITPHYZNVYJI-IAGOWNOFSA-N -1 3 337.847 3.782 20 10 EHCDHM COC(=O)c1cc(CNCc2cc(Cl)cc(Cl)c2[O-])oc1C ZINC000809775508 1135881826 /nfs/dbraw/zinc/88/18/26/1135881826.db2.gz CEQFYYMUXPJTDU-UHFFFAOYSA-N -1 3 344.194 3.677 20 10 EHCDHM COC[C@H](NCc1cc(Cl)cc(F)c1[O-])c1ccc(F)c(F)c1 ZINC001201770315 1136062018 /nfs/dbraw/zinc/06/20/18/1136062018.db2.gz RMUYGBHDXTVKBQ-HNNXBMFYSA-N -1 3 345.748 3.940 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518483 1136098459 /nfs/dbraw/zinc/09/84/59/1136098459.db2.gz LQBOLCROBGGWOA-ZBFHGGJFSA-N -1 3 325.811 3.718 20 10 EHCDHM CC1(C)CN(Cc2cccc(Br)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000811511099 1136102177 /nfs/dbraw/zinc/10/21/77/1136102177.db2.gz VAGZIJFNISCILU-DZGCQCFKSA-N -1 3 340.261 3.544 20 10 EHCDHM O=C(Nc1cccc(C2SCCS2)c1)c1cccc(O)c1[O-] ZINC000776321716 1136155102 /nfs/dbraw/zinc/15/51/02/1136155102.db2.gz VHDCYYVGRPQZMN-UHFFFAOYSA-N -1 3 333.434 3.829 20 10 EHCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000776353658 1136163118 /nfs/dbraw/zinc/16/31/18/1136163118.db2.gz AGTAJMSXVQNQJU-NSHDSACASA-N -1 3 345.370 3.517 20 10 EHCDHM [O-]c1ccc2ccncc2c1CN1CCn2c(cc3ccccc32)C1 ZINC000812300494 1136196701 /nfs/dbraw/zinc/19/67/01/1136196701.db2.gz QSXQJBUECMYIOZ-UHFFFAOYSA-N -1 3 329.403 3.911 20 10 EHCDHM COC[C@@H](NCc1c([O-])ccc(Cl)c1F)c1cccc(OC)c1 ZINC000850362167 1136241072 /nfs/dbraw/zinc/24/10/72/1136241072.db2.gz IMGZYPBRMNXEPB-OAHLLOKOSA-N -1 3 339.794 3.671 20 10 EHCDHM CC[C@@H](CC(F)F)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000851841667 1136413338 /nfs/dbraw/zinc/41/33/38/1136413338.db2.gz WIIHOOWWYXSFQH-NSHDSACASA-N -1 3 349.805 3.702 20 10 EHCDHM O=C([O-])[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CCC1 ZINC000854245940 1136601108 /nfs/dbraw/zinc/60/11/08/1136601108.db2.gz NCGUDQLXMCBJOR-SFHVURJKSA-N -1 3 325.408 3.650 20 10 EHCDHM CC(C)[C@H](NCc1cc(Cl)c(F)cc1[O-])c1nnc2ccccn21 ZINC000816562589 1136737569 /nfs/dbraw/zinc/73/75/69/1136737569.db2.gz RBIBZVDAQZVGFO-INIZCTEOSA-N -1 3 348.809 3.714 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC=C(c3ccccn3)C2)c1[O-] ZINC000846922400 1137375406 /nfs/dbraw/zinc/37/54/06/1137375406.db2.gz WLLNWLFFUXOGJE-UHFFFAOYSA-N -1 3 342.826 3.933 20 10 EHCDHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc(-c2nccs2)cc1 ZINC000846997234 1137380888 /nfs/dbraw/zinc/38/08/88/1137380888.db2.gz VVNQOKWLDACJPP-UHFFFAOYSA-N -1 3 338.436 3.820 20 10 EHCDHM CC(C)c1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])no1 ZINC001147484882 1137408302 /nfs/dbraw/zinc/40/83/02/1137408302.db2.gz UZAKNHQVZBLJHK-UHFFFAOYSA-N -1 3 345.786 3.635 20 10 EHCDHM CC1(C)CN(Cc2ccc(Br)cc2[O-])[C@@H]1[C@H]1CCCO1 ZINC000825943725 1137671887 /nfs/dbraw/zinc/67/18/87/1137671887.db2.gz JAIFXSHDWUAWGQ-HUUCEWRRSA-N -1 3 340.261 3.544 20 10 EHCDHM CCn1nc(C)c(CN(C)Cc2cc(Cl)c(F)cc2[O-])c1C ZINC000877663701 1137684905 /nfs/dbraw/zinc/68/49/05/1137684905.db2.gz GCVNUDHXXVJYEA-UHFFFAOYSA-N -1 3 325.815 3.650 20 10 EHCDHM C[C@H](NCc1cc(F)cc(F)c1[O-])c1nccn1-c1ccccc1 ZINC001202619348 1137887962 /nfs/dbraw/zinc/88/79/62/1137887962.db2.gz SUNBIFVTHDMMRA-LBPRGKRZSA-N -1 3 329.350 3.707 20 10 EHCDHM C[C@H](Nc1cccc([C@]2(C)COC(=O)N2)c1)c1c([O-])cccc1F ZINC000886652052 1138107592 /nfs/dbraw/zinc/10/75/92/1138107592.db2.gz XUXIRVYQKMIATQ-VOJFVSQTSA-N -1 3 330.359 3.659 20 10 EHCDHM CC[C@@H](N[C@H](CCO)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000886803541 1138144392 /nfs/dbraw/zinc/14/43/92/1138144392.db2.gz KNDKYIWZDMTQQO-ZYHUDNBSSA-N -1 3 345.283 3.765 20 10 EHCDHM COCCOc1cc(N[C@@H](C)c2ccc(F)cc2[O-])ccc1OC ZINC000186274836 1140195642 /nfs/dbraw/zinc/19/56/42/1140195642.db2.gz FTLKOTCLBBHVKR-LBPRGKRZSA-N -1 3 335.375 3.738 20 10 EHCDHM COc1ncccc1CN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192651938 1140541893 /nfs/dbraw/zinc/54/18/93/1140541893.db2.gz JIIOUVNTUURXQZ-VIFPVBQESA-N -1 3 327.211 3.953 20 10 EHCDHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC000832239589 605904308 /nfs/dbraw/zinc/90/43/08/605904308.db2.gz LNBSVLMSBDTWAI-MQVJKMGUSA-N -1 3 340.423 3.699 20 10 EHCDHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC000832239589 605904309 /nfs/dbraw/zinc/90/43/09/605904309.db2.gz LNBSVLMSBDTWAI-MQVJKMGUSA-N -1 3 340.423 3.699 20 10 EHCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595747689 982416078 /nfs/dbraw/zinc/41/60/78/982416078.db2.gz IUYNZVJGGGOQPR-GOSISDBHSA-N -1 3 331.387 3.959 20 10 EHCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595747689 982416081 /nfs/dbraw/zinc/41/60/81/982416081.db2.gz IUYNZVJGGGOQPR-GOSISDBHSA-N -1 3 331.387 3.959 20 10 EHCDHM C[C@H]([NH2+]CCc1ccc2ccccc2n1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274984 994627798 /nfs/dbraw/zinc/62/77/98/994627798.db2.gz POVMWSJYWSZWOV-ZDUSSCGKSA-N -1 3 336.391 3.532 20 10 EHCDHM C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593276332 994631732 /nfs/dbraw/zinc/63/17/32/994631732.db2.gz ZJWOIBZTIADFOK-NSHDSACASA-N -1 3 348.468 3.738 20 10 EHCDHM Cc1cc(N2CCOCC2)ccc1NCc1c([O-])cccc1Cl ZINC000155508788 1018091158 /nfs/dbraw/zinc/09/11/58/1018091158.db2.gz OPBYDDFJGISPMC-UHFFFAOYSA-N -1 3 332.831 3.803 20 10 EHCDHM Cc1cccc(C)c1NC(=O)CN(C)Cc1cc(Cl)ccc1[O-] ZINC000160925630 1021026311 /nfs/dbraw/zinc/02/63/11/1021026311.db2.gz XNTALAKVTMZFCI-UHFFFAOYSA-N -1 3 332.831 3.733 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CNCc1nc2c(s1)CCCC2 ZINC000896825170 1026099488 /nfs/dbraw/zinc/09/94/88/1026099488.db2.gz QHNCTAGCEVAFCO-UHFFFAOYSA-N -1 3 326.824 3.810 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2c(F)cccc2F)c1 ZINC000273384872 1027405663 /nfs/dbraw/zinc/40/56/63/1027405663.db2.gz JDQQDIMNMLCEIN-WDEREUQCSA-N -1 3 335.350 3.869 20 10 EHCDHM CCC(=O)Nc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000273471143 1027444572 /nfs/dbraw/zinc/44/45/72/1027444572.db2.gz RXVJTVVLHNVLDZ-GFCCVEGCSA-N -1 3 342.395 3.700 20 10 EHCDHM [O-]c1c(CN[C@@H](CO)c2ccccc2C(F)(F)F)ccc(F)c1F ZINC000897330597 1028317139 /nfs/dbraw/zinc/31/71/39/1028317139.db2.gz ZFMZOQIWJVTTJU-ZDUSSCGKSA-N -1 3 347.283 3.512 20 10 EHCDHM CCOCc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)ccc1OC ZINC000841793293 1029044059 /nfs/dbraw/zinc/04/40/59/1029044059.db2.gz CLQARVDMBDGLKI-MRXNPFEDSA-N -1 3 349.452 3.599 20 10 EHCDHM COc1c([O-])c(CN(Cc2cccs2)C2CC2)ccc1[N+](=O)[O-] ZINC000278189636 1029577606 /nfs/dbraw/zinc/57/76/06/1029577606.db2.gz HUKZBZZLQGJXGU-UHFFFAOYSA-N -1 3 334.397 3.535 20 10 EHCDHM CCOc1ccc([N+](=O)[O-])cc1CNCc1cccc(Cl)c1[O-] ZINC000898219840 1033376362 /nfs/dbraw/zinc/37/63/62/1033376362.db2.gz NNUFLCGVZVBHTI-UHFFFAOYSA-N -1 3 336.775 3.642 20 10 EHCDHM CC(C)(C)OC(=O)Nc1ccc(NCc2cccc(F)c2[O-])cn1 ZINC000281169018 1035335657 /nfs/dbraw/zinc/33/56/57/1035335657.db2.gz MLVGOGQWVQARFS-UHFFFAOYSA-N -1 3 333.363 3.885 20 10 EHCDHM C[C@@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(F)cc1[O-] ZINC000186402791 1039358570 /nfs/dbraw/zinc/35/85/70/1039358570.db2.gz HDVPDPRTQVJVRJ-LLVKDONJSA-N -1 3 339.374 3.693 20 10 EHCDHM Cc1nc(COc2ccc(N[C@@H](C)c3ccc(F)cc3[O-])cc2)no1 ZINC000186449920 1128643475 /nfs/dbraw/zinc/64/34/75/1128643475.db2.gz OBIIQDHYBOLUAR-NSHDSACASA-N -1 3 343.358 3.975 20 10 EHCDHM Cn1cccc1[C@H]1CCCN1Cc1cccc(Br)c1[O-] ZINC000179707556 1123828594 /nfs/dbraw/zinc/82/85/94/1123828594.db2.gz HXAOKFBDFUBTBX-OAHLLOKOSA-N -1 3 335.245 3.830 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCC[C@H]1c1ccccn1 ZINC000768359165 1133129354 /nfs/dbraw/zinc/12/93/54/1133129354.db2.gz ALMNJZXAJVNLCO-HNNXBMFYSA-N -1 3 333.229 3.887 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCC(OCC2CC2)CC1 ZINC000769501358 1133303395 /nfs/dbraw/zinc/30/33/95/1133303395.db2.gz DVJCFGATNSHKBS-UHFFFAOYSA-N -1 3 340.261 3.546 20 10 EHCDHM CC1(C)CN(Cc2ccc(Cl)cc2[O-])C[C@](C)(C(F)(F)F)O1 ZINC001182033236 1133564379 /nfs/dbraw/zinc/56/43/79/1133564379.db2.gz PFUAMERRSHLULK-CQSZACIVSA-N -1 3 337.769 3.977 20 10 EHCDHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(N(C)C)cc1 ZINC000787299532 1133985227 /nfs/dbraw/zinc/98/52/27/1133985227.db2.gz ITOOQIJRDLJLGH-AWEZNQCLSA-N -1 3 344.430 3.797 20 10 EHCDHM COc1c(Cl)cccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774934358 1134137291 /nfs/dbraw/zinc/13/72/91/1134137291.db2.gz HVCPYYKCWVITEY-UHFFFAOYSA-N -1 3 338.747 3.583 20 10 EHCDHM CCSCc1ccnc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000775037658 1134238122 /nfs/dbraw/zinc/23/81/22/1134238122.db2.gz BWKPNVOXXXQLIE-UHFFFAOYSA-N -1 3 349.412 3.569 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000790546500 1134433110 /nfs/dbraw/zinc/43/31/10/1134433110.db2.gz KLCMQWQTSDRBBT-NSHDSACASA-N -1 3 349.789 3.738 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccc(N2CCCCC2)nc1 ZINC000790948754 1134483828 /nfs/dbraw/zinc/48/38/28/1134483828.db2.gz IBYWIANQIFOMRS-UHFFFAOYSA-N -1 3 349.837 3.860 20 10 EHCDHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccc([S@](C)=O)cc1 ZINC000790982876 1134496249 /nfs/dbraw/zinc/49/62/49/1134496249.db2.gz LFVFKKIFBIEJDT-MGUXCZDKSA-N -1 3 341.835 3.773 20 10 EHCDHM Cc1ccccc1-c1nc(CNCc2cc(Cl)ccc2[O-])no1 ZINC000792175105 1134663354 /nfs/dbraw/zinc/66/33/54/1134663354.db2.gz QOJSHYJICWOWBN-UHFFFAOYSA-N -1 3 329.787 3.694 20 10 EHCDHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1 ZINC001191249050 1134836850 /nfs/dbraw/zinc/83/68/50/1134836850.db2.gz MRXJXZUXGYUTAU-UHFFFAOYSA-N -1 3 335.425 3.544 20 10 EHCDHM C[C@H](NCc1nc2cccc(Cl)c2n1C)c1ccc(F)cc1[O-] ZINC000775562955 1135098718 /nfs/dbraw/zinc/09/87/18/1135098718.db2.gz OOOAGBRFDRZJJA-JTQLQIEISA-N -1 3 333.794 3.922 20 10 EHCDHM Cc1cc(O)cc([O-])c1C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001193936597 1135201594 /nfs/dbraw/zinc/20/15/94/1135201594.db2.gz PCSXWPXHZIHTNP-UHFFFAOYSA-N -1 3 348.402 3.835 20 10 EHCDHM COc1ccc(CN(C)Cc2cc(Cl)cc(F)c2[O-])cc1F ZINC000775644121 1135385768 /nfs/dbraw/zinc/38/57/68/1135385768.db2.gz BBENSESBNIVNIO-UHFFFAOYSA-N -1 3 327.758 3.964 20 10 EHCDHM CC[C@@H](NCc1cn(-c2ccccc2)nn1)c1cccc(Cl)c1[O-] ZINC000806147303 1135400931 /nfs/dbraw/zinc/40/09/31/1135400931.db2.gz HNBXRTSVGLIPJU-QGZVFWFLSA-N -1 3 342.830 3.867 20 10 EHCDHM COC[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccc(F)c(F)c1 ZINC001201770317 1136061605 /nfs/dbraw/zinc/06/16/05/1136061605.db2.gz RMUYGBHDXTVKBQ-OAHLLOKOSA-N -1 3 345.748 3.940 20 10 EHCDHM O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cccc(O)c1[O-] ZINC000776331413 1136156320 /nfs/dbraw/zinc/15/63/20/1136156320.db2.gz VTLFVLYNACDGGK-UHFFFAOYSA-N -1 3 344.367 3.537 20 10 EHCDHM COC(=O)CN(Cc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC000816490709 1136724669 /nfs/dbraw/zinc/72/46/69/1136724669.db2.gz CXVRTSUCUMAMPO-UHFFFAOYSA-N -1 3 335.403 3.721 20 10 EHCDHM C[C@H]1CN(Cc2ccc3ccccc3c2[O-])C[C@H](C(F)(F)F)O1 ZINC000816515793 1136729995 /nfs/dbraw/zinc/72/99/95/1136729995.db2.gz KZDSWEDSASHTOF-XHDPSFHLSA-N -1 3 325.330 3.697 20 10 EHCDHM [O-]c1c(CN(CCO)Cc2cccnc2Cl)ccc2ccccc12 ZINC000816597001 1136739853 /nfs/dbraw/zinc/73/98/53/1136739853.db2.gz ZXAPLRRYHOLVPP-UHFFFAOYSA-N -1 3 342.826 3.588 20 10 EHCDHM Cc1ccc(O[C@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)nc1 ZINC000858012666 1136930595 /nfs/dbraw/zinc/93/05/95/1136930595.db2.gz KQBYIUSRBASPPI-AWEZNQCLSA-N -1 3 336.794 3.541 20 10 EHCDHM CCn1ccnc1[C@@H](C)NCc1cc(C)cc(Br)c1[O-] ZINC000825005570 1137159945 /nfs/dbraw/zinc/15/99/45/1137159945.db2.gz PLAJWUKJTXMVFP-LLVKDONJSA-N -1 3 338.249 3.530 20 10 EHCDHM CC1(C)C[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2cc(F)ccc2O1 ZINC000846052836 1137330660 /nfs/dbraw/zinc/33/06/60/1137330660.db2.gz RJLQLCICZZMXNN-HNNXBMFYSA-N -1 3 346.358 3.832 20 10 EHCDHM O=C(NCc1c(Cl)ccc(Cl)c1Cl)c1cccc(O)c1[O-] ZINC001148224103 1137419832 /nfs/dbraw/zinc/41/98/32/1137419832.db2.gz BZIWAHZXLULSFS-UHFFFAOYSA-N -1 3 346.597 3.988 20 10 EHCDHM O=C(Nc1ccccc1Cc1ccccc1)c1cc(O)c([O-])c(O)c1 ZINC001148586375 1137429034 /nfs/dbraw/zinc/42/90/34/1137429034.db2.gz MCGQQSKEAQJNPW-UHFFFAOYSA-N -1 3 335.359 3.647 20 10 EHCDHM Cc1nccnc1[C@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000872135631 1137573576 /nfs/dbraw/zinc/57/35/76/1137573576.db2.gz XNADQJLFWCOXBQ-KOLCDFICSA-N -1 3 325.334 3.921 20 10 EHCDHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000876795606 1137661436 /nfs/dbraw/zinc/66/14/36/1137661436.db2.gz RYJASQQTMVSNEU-BGJPBQGDSA-N -1 3 339.407 3.601 20 10 EHCDHM Cc1cc([O-])c(CN[C@@H](C)c2noc(COC(C)C)n2)cc1Cl ZINC000825955220 1137674237 /nfs/dbraw/zinc/67/42/37/1137674237.db2.gz ITTZLSJUBLYWKN-NSHDSACASA-N -1 3 339.823 3.513 20 10 EHCDHM COC[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccc(Cl)cc1 ZINC000877483487 1137677868 /nfs/dbraw/zinc/67/78/68/1137677868.db2.gz NZCUGMJYGAGXHC-CQSZACIVSA-N -1 3 327.758 3.801 20 10 EHCDHM CC(C)(C)OC(=O)C1(C)CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877607143 1137682731 /nfs/dbraw/zinc/68/27/31/1137682731.db2.gz YPPNALCKKRDNCD-UHFFFAOYSA-N -1 3 341.398 3.614 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877672668 1137685204 /nfs/dbraw/zinc/68/52/04/1137685204.db2.gz KDWTZJNXYCIELX-BBRMVZONSA-N -1 3 335.806 3.883 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877673833 1137685298 /nfs/dbraw/zinc/68/52/98/1137685298.db2.gz SNMFFUBCBZUPPS-DOTOQJQBSA-N -1 3 335.806 3.883 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000882939316 1137839040 /nfs/dbraw/zinc/83/90/40/1137839040.db2.gz WABZCPKUKYDBKL-IAGOWNOFSA-N -1 3 337.341 3.819 20 10 EHCDHM COC[C@H](NCc1cc(F)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC000883105585 1137844673 /nfs/dbraw/zinc/84/46/73/1137844673.db2.gz PBSRCSCPHQWQNG-HNNXBMFYSA-N -1 3 327.758 3.801 20 10 EHCDHM C[C@@H](NC1(c2ncccn2)CCC1)c1ccc(Br)cc1[O-] ZINC000883312062 1137854190 /nfs/dbraw/zinc/85/41/90/1137854190.db2.gz SJBSMPFGVSHMQK-LLVKDONJSA-N -1 3 348.244 3.675 20 10 EHCDHM COCCOc1cc(NCc2c([O-])cccc2Cl)ccc1OC ZINC000266936137 1140740144 /nfs/dbraw/zinc/74/01/44/1140740144.db2.gz AYBNAROCKRJEOO-UHFFFAOYSA-N -1 3 337.803 3.692 20 10 EHCDHM CCN(CC(=O)Nc1ccccc1OC)Cc1c([O-])cccc1Cl ZINC000269364403 1141098537 /nfs/dbraw/zinc/09/85/37/1141098537.db2.gz QGDZDXQPDZHOGC-UHFFFAOYSA-N -1 3 348.830 3.515 20 10 EHCDHM Cc1oc(C(=O)[O-])cc1C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000738956522 600148172 /nfs/dbraw/zinc/14/81/72/600148172.db2.gz BKQIDPVXSSTMQS-UHFFFAOYSA-N -1 3 329.396 3.937 20 10 EHCDHM Cc1oc(C(=O)[O-])cc1C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000738956522 600148174 /nfs/dbraw/zinc/14/81/74/600148174.db2.gz BKQIDPVXSSTMQS-UHFFFAOYSA-N -1 3 329.396 3.937 20 10 EHCDHM CCO[C@@H](CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])C1CCCC1 ZINC001596784372 985246254 /nfs/dbraw/zinc/24/62/54/985246254.db2.gz IRDKWLBAIKHEJM-ACJLOTCBSA-N -1 3 335.444 3.726 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc3c(cnn3C(C)C)c2)c([O-])c1O ZINC000780946016 1032138464 /nfs/dbraw/zinc/13/84/64/1032138464.db2.gz VFUPIRORZKQRBO-UHFFFAOYSA-N -1 3 325.368 3.589 20 10 EHCDHM C[C@@H](N[C@@H](c1nccn1C)c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000184960067 1032347898 /nfs/dbraw/zinc/34/78/98/1032347898.db2.gz SYTSDRNKVRGCSC-KZULUSFZSA-N -1 3 343.377 3.844 20 10 EHCDHM CC(C)(C)c1coc(CNCc2cc(Br)ccc2[O-])n1 ZINC000894432719 1022277106 /nfs/dbraw/zinc/27/71/06/1022277106.db2.gz TZLQOCMVYDUWGO-UHFFFAOYSA-N -1 3 339.233 3.730 20 10 EHCDHM CN(Cc1cc(Cl)cn1C)Cc1cccc(Br)c1[O-] ZINC000091931005 1023329742 /nfs/dbraw/zinc/32/97/42/1023329742.db2.gz RSPZYUYIRAMMTJ-UHFFFAOYSA-N -1 3 343.652 3.779 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)NC2(c3nc(C)cs3)CCC2)c1 ZINC000273475527 1027447266 /nfs/dbraw/zinc/44/72/66/1027447266.db2.gz KUCGJHBLIYJTDZ-GFCCVEGCSA-N -1 3 346.452 3.674 20 10 EHCDHM COc1cccc2c1CCN(Cc1cc(Br)ccc1[O-])C2 ZINC000783595166 1027559583 /nfs/dbraw/zinc/55/95/83/1027559583.db2.gz PGAWRVKZJZMTDA-UHFFFAOYSA-N -1 3 348.240 3.722 20 10 EHCDHM Cc1nc(C(C)(C)NCc2c3c(ccc2[O-])oc2c3CCCC2)no1 ZINC000729848723 1030759830 /nfs/dbraw/zinc/75/98/30/1030759830.db2.gz KQLGSIIZJPORSZ-UHFFFAOYSA-N -1 3 341.411 3.734 20 10 EHCDHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894083781 1040040933 /nfs/dbraw/zinc/04/09/33/1040040933.db2.gz FOEYCUIJQCLQHZ-RULNZOCKSA-N -1 3 339.407 3.601 20 10 EHCDHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894083513 1040041754 /nfs/dbraw/zinc/04/17/54/1040041754.db2.gz FOEYCUIJQCLQHZ-BGJPBQGDSA-N -1 3 339.407 3.601 20 10 EHCDHM [O-]c1ccc(Br)cc1CN1CC=C(C(F)(F)F)CC1 ZINC000769488130 1133289877 /nfs/dbraw/zinc/28/98/77/1133289877.db2.gz YPYQIPIPUDBGFN-UHFFFAOYSA-N -1 3 336.151 3.849 20 10 EHCDHM COc1ccccc1C1(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000842902236 1127644434 /nfs/dbraw/zinc/64/44/34/1127644434.db2.gz MNYFNCKBOSCJFA-GFCCVEGCSA-N -1 3 328.368 3.649 20 10 EHCDHM [O-]c1c(CNc2cnc(C3CC3)nc2)cc(Cl)c2cccnc12 ZINC001168521991 1122373746 /nfs/dbraw/zinc/37/37/46/1122373746.db2.gz MZXSHMBCWUPZJQ-UHFFFAOYSA-N -1 3 326.787 3.873 20 10 EHCDHM COc1c(F)nccc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522455 1122439736 /nfs/dbraw/zinc/43/97/36/1122439736.db2.gz ROIOMHLWKCILBW-UHFFFAOYSA-N -1 3 333.750 3.749 20 10 EHCDHM Cc1c(NCc2cc(Cl)c3cccnc3c2[O-])cccc1C(N)=O ZINC001168523415 1122704747 /nfs/dbraw/zinc/70/47/47/1122704747.db2.gz OFQUEZGFKOLCPF-UHFFFAOYSA-N -1 3 341.798 3.613 20 10 EHCDHM NC(=O)Nc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001168524084 1122870824 /nfs/dbraw/zinc/87/08/24/1122870824.db2.gz VPBAMXJYBYECDF-UHFFFAOYSA-N -1 3 342.786 3.697 20 10 EHCDHM COCOc1cncc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168525992 1124840198 /nfs/dbraw/zinc/84/01/98/1124840198.db2.gz OGQWFXPAHGJGEU-UHFFFAOYSA-N -1 3 345.786 3.584 20 10 EHCDHM CN(CC(=O)NC(C)(C)C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000732470758 1130927506 /nfs/dbraw/zinc/92/75/06/1130927506.db2.gz PRDXYZJXIZWOCG-UHFFFAOYSA-N -1 3 340.423 3.638 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000769324301 1133262914 /nfs/dbraw/zinc/26/29/14/1133262914.db2.gz IIMAFQDGEQAQAF-KRWDZBQOSA-N -1 3 331.371 3.890 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC001180177953 1133336117 /nfs/dbraw/zinc/33/61/17/1133336117.db2.gz JSIPLIUTYVVXEU-QGZVFWFLSA-N -1 3 333.378 3.852 20 10 EHCDHM C[C@@H](c1ccsc1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001181084212 1133455467 /nfs/dbraw/zinc/45/54/67/1133455467.db2.gz AJPTVUZDRUGQTK-ZDUSSCGKSA-N -1 3 336.888 3.986 20 10 EHCDHM C[C@@H](NCc1cc(F)c(F)cc1[O-])c1nc(C(F)(F)F)cs1 ZINC001181244966 1133468070 /nfs/dbraw/zinc/46/80/70/1133468070.db2.gz YFYPYGLOYCATNK-ZCFIWIBFSA-N -1 3 338.301 3.997 20 10 EHCDHM Cc1cc(Br)cc(C[NH2+]Cc2c([O-])cccc2F)c1[O-] ZINC001183919241 1133878898 /nfs/dbraw/zinc/87/88/98/1133878898.db2.gz HRYPESDYWHINDW-UHFFFAOYSA-N -1 3 340.192 3.598 20 10 EHCDHM CCCN(Cc1ccccc1F)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774841260 1134049135 /nfs/dbraw/zinc/04/91/35/1134049135.db2.gz OMHLAXNTBHUBHL-UHFFFAOYSA-N -1 3 348.374 3.860 20 10 EHCDHM COCC[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccc(C)o1 ZINC000790988900 1134489574 /nfs/dbraw/zinc/48/95/74/1134489574.db2.gz GKOHYEHXCGTLIA-CYBMUJFWSA-N -1 3 327.783 3.954 20 10 EHCDHM COCC[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccc(C)o1 ZINC000790988901 1134489726 /nfs/dbraw/zinc/48/97/26/1134489726.db2.gz GKOHYEHXCGTLIA-ZDUSSCGKSA-N -1 3 327.783 3.954 20 10 EHCDHM C[C@@H](NCc1c([O-])cccc1Cl)c1nc(Cc2ccccc2)no1 ZINC000792182227 1134664484 /nfs/dbraw/zinc/66/44/84/1134664484.db2.gz YQYOXQZKDGSGRA-GFCCVEGCSA-N -1 3 343.814 3.870 20 10 EHCDHM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cccc(Br)c1[O-] ZINC000793231318 1134879919 /nfs/dbraw/zinc/87/99/19/1134879919.db2.gz MILXBZJZAWJAQO-PSASIEDQSA-N -1 3 338.167 3.927 20 10 EHCDHM C[C@@H]1Oc2ccccc2[C@@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000808443207 1135667506 /nfs/dbraw/zinc/66/75/06/1135667506.db2.gz BUSFHVWUEZPZFM-BJOHPYRUSA-N -1 3 334.759 3.566 20 10 EHCDHM CC(C)N(CC(=O)N1CCCCCC1)Cc1cccc(Cl)c1[O-] ZINC000809714272 1135876558 /nfs/dbraw/zinc/87/65/58/1135876558.db2.gz DAVHJRZWVWCPTP-UHFFFAOYSA-N -1 3 338.879 3.659 20 10 EHCDHM CN(C)c1ccc(CN(C(=O)c2cc([O-])ccc2Cl)C2CC2)cc1 ZINC000810064761 1135919952 /nfs/dbraw/zinc/91/99/52/1135919952.db2.gz SVKUGUBSBBMDBN-UHFFFAOYSA-N -1 3 344.842 3.916 20 10 EHCDHM CN(Cc1ccc2ccccc2c1[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000816481309 1136722681 /nfs/dbraw/zinc/72/26/81/1136722681.db2.gz PYAFDYNGSRIINF-UHFFFAOYSA-N -1 3 345.402 3.826 20 10 EHCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@H]1CC1CCC1 ZINC000816667551 1136747048 /nfs/dbraw/zinc/74/70/48/1136747048.db2.gz POQZTBCOFHQOEF-OAHLLOKOSA-N -1 3 340.261 3.546 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(F)c(C(F)F)c1 ZINC001626983672 1136835739 /nfs/dbraw/zinc/83/57/39/1136835739.db2.gz BFPLIOPORVTSJR-UHFFFAOYSA-N -1 3 328.265 3.930 20 10 EHCDHM O=C([N-]Cc1cc(Cl)ccc1O)C(F)(F)c1ccc(F)cc1 ZINC000857547686 1136882385 /nfs/dbraw/zinc/88/23/85/1136882385.db2.gz PQVOHWACAKHMKF-UHFFFAOYSA-N -1 3 329.705 3.593 20 10 EHCDHM CC[C@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cccc(Cl)c1[O-] ZINC000857878519 1136917172 /nfs/dbraw/zinc/91/71/72/1136917172.db2.gz ZQPFEUUUEZHTQK-DLBZAZTESA-N -1 3 344.842 3.800 20 10 EHCDHM O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1cccc(O)c1[O-] ZINC001136223773 1136940094 /nfs/dbraw/zinc/94/00/94/1136940094.db2.gz WECOUOPBXPTDFT-GOSISDBHSA-N -1 3 337.350 3.756 20 10 EHCDHM Cc1cc([O-])c(CNCc2cc(COC(C)(C)C)on2)cc1Cl ZINC000825554979 1137015625 /nfs/dbraw/zinc/01/56/25/1137015625.db2.gz BOFRELDLAFOSRA-UHFFFAOYSA-N -1 3 338.835 3.947 20 10 EHCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCc2ccc(Cl)cc21 ZINC000846436750 1137350257 /nfs/dbraw/zinc/35/02/57/1137350257.db2.gz JYKFVDFRHQJNEV-NSHDSACASA-N -1 3 331.799 3.553 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](CF)c2ccc(F)cc2)c1 ZINC000866597038 1137367871 /nfs/dbraw/zinc/36/78/71/1137367871.db2.gz WKQYANAFNJRLTA-MEDUHNTESA-N -1 3 335.350 3.679 20 10 EHCDHM O=C(Nc1cnc2c(cccc2C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC001148212019 1137419637 /nfs/dbraw/zinc/41/96/37/1137419637.db2.gz IDCKSYFCZREGNO-UHFFFAOYSA-N -1 3 348.280 3.917 20 10 EHCDHM Cc1noc(C)c1[C@H](C)NCc1cc(Br)cc(F)c1[O-] ZINC000715778412 1137478142 /nfs/dbraw/zinc/47/81/42/1137478142.db2.gz LOLBODPPVUXJKH-ZETCQYMHSA-N -1 3 343.196 3.749 20 10 EHCDHM [O-]c1cc(Br)ccc1CN1CCC[C@H]1c1cccnc1 ZINC000825903857 1137661725 /nfs/dbraw/zinc/66/17/25/1137661725.db2.gz USURIGJZTZQRAJ-HNNXBMFYSA-N -1 3 333.229 3.887 20 10 EHCDHM COC[C@H](NCc1ccc(F)c(F)c1[O-])c1cccc(Cl)c1 ZINC000877537847 1137680397 /nfs/dbraw/zinc/68/03/97/1137680397.db2.gz QMRFVIVZDDZCDR-AWEZNQCLSA-N -1 3 327.758 3.801 20 10 EHCDHM [O-]c1c(CN2CCC(c3nc(C4CCC4)no3)CC2)ccc(F)c1F ZINC000877736187 1137687386 /nfs/dbraw/zinc/68/73/86/1137687386.db2.gz XVNZIAWOQAZNGK-UHFFFAOYSA-N -1 3 349.381 3.701 20 10 EHCDHM C[C@H](c1cccc(NCc2cc(F)cc(F)c2[O-])c1)N1CCOCC1 ZINC000883062375 1137843171 /nfs/dbraw/zinc/84/31/71/1137843171.db2.gz AEACUOYKHRVZPB-CYBMUJFWSA-N -1 3 348.393 3.676 20 10 EHCDHM C[C@H](Nc1cccc(CN2CCOC2=O)c1)c1c([O-])cccc1F ZINC000886566617 1138098104 /nfs/dbraw/zinc/09/81/04/1138098104.db2.gz VADPEEPLYFFZAH-LBPRGKRZSA-N -1 3 330.359 3.657 20 10 EHCDHM COCCOC(=O)Nc1cccc(N[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886568148 1138098331 /nfs/dbraw/zinc/09/83/31/1138098331.db2.gz BVWJGDYGYZDNGS-LBPRGKRZSA-N -1 3 348.374 3.899 20 10 EHCDHM [O-]c1cccc(Cl)c1CNc1ccc(N2CCOCC2)c(F)c1 ZINC000129844251 1138424917 /nfs/dbraw/zinc/42/49/17/1138424917.db2.gz KXICGDZWLUIIJX-UHFFFAOYSA-N -1 3 336.794 3.633 20 10 EHCDHM COc1cc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])ccc1O ZINC000177049766 1139594083 /nfs/dbraw/zinc/59/40/83/1139594083.db2.gz MUGTWYICRDIYKV-UHFFFAOYSA-N -1 3 349.814 3.594 20 10 EHCDHM CC(C)Oc1ccc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001591777040 975931920 /nfs/dbraw/zinc/93/19/20/975931920.db2.gz YDMVWDPOZDHDSC-CQSZACIVSA-N -1 3 343.423 3.771 20 10 EHCDHM CN(C)c1cc(F)c(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1F ZINC000864511881 979940601 /nfs/dbraw/zinc/94/06/01/979940601.db2.gz PXZXDCDNDDFHOJ-QGZVFWFLSA-N -1 3 348.393 3.727 20 10 EHCDHM CN(Cc1csc(C(=O)[O-])c1)Cc1ccc(N2CCCC2)cc1 ZINC001598519517 992661914 /nfs/dbraw/zinc/66/19/14/992661914.db2.gz VSNMFPWWQPXWGZ-UHFFFAOYSA-N -1 3 330.453 3.679 20 10 EHCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC001593195024 994143810 /nfs/dbraw/zinc/14/38/10/994143810.db2.gz CAROWDOGHKEDHG-NSAWSLCGSA-N -1 3 341.407 3.694 20 10 EHCDHM C[C@@H](NCc1cc(C2CC2)ccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593291856 994671913 /nfs/dbraw/zinc/67/19/13/994671913.db2.gz DHVGNBMRUSSEKG-LLVKDONJSA-N -1 3 329.371 3.958 20 10 EHCDHM CN(Cc1nc2ccccc2o1)Cc1c([O-])cccc1Br ZINC001140102999 1016741807 /nfs/dbraw/zinc/74/18/07/1016741807.db2.gz DIITZHQNGYOMAJ-UHFFFAOYSA-N -1 3 347.212 3.928 20 10 EHCDHM Cc1ccncc1CN(C)Cc1cc(Br)cc(F)c1[O-] ZINC000894617093 1022622626 /nfs/dbraw/zinc/62/26/26/1022622626.db2.gz AQJKPQXXIKNVBL-UHFFFAOYSA-N -1 3 339.208 3.629 20 10 EHCDHM CCc1ccc([C@H](COC)NCc2cc(Cl)c(F)cc2[O-])o1 ZINC000293593210 1022869863 /nfs/dbraw/zinc/86/98/63/1022869863.db2.gz KNKVTFYMGOIXDA-AWEZNQCLSA-N -1 3 327.783 3.817 20 10 EHCDHM Cc1ccc(C(=O)Nc2cc(C3C(C)(C)C3(C)C)[nH]n2)c([O-])c1O ZINC001143443229 1025649349 /nfs/dbraw/zinc/64/93/49/1025649349.db2.gz KDOMUWLAYIKTCU-UHFFFAOYSA-N -1 3 329.400 3.531 20 10 EHCDHM Cc1cc(CC(=O)[N-]OCC(F)F)c(C)n1-c1ccc(Cl)cc1 ZINC000759348706 1026049966 /nfs/dbraw/zinc/04/99/66/1026049966.db2.gz FCQMDGUARLEKNF-UHFFFAOYSA-N -1 3 342.773 3.603 20 10 EHCDHM CCOCc1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273351759 1027389998 /nfs/dbraw/zinc/38/99/98/1027389998.db2.gz BVWQQAYYZRNYLM-ZDUSSCGKSA-N -1 3 329.396 3.888 20 10 EHCDHM Cc1cc([O-])c(CN2CCc3nc(C(C)C)ncc3C2)c(Cl)c1 ZINC000527618737 1031043022 /nfs/dbraw/zinc/04/30/22/1031043022.db2.gz YTUDHLUPZNNBNH-UHFFFAOYSA-N -1 3 331.847 3.826 20 10 EHCDHM CC(=O)Nc1cccc2c1CCN(Cc1cccc(Cl)c1[O-])C2 ZINC000179820435 1031812148 /nfs/dbraw/zinc/81/21/48/1031812148.db2.gz WGVGUBFIZPJACZ-UHFFFAOYSA-N -1 3 330.815 3.562 20 10 EHCDHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894083779 1040040791 /nfs/dbraw/zinc/04/07/91/1040040791.db2.gz FOEYCUIJQCLQHZ-BSNNYGBQSA-N -1 3 339.407 3.601 20 10 EHCDHM Cc1nc(COc2ccc(N[C@H](C)c3ccc(F)cc3[O-])cc2)no1 ZINC000186449939 1128643633 /nfs/dbraw/zinc/64/36/33/1128643633.db2.gz OBIIQDHYBOLUAR-LLVKDONJSA-N -1 3 343.358 3.975 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000921374968 1123530415 /nfs/dbraw/zinc/53/04/15/1123530415.db2.gz DQQJBUKNFCOVHL-MNOVXSKESA-N -1 3 348.340 3.699 20 10 EHCDHM CCOc1ccc(N(C)Cc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000739922283 1131517002 /nfs/dbraw/zinc/51/70/02/1131517002.db2.gz FLWCPHBUDKMUPN-UHFFFAOYSA-N -1 3 339.391 3.842 20 10 EHCDHM C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1c([O-])cccc1F ZINC001178412600 1133167686 /nfs/dbraw/zinc/16/76/86/1133167686.db2.gz BHWABLNAJYXMOO-CYBMUJFWSA-N -1 3 339.366 3.768 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000769314306 1133259646 /nfs/dbraw/zinc/25/96/46/1133259646.db2.gz XIGYSWNIAVHICT-CYBMUJFWSA-N -1 3 326.227 3.733 20 10 EHCDHM C[C@H](c1ccsc1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001181084208 1133455473 /nfs/dbraw/zinc/45/54/73/1133455473.db2.gz AJPTVUZDRUGQTK-CYBMUJFWSA-N -1 3 336.888 3.986 20 10 EHCDHM CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC001182203219 1133592700 /nfs/dbraw/zinc/59/27/00/1133592700.db2.gz IFSYMAUFTJIMHV-QGZVFWFLSA-N -1 3 343.826 3.738 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(C)c(OC)cc2C)c1 ZINC000774481094 1133687238 /nfs/dbraw/zinc/68/72/38/1133687238.db2.gz AGKRRDNNSYDVMR-CYBMUJFWSA-N -1 3 329.396 3.977 20 10 EHCDHM [O-]c1ccc(Cl)cc1CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001203664808 1134360148 /nfs/dbraw/zinc/36/01/48/1134360148.db2.gz WYZQRXQDIGSWSE-CYBMUJFWSA-N -1 3 331.725 3.902 20 10 EHCDHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000790522390 1134430448 /nfs/dbraw/zinc/43/04/48/1134430448.db2.gz DLQLLFQFRUTILU-SNVBAGLBSA-N -1 3 339.313 3.950 20 10 EHCDHM O=C(Nc1ccc(N2CCCCCC2)cc1)c1cccc(O)c1[O-] ZINC000790647646 1134450848 /nfs/dbraw/zinc/45/08/48/1134450848.db2.gz XEGHBRLMLLCGQG-UHFFFAOYSA-N -1 3 326.396 3.731 20 10 EHCDHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cccc(O)c1[O-] ZINC000790894093 1134476668 /nfs/dbraw/zinc/47/66/68/1134476668.db2.gz AVSPNLVHHJELOT-MRXNPFEDSA-N -1 3 327.424 3.890 20 10 EHCDHM CC[C@H](NCc1nncn1-c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806132471 1135388039 /nfs/dbraw/zinc/38/80/39/1135388039.db2.gz WUIOBETYDCAXBQ-INIZCTEOSA-N -1 3 342.830 3.867 20 10 EHCDHM Cc1cc(=O)[n-]c(C=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000806574207 1135463726 /nfs/dbraw/zinc/46/37/26/1135463726.db2.gz HFLCJLWGKWSNNU-VURMDHGXSA-N -1 3 340.383 3.560 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCC[C@@H]1c1ccncc1 ZINC000809728811 1135872592 /nfs/dbraw/zinc/87/25/92/1135872592.db2.gz IPEBJXMTRWZYSZ-OAHLLOKOSA-N -1 3 333.229 3.887 20 10 EHCDHM Cn1c(CNCc2cccc(Cl)c2[O-])nc2cccc(Cl)c21 ZINC000775983257 1135910544 /nfs/dbraw/zinc/91/05/44/1135910544.db2.gz KXWCNZATSWOHAP-UHFFFAOYSA-N -1 3 336.222 3.876 20 10 EHCDHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(O)c(F)c2)c(C)c1C ZINC001201799886 1136063765 /nfs/dbraw/zinc/06/37/65/1136063765.db2.gz ULVMIEIJNLGWDI-UHFFFAOYSA-N -1 3 337.416 3.874 20 10 EHCDHM O=C(NCCOc1ccccc1-c1ccccc1)c1cccc(O)c1[O-] ZINC000776341640 1136160689 /nfs/dbraw/zinc/16/06/89/1136160689.db2.gz MBSAFNIENCFBQM-UHFFFAOYSA-N -1 3 349.386 3.574 20 10 EHCDHM Cc1ccc(O[C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C2)nc1 ZINC000858012429 1136930186 /nfs/dbraw/zinc/93/01/86/1136930186.db2.gz HCNREMGWEFMVNN-GFCCVEGCSA-N -1 3 336.794 3.541 20 10 EHCDHM Cc1nc(CNCc2cc(Cl)ccc2[O-])sc1Br ZINC000824589133 1137144394 /nfs/dbraw/zinc/14/43/94/1137144394.db2.gz AYLHXUWYPVRUNB-UHFFFAOYSA-N -1 3 347.665 3.863 20 10 EHCDHM Cc1cc([O-])c(CN[C@H](C)c2nnc3n2CCCCC3)cc1Cl ZINC000825097789 1137165304 /nfs/dbraw/zinc/16/53/04/1137165304.db2.gz ZOAKRHBILJOUCN-GFCCVEGCSA-N -1 3 334.851 3.523 20 10 EHCDHM Cc1cc([O-])c(CN[C@H]2COc3cc(F)cc(F)c32)cc1Cl ZINC000825500729 1137179894 /nfs/dbraw/zinc/17/98/94/1137179894.db2.gz HHJMLWGZIKRYNJ-ZDUSSCGKSA-N -1 3 325.742 3.856 20 10 EHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@H](C(F)F)C1 ZINC001144306937 1137270731 /nfs/dbraw/zinc/27/07/31/1137270731.db2.gz XDROFDTWKRVWRX-MRVPVSSYSA-N -1 3 338.167 3.771 20 10 EHCDHM COCc1ccnc(NCc2cc(C)cc(Br)c2[O-])c1 ZINC000844710396 1137247434 /nfs/dbraw/zinc/24/74/34/1137247434.db2.gz ZDRVXFMZULEJMF-UHFFFAOYSA-N -1 3 337.217 3.617 20 10 EHCDHM O=C(Nc1ccc2nc(C(F)(F)F)ccc2c1)c1cccc(O)c1[O-] ZINC001148218920 1137419926 /nfs/dbraw/zinc/41/99/26/1137419926.db2.gz OEBZUYAETGWSIK-UHFFFAOYSA-N -1 3 348.280 3.917 20 10 EHCDHM [O-]c1c(CN2CCC(OCc3ccccc3)CC2)ccc(F)c1F ZINC000876554204 1137655464 /nfs/dbraw/zinc/65/54/64/1137655464.db2.gz GCGMSXLZHRPRBB-UHFFFAOYSA-N -1 3 333.378 3.852 20 10 EHCDHM [O-]c1c(CN2CCC(OCCc3ccccc3)CC2)ccc(F)c1F ZINC000876625962 1137657362 /nfs/dbraw/zinc/65/73/62/1137657362.db2.gz KMAFVZQUTCHVDW-UHFFFAOYSA-N -1 3 347.405 3.894 20 10 EHCDHM COC[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccc(Cl)cc1 ZINC000883105586 1137844790 /nfs/dbraw/zinc/84/47/90/1137844790.db2.gz PBSRCSCPHQWQNG-OAHLLOKOSA-N -1 3 327.758 3.801 20 10 EHCDHM CCN(Cc1nc(C)cs1)Cc1cc(Br)ccc1[O-] ZINC000131066680 1137845940 /nfs/dbraw/zinc/84/59/40/1137845940.db2.gz XOFSJFCBGDKHGN-UHFFFAOYSA-N -1 3 341.274 3.942 20 10 EHCDHM C[C@@H](NCc1nccn1CCc1ccccc1)c1c([O-])cccc1F ZINC000886537264 1138092732 /nfs/dbraw/zinc/09/27/32/1138092732.db2.gz XKPZOYIOCHBGIT-OAHLLOKOSA-N -1 3 339.414 3.821 20 10 EHCDHM Cc1ccc(CN[C@@H](C)c2c([O-])cccc2F)c(O[C@H]2CCOC2)c1 ZINC000886538151 1138092956 /nfs/dbraw/zinc/09/29/56/1138092956.db2.gz CHCGOHRGBXAWQV-HOCLYGCPSA-N -1 3 345.414 3.858 20 10 EHCDHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000187206540 1140244133 /nfs/dbraw/zinc/24/41/33/1140244133.db2.gz QZMTWIVJDTVJCA-NSHDSACASA-N -1 3 334.441 3.819 20 10 EHCDHM Cc1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)oc1C(=O)[O-] ZINC000738382386 600317757 /nfs/dbraw/zinc/31/77/57/600317757.db2.gz HJNYRFYCIBUWFE-UHFFFAOYSA-N -1 3 329.396 3.937 20 10 EHCDHM Cc1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)oc1C(=O)[O-] ZINC000738382386 600317759 /nfs/dbraw/zinc/31/77/59/600317759.db2.gz HJNYRFYCIBUWFE-UHFFFAOYSA-N -1 3 329.396 3.937 20 10 EHCDHM CC(C)(C)[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001589720085 987881595 /nfs/dbraw/zinc/88/15/95/987881595.db2.gz LYTUMKAXRUPCIU-SFHVURJKSA-N -1 3 343.423 3.560 20 10 EHCDHM CSc1cccc(F)c1CN[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001599821917 988528931 /nfs/dbraw/zinc/52/89/31/988528931.db2.gz KMOSDTJXYLKWCD-JTQLQIEISA-N -1 3 335.400 3.802 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000179950935 1123905673 /nfs/dbraw/zinc/90/56/73/1123905673.db2.gz ZNMDENQMEWBZSL-SNVBAGLBSA-N -1 3 338.167 3.929 20 10 EHCDHM [O-]c1c(Cl)cccc1CN1CCC(Oc2ncccc2F)CC1 ZINC000278257754 1029848893 /nfs/dbraw/zinc/84/88/93/1029848893.db2.gz NFRGUZVMXJVHIW-UHFFFAOYSA-N -1 3 336.794 3.623 20 10 EHCDHM COc1c([O-])c(CNc2cnn(C3CCCC3)c2C)ccc1[N+](=O)[O-] ZINC000278646898 1031809476 /nfs/dbraw/zinc/80/94/76/1031809476.db2.gz JJFSVYUGRRAGMX-UHFFFAOYSA-N -1 3 346.387 3.541 20 10 EHCDHM Cc1ccc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c([O-])c1O ZINC000177672219 1035305697 /nfs/dbraw/zinc/30/56/97/1035305697.db2.gz KPENPPWBYHBGTO-UHFFFAOYSA-N -1 3 342.395 3.561 20 10 EHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1c(C)cccc1C ZINC001167734913 1038425984 /nfs/dbraw/zinc/42/59/84/1038425984.db2.gz QLDGMPCDDGCRCA-UHFFFAOYSA-N -1 3 347.842 3.838 20 10 EHCDHM [O-]c1ccccc1C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CCCO1 ZINC000893879805 1039784813 /nfs/dbraw/zinc/78/48/13/1039784813.db2.gz JNSMCHFFMNWKBO-MRXNPFEDSA-N -1 3 349.377 3.557 20 10 EHCDHM [O-]c1ccccc1C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CCCO1 ZINC000893879805 1039784831 /nfs/dbraw/zinc/78/48/31/1039784831.db2.gz JNSMCHFFMNWKBO-MRXNPFEDSA-N -1 3 349.377 3.557 20 10 EHCDHM [O-]c1c(CNc2ccc3c(n2)CCOC3)cc(Cl)c2cccnc12 ZINC001168522456 1122440536 /nfs/dbraw/zinc/44/05/36/1122440536.db2.gz RQMPQUMKKZYCJS-UHFFFAOYSA-N -1 3 341.798 3.674 20 10 EHCDHM COc1ccc2c(c1)CN(Cc1cccc(Br)c1[O-])CC2 ZINC000769120991 1133229659 /nfs/dbraw/zinc/22/96/59/1133229659.db2.gz NIIZYNRENLPGDF-UHFFFAOYSA-N -1 3 348.240 3.722 20 10 EHCDHM Cc1ccc(CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000769315438 1133260851 /nfs/dbraw/zinc/26/08/51/1133260851.db2.gz BNULBWWZFUPHAO-UHFFFAOYSA-N -1 3 326.805 3.956 20 10 EHCDHM CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001180112748 1133333208 /nfs/dbraw/zinc/33/32/08/1133333208.db2.gz NLRXXZAFEWWNOS-GFCCVEGCSA-N -1 3 341.398 3.614 20 10 EHCDHM [O-]c1c(Cl)cccc1CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000787289145 1133985527 /nfs/dbraw/zinc/98/55/27/1133985527.db2.gz DQKRJZOAMFQRRG-ZDUSSCGKSA-N -1 3 336.794 3.623 20 10 EHCDHM COc1c([O-])c(CN2C[C@H](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774911150 1134118694 /nfs/dbraw/zinc/11/86/94/1134118694.db2.gz VYUHFZJALAXBIG-BLLLJJGKSA-N -1 3 328.368 3.502 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000790516777 1134429594 /nfs/dbraw/zinc/42/95/94/1134429594.db2.gz WZELHCACMAFEMM-LJQANCHMSA-N -1 3 345.398 3.886 20 10 EHCDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccc([S@@](C)=O)cc1 ZINC000790982880 1134496367 /nfs/dbraw/zinc/49/63/67/1134496367.db2.gz LFVFKKIFBIEJDT-ZQJOYCHOSA-N -1 3 341.835 3.773 20 10 EHCDHM CC(C)Oc1ccc(NCc2c([O-])cccc2Cl)cc1C(N)=O ZINC000793382116 1134919181 /nfs/dbraw/zinc/91/91/81/1134919181.db2.gz HXDJJSSJCYOUHF-UHFFFAOYSA-N -1 3 334.803 3.544 20 10 EHCDHM N=C(NC(=O)c1ccc([O-])c(O)c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC001193237169 1135117348 /nfs/dbraw/zinc/11/73/48/1135117348.db2.gz ZHALFGXHNWXJMU-UHFFFAOYSA-N -1 3 348.830 3.675 20 10 EHCDHM CCOc1cccc(CNCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000809775534 1135881765 /nfs/dbraw/zinc/88/17/65/1135881765.db2.gz CYSVMEYBSQGFFP-UHFFFAOYSA-N -1 3 327.211 3.783 20 10 EHCDHM O=C(NCC(c1ccccc1)c1ccccc1)c1cccc(O)c1[O-] ZINC000776312502 1136152040 /nfs/dbraw/zinc/15/20/40/1136152040.db2.gz DKZYRXAFKWMTJS-UHFFFAOYSA-N -1 3 333.387 3.660 20 10 EHCDHM Cn1cc(CNCc2cc(Cl)cc(Cl)c2[O-])c(C(F)F)n1 ZINC000812768325 1136248037 /nfs/dbraw/zinc/24/80/37/1136248037.db2.gz ONSHBZYCVBPNBG-UHFFFAOYSA-N -1 3 336.169 3.660 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC3(CCCC3=O)CC2)c1[O-] ZINC000852632551 1136471999 /nfs/dbraw/zinc/47/19/99/1136471999.db2.gz ZHYJDIWLEFGOGN-UHFFFAOYSA-N -1 3 335.831 3.583 20 10 EHCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000854952676 1136656575 /nfs/dbraw/zinc/65/65/75/1136656575.db2.gz MIWMUDAODBWIDN-NVXWUHKLSA-N -1 3 325.408 3.896 20 10 EHCDHM C[C@@H]1CN(Cc2ccc3ccccc3c2[O-])C[C@@H](C(F)(F)F)O1 ZINC000816515790 1136729912 /nfs/dbraw/zinc/72/99/12/1136729912.db2.gz KZDSWEDSASHTOF-ABAIWWIYSA-N -1 3 325.330 3.697 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H]1CCOc2c(F)cccc21 ZINC000816586597 1136734748 /nfs/dbraw/zinc/73/47/48/1136734748.db2.gz MKOORCBCJDYELH-CQSZACIVSA-N -1 3 325.742 3.937 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CC2(CCOCC2)[C@H]1C1CC1 ZINC000816656087 1136745181 /nfs/dbraw/zinc/74/51/81/1136745181.db2.gz DVIQTQNMUWKGDU-MRXNPFEDSA-N -1 3 325.811 3.576 20 10 EHCDHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cccc(O)c1[O-] ZINC001136151423 1136884516 /nfs/dbraw/zinc/88/45/16/1136884516.db2.gz FNQBIVJCDBBMPO-SFHVURJKSA-N -1 3 333.387 3.812 20 10 EHCDHM COCc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1OC ZINC000858568153 1136979113 /nfs/dbraw/zinc/97/91/13/1136979113.db2.gz OHBZUADNMMYHBJ-LBPRGKRZSA-N -1 3 345.395 3.507 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2cccnc2)c1[O-] ZINC000805747004 1136990802 /nfs/dbraw/zinc/99/08/02/1136990802.db2.gz PHLKUCSZMRLOHM-KRWDZBQOSA-N -1 3 330.815 3.980 20 10 EHCDHM Cn1ncc2c1CC(C)(C)CN(Cc1cc(Cl)c(F)cc1[O-])C2 ZINC000828013933 1137001017 /nfs/dbraw/zinc/00/10/17/1137001017.db2.gz PBCVAUOAALDRJI-UHFFFAOYSA-N -1 3 337.826 3.503 20 10 EHCDHM [O-]c1cc(Br)ccc1CN1CCC[C@H]1c1ccccn1 ZINC000824566073 1137143119 /nfs/dbraw/zinc/14/31/19/1137143119.db2.gz FBEXXWWDPINYJK-HNNXBMFYSA-N -1 3 333.229 3.887 20 10 EHCDHM C[C@]1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C[C@@H]2C=C[C@H]1C2 ZINC001144286568 1137266793 /nfs/dbraw/zinc/26/67/93/1137266793.db2.gz UQSXCRSURHEKGX-AGMRTUQYSA-N -1 3 342.826 3.812 20 10 EHCDHM C[C@@H](O)[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccc1F ZINC000846015652 1137326174 /nfs/dbraw/zinc/32/61/74/1137326174.db2.gz ZDDAFBYDQAOXNI-ABKXIKBNSA-N -1 3 327.758 3.536 20 10 EHCDHM C[C@@H](O)[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1F ZINC000846182898 1137340349 /nfs/dbraw/zinc/34/03/49/1137340349.db2.gz LGEBBSCVXAKHAU-IEVXNVSRSA-N -1 3 325.330 3.582 20 10 EHCDHM Cc1noc(C)c1[C@@H](C)NCc1cc(Br)cc(F)c1[O-] ZINC000715778411 1137478051 /nfs/dbraw/zinc/47/80/51/1137478051.db2.gz LOLBODPPVUXJKH-SSDOTTSWSA-N -1 3 343.196 3.749 20 10 EHCDHM CCOc1ccc2c(c1)[C@@H](NCc1cc(F)cc(F)c1[O-])CCO2 ZINC000883090989 1137844362 /nfs/dbraw/zinc/84/43/62/1137844362.db2.gz AGCOCWJDXJGKPQ-INIZCTEOSA-N -1 3 335.350 3.683 20 10 EHCDHM COCCn1ncc2ccc(N[C@H](C)c3c([O-])cccc3F)cc21 ZINC000886584557 1138099318 /nfs/dbraw/zinc/09/93/18/1138099318.db2.gz RIEIQNIYIDDMPG-GFCCVEGCSA-N -1 3 329.375 3.701 20 10 EHCDHM CCNC(=O)N1CCc2ccc(N[C@@H](C)c3c([O-])cccc3F)cc21 ZINC000886586100 1138099720 /nfs/dbraw/zinc/09/97/20/1138099720.db2.gz KVNJGZYRKOVNOS-LBPRGKRZSA-N -1 3 343.402 3.796 20 10 EHCDHM C[C@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1c([O-])cccc1F ZINC000886631679 1138104155 /nfs/dbraw/zinc/10/41/55/1138104155.db2.gz UBYWEJOFXJKQAZ-YOEHRIQHSA-N -1 3 339.414 3.899 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cscc2Cl)c1 ZINC000886656599 1138108949 /nfs/dbraw/zinc/10/89/49/1138108949.db2.gz LJUSJTQUSGCNLW-VIFPVBQESA-N -1 3 325.817 3.745 20 10 EHCDHM COc1ccc(N(C(=O)c2ccc(C)c(O)c2[O-])[C@@H](C)C2CC2)cc1 ZINC000179466740 1139758220 /nfs/dbraw/zinc/75/82/20/1139758220.db2.gz OGWVNOATBCVGHE-ZDUSSCGKSA-N -1 3 341.407 3.860 20 10 EHCDHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cccc(O)c1[O-] ZINC000193064864 1140561608 /nfs/dbraw/zinc/56/16/08/1140561608.db2.gz HQZZFIDJVRTCQM-UHFFFAOYSA-N -1 3 342.395 3.643 20 10 EHCDHM CC[C@H](NCc1nccs1)c1cc(Br)ccc1[O-] ZINC000041011898 522670762 /nfs/dbraw/zinc/67/07/62/522670762.db2.gz LDNPIRJHMRMUMD-NSHDSACASA-N -1 3 327.247 3.852 20 10 EHCDHM C[C@H](CCCc1cccnc1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592490635 978281722 /nfs/dbraw/zinc/28/17/22/978281722.db2.gz FXKAXBFMPROXGI-ZIAGYGMSSA-N -1 3 328.412 3.547 20 10 EHCDHM O=C([O-])[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1F ZINC000779490825 978783834 /nfs/dbraw/zinc/78/38/34/978783834.db2.gz FFTHYNJEDOCXMI-LJQANCHMSA-N -1 3 342.414 3.732 20 10 EHCDHM C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC000863740607 979675015 /nfs/dbraw/zinc/67/50/15/979675015.db2.gz YOHFIAGCYLKZRH-KBXCAEBGSA-N -1 3 325.408 3.602 20 10 EHCDHM C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC000863740607 979675021 /nfs/dbraw/zinc/67/50/21/979675021.db2.gz YOHFIAGCYLKZRH-KBXCAEBGSA-N -1 3 325.408 3.602 20 10 EHCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC001593195025 994143947 /nfs/dbraw/zinc/14/39/47/994143947.db2.gz CAROWDOGHKEDHG-RJAOAUJVSA-N -1 3 341.407 3.694 20 10 EHCDHM COc1cccc(C(C)(C)C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001599649413 994473566 /nfs/dbraw/zinc/47/35/66/994473566.db2.gz JLTFVADFAXYFOL-ZDUSSCGKSA-N -1 3 343.423 3.727 20 10 EHCDHM C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593300063 994727043 /nfs/dbraw/zinc/72/70/43/994727043.db2.gz ZGUYAGUDXUXXKL-JTQLQIEISA-N -1 3 337.322 3.543 20 10 EHCDHM CCc1nnc([C@H](C)N[C@H](C)c2cc(Cl)c(Cl)cc2[O-])[nH]1 ZINC000278365630 1030401895 /nfs/dbraw/zinc/40/18/95/1030401895.db2.gz BSQZZQXIVGXRND-SFYZADRCSA-N -1 3 329.231 3.791 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CNCc1cc(Br)ccc1F ZINC000708445748 1031575187 /nfs/dbraw/zinc/57/51/87/1031575187.db2.gz XYLRLZSNPBGMQF-UHFFFAOYSA-N -1 3 346.146 3.862 20 10 EHCDHM Cn1ccc([C@@H](NCc2cc(F)ccc2[O-])c2ccc(Cl)cc2)n1 ZINC000364103811 1039774093 /nfs/dbraw/zinc/77/40/93/1039774093.db2.gz RSCURKZVBSLAHH-SFHVURJKSA-N -1 3 345.805 3.797 20 10 EHCDHM [O-]c1ccccc1C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCCO1 ZINC000893879804 1039785546 /nfs/dbraw/zinc/78/55/46/1039785546.db2.gz JNSMCHFFMNWKBO-INIZCTEOSA-N -1 3 349.377 3.557 20 10 EHCDHM [O-]c1ccccc1C[N@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCCO1 ZINC000893879804 1039785564 /nfs/dbraw/zinc/78/55/64/1039785564.db2.gz JNSMCHFFMNWKBO-INIZCTEOSA-N -1 3 349.377 3.557 20 10 EHCDHM COc1c([O-])c(CNc2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278904215 1042887695 /nfs/dbraw/zinc/88/76/95/1042887695.db2.gz ROTDZDSCEUXMIM-UHFFFAOYSA-N -1 3 332.356 3.708 20 10 EHCDHM Cc1ccc2nc(CNCc3cc(Cl)cc(Cl)c3[O-])cn2c1 ZINC000731450490 1130801428 /nfs/dbraw/zinc/80/14/28/1130801428.db2.gz AZDHNRNDLZHHOK-UHFFFAOYSA-N -1 3 336.222 3.945 20 10 EHCDHM Cn1c(C(=O)NCc2c([O-])cccc2F)ccc1-c1ccc(F)cc1 ZINC001178413707 1133167443 /nfs/dbraw/zinc/16/74/43/1133167443.db2.gz XCUQSQPTHIFRNJ-UHFFFAOYSA-N -1 3 342.345 3.606 20 10 EHCDHM CN(Cc1ccn(-c2ccccc2)n1)Cc1c([O-])cccc1Cl ZINC000768917964 1133202812 /nfs/dbraw/zinc/20/28/12/1133202812.db2.gz CQMQYIVOBBVBAY-UHFFFAOYSA-N -1 3 327.815 3.863 20 10 EHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H](F)c1ccccc1 ZINC001180151860 1133339903 /nfs/dbraw/zinc/33/99/03/1133339903.db2.gz YCNAKRDQKUBLKJ-HNNXBMFYSA-N -1 3 344.773 3.921 20 10 EHCDHM COC(=O)c1cccc2c1CCN(Cc1c([O-])cc(C)cc1Cl)C2 ZINC001182196158 1133590399 /nfs/dbraw/zinc/59/03/99/1133590399.db2.gz NUDZGLCETQPGAU-UHFFFAOYSA-N -1 3 345.826 3.699 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCn3c(Cl)ccc3[C@H]2C)c1[O-] ZINC000787656090 1134025942 /nfs/dbraw/zinc/02/59/42/1134025942.db2.gz XSOFCLVQTWEFST-SNVBAGLBSA-N -1 3 336.794 3.766 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000790896407 1134476855 /nfs/dbraw/zinc/47/68/55/1134476855.db2.gz GOQOXRCWQVXTFZ-OAHLLOKOSA-N -1 3 333.334 3.743 20 10 EHCDHM Cc1cc(N2CCCCC2)ccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170320666 1134746772 /nfs/dbraw/zinc/74/67/72/1134746772.db2.gz IAZWMKREESAQIB-UHFFFAOYSA-N -1 3 340.423 3.691 20 10 EHCDHM CC[C@@H](NCc1csc(N(C)C)n1)c1cccc(Cl)c1[O-] ZINC000806143347 1135400835 /nfs/dbraw/zinc/40/08/35/1135400835.db2.gz UQKOLFPKKDSPOM-CYBMUJFWSA-N -1 3 325.865 3.809 20 10 EHCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1OC(F)F ZINC000776334358 1136158501 /nfs/dbraw/zinc/15/85/01/1136158501.db2.gz XSASBVJYRBAJSN-LBPRGKRZSA-N -1 3 337.322 3.580 20 10 EHCDHM C[C@H](Oc1ccccc1NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000813838105 1136369134 /nfs/dbraw/zinc/36/91/34/1136369134.db2.gz ARBYUMOJOLGWAG-VIFPVBQESA-N -1 3 341.285 3.680 20 10 EHCDHM C[C@H]1CN(Cc2cccc(Br)c2[O-])Cc2ccccc2O1 ZINC000814177897 1136411499 /nfs/dbraw/zinc/41/14/99/1136411499.db2.gz TYWRWPGNHYPKHU-LBPRGKRZSA-N -1 3 348.240 3.938 20 10 EHCDHM CC(C)OC(=O)C[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816569896 1136738415 /nfs/dbraw/zinc/73/84/15/1136738415.db2.gz AGGHMMZLGHJHON-GFCCVEGCSA-N -1 3 343.826 3.738 20 10 EHCDHM C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000817880748 1136843478 /nfs/dbraw/zinc/84/34/78/1136843478.db2.gz GCNRIRHJDGPMNU-WMLDXEAASA-N -1 3 325.408 3.744 20 10 EHCDHM C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000817880748 1136843483 /nfs/dbraw/zinc/84/34/83/1136843483.db2.gz GCNRIRHJDGPMNU-WMLDXEAASA-N -1 3 325.408 3.744 20 10 EHCDHM O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1cccc(O)c1[O-] ZINC001136223774 1136940060 /nfs/dbraw/zinc/94/00/60/1136940060.db2.gz WECOUOPBXPTDFT-SFHVURJKSA-N -1 3 337.350 3.756 20 10 EHCDHM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000822349855 1137057827 /nfs/dbraw/zinc/05/78/27/1137057827.db2.gz LUBZHQWBERLYCV-MRXNPFEDSA-N -1 3 331.387 3.576 20 10 EHCDHM O=C(Nc1cccc(CCc2ccccn2)c1)c1cccc(O)c1[O-] ZINC001148213116 1137419670 /nfs/dbraw/zinc/41/96/70/1137419670.db2.gz WBWNFLQRHKLITB-UHFFFAOYSA-N -1 3 334.375 3.530 20 10 EHCDHM CC(CNC(=O)c1cccc(O)c1[O-])(c1ccccc1)c1ccccc1 ZINC001148219985 1137419980 /nfs/dbraw/zinc/41/99/80/1137419980.db2.gz JAJREVUDMLMUTP-UHFFFAOYSA-N -1 3 347.414 3.834 20 10 EHCDHM [O-]c1ccccc1C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCO1 ZINC000876531567 1137654644 /nfs/dbraw/zinc/65/46/44/1137654644.db2.gz JONONGWCGJCSNY-HNNXBMFYSA-N -1 3 349.377 3.557 20 10 EHCDHM [O-]c1ccccc1C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCCO1 ZINC000876531567 1137654645 /nfs/dbraw/zinc/65/46/45/1137654645.db2.gz JONONGWCGJCSNY-HNNXBMFYSA-N -1 3 349.377 3.557 20 10 EHCDHM COc1cc(F)c([C@H](C)NCc2cc(F)cc(F)c2[O-])cc1OC ZINC000882999878 1137841036 /nfs/dbraw/zinc/84/10/36/1137841036.db2.gz CIVVHKSVIPSEGG-VIFPVBQESA-N -1 3 341.329 3.678 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000883077422 1137843675 /nfs/dbraw/zinc/84/36/75/1137843675.db2.gz JJZVXLNQEDHWPZ-CQSZACIVSA-N -1 3 347.283 3.512 20 10 EHCDHM CC[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1nnc2n1CCCCC2 ZINC000886520448 1138089005 /nfs/dbraw/zinc/08/90/05/1138089005.db2.gz FEKGQPSQRXGYLR-GXTWGEPZSA-N -1 3 332.423 3.651 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000091081359 1138215787 /nfs/dbraw/zinc/21/57/87/1138215787.db2.gz ZSGGIKXOYXUYLS-INIZCTEOSA-N -1 3 347.846 3.925 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(n2ccnc2)CC1 ZINC000092648682 1138230440 /nfs/dbraw/zinc/23/04/40/1138230440.db2.gz IZMIEVRYXBRYJB-UHFFFAOYSA-N -1 3 326.227 3.733 20 10 EHCDHM C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC001599841329 988837742 /nfs/dbraw/zinc/83/77/42/988837742.db2.gz ZLIRPWCKICMOID-BMIGLBTASA-N -1 3 339.313 3.888 20 10 EHCDHM C[C@@H]([NH2+][C@H]1CCCc2c(F)cccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219037 994294767 /nfs/dbraw/zinc/29/47/67/994294767.db2.gz LRVNWYBLVLYRBW-DIFFPNOSSA-N -1 3 329.371 3.958 20 10 EHCDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1C ZINC001599571433 998371689 /nfs/dbraw/zinc/37/16/89/998371689.db2.gz CALUNZYOWVCJEO-INIZCTEOSA-N -1 3 337.778 3.712 20 10 EHCDHM COc1ccccc1CN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000321277173 1032434125 /nfs/dbraw/zinc/43/41/25/1032434125.db2.gz FQFAADOXTWKWDS-UHFFFAOYSA-N -1 3 333.815 3.889 20 10 EHCDHM C[C@H](N[C@H]1CCOc2c(F)cccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000277004592 1023674601 /nfs/dbraw/zinc/67/46/01/1023674601.db2.gz ZWSYHFCADZZNPE-BONVTDFDSA-N -1 3 332.331 3.614 20 10 EHCDHM Cc1ccc(C(=O)Nc2cccc3c2OC(C)(C)CC3)c([O-])c1O ZINC001167531447 1025043502 /nfs/dbraw/zinc/04/35/02/1025043502.db2.gz OJZGHRFLDGQGLY-UHFFFAOYSA-N -1 3 327.380 3.762 20 10 EHCDHM Cn1ccc(C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC000896502084 1025506038 /nfs/dbraw/zinc/50/60/38/1025506038.db2.gz VCDFONXUIGYUEM-UHFFFAOYSA-N -1 3 340.254 3.812 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(C)c(NC(C)=O)c2)c1 ZINC000273527114 1027476757 /nfs/dbraw/zinc/47/67/57/1027476757.db2.gz VNYMOPKWCBQGBV-GFCCVEGCSA-N -1 3 342.395 3.619 20 10 EHCDHM Cc1ccc(C(=O)Nc2cccc(COCC3CC3)c2)c([O-])c1O ZINC000177676467 1035311048 /nfs/dbraw/zinc/31/10/48/1035311048.db2.gz QOYSPLALDYBMDQ-UHFFFAOYSA-N -1 3 327.380 3.585 20 10 EHCDHM C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)c1cc(F)ccc1[O-] ZINC000185767906 1035529589 /nfs/dbraw/zinc/52/95/89/1035529589.db2.gz CASROEIYJVUKQJ-NEPJUHHUSA-N -1 3 327.359 3.993 20 10 EHCDHM C[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccc(F)cc1[O-] ZINC000186105206 1035586920 /nfs/dbraw/zinc/58/69/20/1035586920.db2.gz GSGXPAMHKHIVQE-LLVKDONJSA-N -1 3 329.400 3.901 20 10 EHCDHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])cc(OC)c1C(C)C ZINC000781022055 1041184365 /nfs/dbraw/zinc/18/43/65/1041184365.db2.gz VSPFCWJYFYCQDA-UHFFFAOYSA-N -1 3 345.395 3.799 20 10 EHCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000915186246 1121238100 /nfs/dbraw/zinc/23/81/00/1121238100.db2.gz NBIZBOBGHKMIEE-UHFFFAOYSA-N -1 3 337.400 3.764 20 10 EHCDHM O=C1OCc2cc(NCc3cc(Cl)c4cccnc4c3[O-])ccc21 ZINC001168522027 1122368187 /nfs/dbraw/zinc/36/81/87/1122368187.db2.gz NMBMDFXICDKBDD-UHFFFAOYSA-N -1 3 340.766 3.876 20 10 EHCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000743259506 1131885150 /nfs/dbraw/zinc/88/51/50/1131885150.db2.gz BNBMHTMMHOMYGN-UHFFFAOYSA-N -1 3 335.425 3.536 20 10 EHCDHM Cc1ccc(NCc2c([O-])cccc2Cl)cc1N1CCOC1=O ZINC000746054012 1132358041 /nfs/dbraw/zinc/35/80/41/1132358041.db2.gz KTMDMVDEFPTICI-UHFFFAOYSA-N -1 3 332.787 3.923 20 10 EHCDHM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000804285203 1132545546 /nfs/dbraw/zinc/54/55/46/1132545546.db2.gz IDQDIIIRJRPLOZ-HXUWFJFHSA-N -1 3 325.408 3.682 20 10 EHCDHM CN(CC(=O)Nc1cccc(Cl)c1)Cc1c([O-])cccc1Cl ZINC000768303354 1133122756 /nfs/dbraw/zinc/12/27/56/1133122756.db2.gz MJSKVHUVKXLYGB-UHFFFAOYSA-N -1 3 339.222 3.770 20 10 EHCDHM [O-]c1ccc(Br)cc1CN1CCOC2(CCCCC2)C1 ZINC000769492703 1133300731 /nfs/dbraw/zinc/30/07/31/1133300731.db2.gz MBXMPLCAVDHYPN-UHFFFAOYSA-N -1 3 340.261 3.690 20 10 EHCDHM CC[C@@H](NCc1ccn(-c2ccccc2)n1)c1ccc(F)cc1[O-] ZINC000796730384 1133757519 /nfs/dbraw/zinc/75/75/19/1133757519.db2.gz QYBKTYOWVHNCFU-GOSISDBHSA-N -1 3 325.387 3.958 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CN[C@H]1CCOc2c(F)cccc21 ZINC000785993433 1133788411 /nfs/dbraw/zinc/78/84/11/1133788411.db2.gz XONBIXNLAPCSFK-AWEZNQCLSA-N -1 3 325.742 3.937 20 10 EHCDHM CC[C@H]1c2ccsc2CCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774841811 1134052034 /nfs/dbraw/zinc/05/20/34/1134052034.db2.gz XSEIMCMVCAEIGO-ZDUSSCGKSA-N -1 3 348.424 3.880 20 10 EHCDHM CCN(CC)c1ccc(CN(C)C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000788138195 1134084551 /nfs/dbraw/zinc/08/45/51/1134084551.db2.gz GUUSBRUBNRDBFE-UHFFFAOYSA-N -1 3 342.439 3.519 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](CC(F)(F)F)C2)c1[O-] ZINC000775138855 1134368096 /nfs/dbraw/zinc/36/80/96/1134368096.db2.gz VPCPESKXZJCLPJ-MRVPVSSYSA-N -1 3 338.713 3.728 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000790876701 1134474594 /nfs/dbraw/zinc/47/45/94/1134474594.db2.gz ZRSDBWLZKSXPTM-OAQYLSRUSA-N -1 3 337.419 3.608 20 10 EHCDHM C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])N1CCCCCC1 ZINC000807837776 1135579986 /nfs/dbraw/zinc/57/99/86/1135579986.db2.gz CARCWPPVHITMAA-NSHDSACASA-N -1 3 345.270 3.580 20 10 EHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])Nc1ccccc1 ZINC001201957954 1136078480 /nfs/dbraw/zinc/07/84/80/1136078480.db2.gz GCAMXNVKAOBLMO-UHFFFAOYSA-N -1 3 327.771 3.916 20 10 EHCDHM CC1(C)CN(Cc2cccc(Br)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000811511101 1136102018 /nfs/dbraw/zinc/10/20/18/1136102018.db2.gz VAGZIJFNISCILU-UKRRQHHQSA-N -1 3 340.261 3.544 20 10 EHCDHM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cccc(O)c1[O-] ZINC000776343623 1136159443 /nfs/dbraw/zinc/15/94/43/1136159443.db2.gz RXVGSDLVSZKZIX-CQSZACIVSA-N -1 3 349.333 3.507 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCOC[C@@H](C2CCC2)C1 ZINC000814178198 1136412321 /nfs/dbraw/zinc/41/23/21/1136412321.db2.gz GUEKZCWPBVPARQ-ZDUSSCGKSA-N -1 3 330.255 3.948 20 10 EHCDHM C[C@@]12CCN(Cc3cccc(Br)c3[O-])C[C@@H]1C2(F)F ZINC000814169273 1136414706 /nfs/dbraw/zinc/41/47/06/1136414706.db2.gz FXRAGLWXDKLTAF-WCQYABFASA-N -1 3 332.188 3.632 20 10 EHCDHM CSc1nc2ccc(NC(=O)c3cccc(O)c3[O-])cc2s1 ZINC000776597481 1136459534 /nfs/dbraw/zinc/45/95/34/1136459534.db2.gz SVGZOMKRROZQJI-UHFFFAOYSA-N -1 3 332.406 3.682 20 10 EHCDHM C[C@H](NCc1cnccc1C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000853241821 1136521515 /nfs/dbraw/zinc/52/15/15/1136521515.db2.gz NMUPMSYIOVWGGC-QMMMGPOBSA-N -1 3 332.272 3.935 20 10 EHCDHM C[C@H](NCc1cccc([O-])c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000815118418 1136551736 /nfs/dbraw/zinc/55/17/36/1136551736.db2.gz HHWIMFMNKFSSOA-AWEZNQCLSA-N -1 3 346.858 3.733 20 10 EHCDHM CC(C)[C@@]1(CO)CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000816661998 1136746659 /nfs/dbraw/zinc/74/66/59/1136746659.db2.gz DZLIZESHAFPZHY-INIZCTEOSA-N -1 3 332.271 3.930 20 10 EHCDHM Cc1ccc2c(c1C)OC[C@@H]2NCc1c([O-])cccc1Br ZINC000858129509 1136942138 /nfs/dbraw/zinc/94/21/38/1136942138.db2.gz LYWXDEXYANDZEP-HNNXBMFYSA-N -1 3 348.240 3.995 20 10 EHCDHM COc1cccc2c1CN(Cc1c([O-])cccc1Br)C2 ZINC000862529596 1137148304 /nfs/dbraw/zinc/14/83/04/1137148304.db2.gz ONLRPVAPAYFDBK-UHFFFAOYSA-N -1 3 334.213 3.679 20 10 EHCDHM CCc1cc(Cl)cnc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000862532621 1137148574 /nfs/dbraw/zinc/14/85/74/1137148574.db2.gz BHZQTAWBBLBPIR-UHFFFAOYSA-N -1 3 337.763 3.532 20 10 EHCDHM CO[C@H](C)c1nc(CNCc2cc(Cl)c(C)cc2[O-])cs1 ZINC000825326519 1137173221 /nfs/dbraw/zinc/17/32/21/1137173221.db2.gz RDIWJJQCSRASAA-SNVBAGLBSA-N -1 3 326.849 3.808 20 10 EHCDHM C[C@H](N[C@H](Cc1ccccc1)c1nccn1C)c1ccc(F)cc1[O-] ZINC000846207395 1137339208 /nfs/dbraw/zinc/33/92/08/1137339208.db2.gz NVDPXKJOOHANDC-KBXCAEBGSA-N -1 3 339.414 3.899 20 10 EHCDHM O=c1ccc(NCc2cc3ccccc3cc2[O-])cn1-c1ccccn1 ZINC001171407705 1137473538 /nfs/dbraw/zinc/47/35/38/1137473538.db2.gz UTOLLBGDIJQXMF-UHFFFAOYSA-N -1 3 343.386 3.703 20 10 EHCDHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000876795608 1137661473 /nfs/dbraw/zinc/66/14/73/1137661473.db2.gz RYJASQQTMVSNEU-QVQLBTGDSA-N -1 3 339.407 3.601 20 10 EHCDHM C[C@@H](NC1(c2ncccn2)CCC1)c1cc(Br)ccc1[O-] ZINC000883311737 1137854049 /nfs/dbraw/zinc/85/40/49/1137854049.db2.gz KBYLXDIVIZSRNA-LLVKDONJSA-N -1 3 348.244 3.675 20 10 EHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])NC1CCCCC1 ZINC001202619416 1137888059 /nfs/dbraw/zinc/88/80/59/1137888059.db2.gz APYOHPLCWGLEHM-UHFFFAOYSA-N -1 3 333.819 3.726 20 10 EHCDHM C[C@H](NCc1ccncc1OCC(F)(F)F)c1c([O-])cccc1F ZINC000886605203 1138101034 /nfs/dbraw/zinc/10/10/34/1138101034.db2.gz LRNVSWNOTUBSIY-JTQLQIEISA-N -1 3 344.308 3.718 20 10 EHCDHM C[C@H](N[C@H](Cc1ccccc1)c1nccn1C)c1c([O-])cccc1F ZINC000886631678 1138104148 /nfs/dbraw/zinc/10/41/48/1138104148.db2.gz UBYWEJOFXJKQAZ-WMLDXEAASA-N -1 3 339.414 3.899 20 10 EHCDHM C[C@@H]1COCCN1c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000151272250 1139021373 /nfs/dbraw/zinc/02/13/73/1139021373.db2.gz QLHDWZHSDUOLMI-CYBMUJFWSA-N -1 3 332.831 3.883 20 10 EHCDHM COC[C@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC001599174259 996810336 /nfs/dbraw/zinc/81/03/36/996810336.db2.gz UYQKLNXXNRKTMO-ZBEGNZNMSA-N -1 3 349.814 3.782 20 10 EHCDHM CC(C)c1c(NC(=O)c2cccc(O)c2[O-])cnn1-c1ccccc1 ZINC000377238805 1017514749 /nfs/dbraw/zinc/51/47/49/1017514749.db2.gz LSFLGZLCUYEJNJ-UHFFFAOYSA-N -1 3 337.379 3.659 20 10 EHCDHM C[C@H](c1ccccn1)N(C)Cc1cc(Br)cc(F)c1[O-] ZINC000894421763 1022261158 /nfs/dbraw/zinc/26/11/58/1022261158.db2.gz GMJMHBTYGZAFSM-SNVBAGLBSA-N -1 3 339.208 3.882 20 10 EHCDHM Cc1cc(Br)c([O-])c(CN(C)Cc2ccns2)c1 ZINC000895453583 1024511046 /nfs/dbraw/zinc/51/10/46/1024511046.db2.gz OKNACSNBFCNJBH-UHFFFAOYSA-N -1 3 327.247 3.552 20 10 EHCDHM COc1ccc(OC)c([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273377039 1027400131 /nfs/dbraw/zinc/40/01/31/1027400131.db2.gz HLOXPYUYWGRVBO-NWDGAFQWSA-N -1 3 346.383 3.729 20 10 EHCDHM CCC(CC)c1cc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])on1 ZINC000273558409 1027492487 /nfs/dbraw/zinc/49/24/87/1027492487.db2.gz HKIJQHLMULIFGS-LBPRGKRZSA-N -1 3 346.427 3.921 20 10 EHCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000123894679 1029065173 /nfs/dbraw/zinc/06/51/73/1029065173.db2.gz UHULSTHGDRIPLK-UHFFFAOYSA-N -1 3 347.436 3.560 20 10 EHCDHM COc1c([O-])c(CN([C@@H](C)c2ccco2)C2CC2)ccc1[N+](=O)[O-] ZINC000278274879 1029899181 /nfs/dbraw/zinc/89/91/81/1029899181.db2.gz SGHGBZLTVRHRBT-NSHDSACASA-N -1 3 332.356 3.628 20 10 EHCDHM C[C@@H](N[C@H](C)c1cc(F)ccc1[O-])c1noc(-c2ccccc2)n1 ZINC000185767943 1035529630 /nfs/dbraw/zinc/52/96/30/1035529630.db2.gz CASROEIYJVUKQJ-VXGBXAGGSA-N -1 3 327.359 3.993 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1nc2ccccc2s1 ZINC000188093644 1035894347 /nfs/dbraw/zinc/89/43/47/1035894347.db2.gz DUJOKAPRZIXHCI-ZDUSSCGKSA-N -1 3 340.404 3.685 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccccc2SC(F)F)c([O-])c1O ZINC000181816878 1038490635 /nfs/dbraw/zinc/49/06/35/1038490635.db2.gz VFDHGIMXHAWPRR-UHFFFAOYSA-N -1 3 325.336 3.973 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)nc2)c([O-])c1O ZINC001142642582 1040985038 /nfs/dbraw/zinc/98/50/38/1040985038.db2.gz IOLSDJMIUUSHGV-UHFFFAOYSA-N -1 3 335.363 3.797 20 10 EHCDHM C[C@H](Nc1ccn(CCc2ccncc2)n1)c1ccc(F)cc1[O-] ZINC000186334360 1128394764 /nfs/dbraw/zinc/39/47/64/1128394764.db2.gz FORVKSGAYUYOEZ-ZDUSSCGKSA-N -1 3 326.375 3.539 20 10 EHCDHM [O-]c1c(CNc2nncc3ccoc32)cc(Cl)c2cccnc12 ZINC001168521426 1122353871 /nfs/dbraw/zinc/35/38/71/1122353871.db2.gz BRUQMHNIKKZZKS-UHFFFAOYSA-N -1 3 326.743 3.742 20 10 EHCDHM CCc1nnc(NCc2cc(Cl)c3cccnc3c2[O-])nc1CC ZINC001168523104 1122576576 /nfs/dbraw/zinc/57/65/76/1122576576.db2.gz ZUZOTEKNSQJENX-UHFFFAOYSA-N -1 3 343.818 3.516 20 10 EHCDHM [O-]c1c(CNc2cc(F)c3nccn3c2)cc(Cl)c2cccnc12 ZINC001168525432 1123665662 /nfs/dbraw/zinc/66/56/62/1123665662.db2.gz DBGMRWIEZNZZPY-UHFFFAOYSA-N -1 3 342.761 3.993 20 10 EHCDHM [O-]c1cccc(Cl)c1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC000768885720 1133196656 /nfs/dbraw/zinc/19/66/56/1133196656.db2.gz JKCLGDWYGNDFQX-UHFFFAOYSA-N -1 3 339.826 3.790 20 10 EHCDHM O=C1CCCN1Cc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000770403003 1133423786 /nfs/dbraw/zinc/42/37/86/1133423786.db2.gz YPWVYSRDVUDZHC-UHFFFAOYSA-N -1 3 330.815 3.780 20 10 EHCDHM COc1c([O-])c(CN2CCC[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774834169 1134035939 /nfs/dbraw/zinc/03/59/39/1134035939.db2.gz AXNJXXCBXBYOJJ-OAHLLOKOSA-N -1 3 346.358 3.785 20 10 EHCDHM COc1c([O-])c(CNc2cc(SC)ccc2C)ccc1[N+](=O)[O-] ZINC000774941007 1134140121 /nfs/dbraw/zinc/14/01/21/1134140121.db2.gz GQIVVSXHFKREFX-UHFFFAOYSA-N -1 3 334.397 3.951 20 10 EHCDHM Cc1ccc(CN(C)Cc2cc(C)cc(Br)c2[O-])nc1 ZINC000789590661 1134299313 /nfs/dbraw/zinc/29/93/13/1134299313.db2.gz XMYZXEKZDIHDFN-UHFFFAOYSA-N -1 3 335.245 3.799 20 10 EHCDHM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000790785823 1134465425 /nfs/dbraw/zinc/46/54/25/1134465425.db2.gz YOACYDSONITONM-ZDUSSCGKSA-N -1 3 345.704 3.785 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2cccc3c2CCCC3)c(C)c(C)c1O ZINC000775291147 1134615837 /nfs/dbraw/zinc/61/58/37/1134615837.db2.gz BJQHLZUFFRSMFG-UHFFFAOYSA-N -1 3 345.464 3.997 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCN(C)c3cc(F)ccc32)c1[O-] ZINC001191970468 1134952499 /nfs/dbraw/zinc/95/24/99/1134952499.db2.gz XCJLJDFFRMGENO-UHFFFAOYSA-N -1 3 348.805 3.844 20 10 EHCDHM [O-]c1ccc(Br)cc1C[NH2+]Cc1c([O-])cccc1Cl ZINC000809713114 1135876313 /nfs/dbraw/zinc/87/63/13/1135876313.db2.gz IWMJFKBBBKJXRZ-UHFFFAOYSA-N -1 3 342.620 3.804 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1ccc(-c2cc[nH]n2)o1 ZINC000809775987 1135881799 /nfs/dbraw/zinc/88/17/99/1135881799.db2.gz NWQVDPMSYCCWGK-UHFFFAOYSA-N -1 3 338.194 3.972 20 10 EHCDHM CC1(C)CN(Cc2cccc(Br)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000811511100 1136101964 /nfs/dbraw/zinc/10/19/64/1136101964.db2.gz VAGZIJFNISCILU-HIFRSBDPSA-N -1 3 340.261 3.544 20 10 EHCDHM Cc1cc(Br)c([O-])c(CN2CCOCc3ccccc32)c1 ZINC000811508535 1136101990 /nfs/dbraw/zinc/10/19/90/1136101990.db2.gz VMLDGRLQISRKNB-UHFFFAOYSA-N -1 3 348.240 4.000 20 10 EHCDHM CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000776341794 1136160576 /nfs/dbraw/zinc/16/05/76/1136160576.db2.gz ZDGSWJQVSSDCMN-AWEZNQCLSA-N -1 3 343.423 3.636 20 10 EHCDHM C[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000850499461 1136272236 /nfs/dbraw/zinc/27/22/36/1136272236.db2.gz QDJWGDFFTZCXJE-LWINAJNOSA-N -1 3 327.215 3.647 20 10 EHCDHM CCN(Cc1nc(C)oc1C)Cc1cc(Br)ccc1[O-] ZINC000851792982 1136407504 /nfs/dbraw/zinc/40/75/04/1136407504.db2.gz QTEBXJQOYWKJLP-UHFFFAOYSA-N -1 3 339.233 3.782 20 10 EHCDHM CCc1nnc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000815627870 1136621508 /nfs/dbraw/zinc/62/15/08/1136621508.db2.gz LZCGVSWPSCXJST-MRVPVSSYSA-N -1 3 331.363 3.676 20 10 EHCDHM CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc([O-])c1Cl ZINC000816482360 1136723025 /nfs/dbraw/zinc/72/30/25/1136723025.db2.gz CSCUFFGCIBWHKB-UHFFFAOYSA-N -1 3 346.858 3.514 20 10 EHCDHM Cn1c(CNCc2cc(Cl)c(F)cc2[O-])nc2cc(F)ccc21 ZINC000816553410 1136735815 /nfs/dbraw/zinc/73/58/15/1136735815.db2.gz UNBDWBPHAZWMHN-UHFFFAOYSA-N -1 3 337.757 3.500 20 10 EHCDHM O=C(NCc1ccc(COc2ccccc2)cc1)c1cccc(O)c1[O-] ZINC001136244975 1136953752 /nfs/dbraw/zinc/95/37/52/1136953752.db2.gz WKNXOPMNJOWURU-UHFFFAOYSA-N -1 3 349.386 3.607 20 10 EHCDHM COc1c([O-])c(CNc2ccc3c(c2)CCCC3)ccc1[N+](=O)[O-] ZINC000824620422 1137146975 /nfs/dbraw/zinc/14/69/75/1137146975.db2.gz NVSFOOYBIHEYMY-UHFFFAOYSA-N -1 3 328.368 3.800 20 10 EHCDHM C[N@H+](Cc1ccccc1[O-])Cc1cc(Br)c(F)cc1[O-] ZINC001144306672 1137270831 /nfs/dbraw/zinc/27/08/31/1137270831.db2.gz LSBKCOVHZJRAFX-UHFFFAOYSA-N -1 3 340.192 3.631 20 10 EHCDHM C[N@@H+](Cc1ccccc1[O-])Cc1cc(Br)c(F)cc1[O-] ZINC001144306672 1137270832 /nfs/dbraw/zinc/27/08/32/1137270832.db2.gz LSBKCOVHZJRAFX-UHFFFAOYSA-N -1 3 340.192 3.631 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000846107528 1137332880 /nfs/dbraw/zinc/33/28/80/1137332880.db2.gz IXDJGDBXAAINGL-CYBMUJFWSA-N -1 3 332.188 3.776 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CCc3ccccc3C2)CC1 ZINC000846292135 1137345611 /nfs/dbraw/zinc/34/56/11/1137345611.db2.gz NTUDWWYKQNZOFH-UHFFFAOYSA-N -1 3 337.419 3.509 20 10 EHCDHM C[C@H](NCc1nn(C)cc1C(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000866568261 1137365375 /nfs/dbraw/zinc/36/53/75/1137365375.db2.gz SJGYOXTUUHEJRZ-QMMMGPOBSA-N -1 3 349.303 3.933 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](CF)c2ccc(F)cc2)c1 ZINC000866597036 1137367713 /nfs/dbraw/zinc/36/77/13/1137367713.db2.gz WKQYANAFNJRLTA-BDJLRTHQSA-N -1 3 335.350 3.679 20 10 EHCDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])c1nccn1-c1ccccc1 ZINC001202619347 1137887899 /nfs/dbraw/zinc/88/78/99/1137887899.db2.gz SUNBIFVTHDMMRA-GFCCVEGCSA-N -1 3 329.350 3.707 20 10 EHCDHM Cc1ccc(CN[C@H](C)c2c([O-])cccc2F)c(O[C@@H]2CCOC2)c1 ZINC000886538149 1138093036 /nfs/dbraw/zinc/09/30/36/1138093036.db2.gz CHCGOHRGBXAWQV-GDBMZVCRSA-N -1 3 345.414 3.858 20 10 EHCDHM Cc1c(N[C@@H](C)c2c([O-])cccc2F)cccc1N1CCOC1=O ZINC000886586807 1138099708 /nfs/dbraw/zinc/09/97/08/1138099708.db2.gz XMOSZZLVQYWAFW-LBPRGKRZSA-N -1 3 330.359 3.969 20 10 EHCDHM C[C@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225900 994351546 /nfs/dbraw/zinc/35/15/46/994351546.db2.gz ZZCMIJWGHWBPPR-LWOUBBNUSA-N -1 3 325.355 3.709 20 10 EHCDHM COc1cc(Cl)cc(C[NH2+][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1[O-] ZINC001599420325 997583473 /nfs/dbraw/zinc/58/34/73/997583473.db2.gz FSLQWUNEJVSVTQ-MRXNPFEDSA-N -1 3 349.814 3.587 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN(CCO)Cc2ccc(C)cc2)c1[O-] ZINC000783032436 1017961546 /nfs/dbraw/zinc/96/15/46/1017961546.db2.gz ZKNUVYBUNQKOTC-UHFFFAOYSA-N -1 3 347.842 3.551 20 10 EHCDHM Cc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c([O-])c1O ZINC000177662007 1018260244 /nfs/dbraw/zinc/26/02/44/1018260244.db2.gz YJUCBUBVNNPCGX-UHFFFAOYSA-N -1 3 327.167 3.548 20 10 EHCDHM C[C@@]1(O)CCCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000894603559 1022597860 /nfs/dbraw/zinc/59/78/60/1022597860.db2.gz TVZGKRSTJOSEAX-CQSZACIVSA-N -1 3 348.668 3.545 20 10 EHCDHM Cn1ccc([C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000896491973 1025481745 /nfs/dbraw/zinc/48/17/45/1025481745.db2.gz HJRNNGZKMHJRCN-LLVKDONJSA-N -1 3 340.254 3.812 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2c(F)cccc2F)c1 ZINC000273384867 1027405748 /nfs/dbraw/zinc/40/57/48/1027405748.db2.gz JDQQDIMNMLCEIN-MNOVXSKESA-N -1 3 335.350 3.869 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)NC2(c3nc(C)cs3)CCC2)c1 ZINC000273475530 1027446003 /nfs/dbraw/zinc/44/60/03/1027446003.db2.gz KUCGJHBLIYJTDZ-LBPRGKRZSA-N -1 3 346.452 3.674 20 10 EHCDHM CC(C)(C)OCc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC000928708727 1028204357 /nfs/dbraw/zinc/20/43/57/1028204357.db2.gz RRCNIVSIMFWSGA-UHFFFAOYSA-N -1 3 331.387 3.776 20 10 EHCDHM Cc1ccc(C(=O)Nc2cc(Br)ccc2F)c([O-])c1O ZINC000179444049 1034313176 /nfs/dbraw/zinc/31/31/76/1034313176.db2.gz WTCKWJOEVLJTID-UHFFFAOYSA-N -1 3 340.148 3.560 20 10 EHCDHM C[C@@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000186652700 1035679517 /nfs/dbraw/zinc/67/95/17/1035679517.db2.gz DQUVSJOJWCLNBF-BLVKFPJESA-N -1 3 343.377 3.844 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(n2cccn2)CC1 ZINC000092617972 1040451732 /nfs/dbraw/zinc/45/17/32/1040451732.db2.gz OXPYHABTEOLLMR-UHFFFAOYSA-N -1 3 326.227 3.733 20 10 EHCDHM CCCc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168527413 1126820160 /nfs/dbraw/zinc/82/01/60/1126820160.db2.gz HEILZRAHVINZHM-UHFFFAOYSA-N -1 3 328.803 3.948 20 10 EHCDHM C[C@@H](N[C@H](C)c1cc(F)ccc1[O-])c1noc(Cc2ccccc2)n1 ZINC000185667523 1126975986 /nfs/dbraw/zinc/97/59/86/1126975986.db2.gz HZYSDVMQTVCNTR-CHWSQXEVSA-N -1 3 341.386 3.917 20 10 EHCDHM O=C(Nc1ccc(COC2CCCC2)cc1)c1cccc(O)c1[O-] ZINC000185713575 1126992056 /nfs/dbraw/zinc/99/20/56/1126992056.db2.gz PBDANWKBVAYRDO-UHFFFAOYSA-N -1 3 327.380 3.809 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000185814576 1127058718 /nfs/dbraw/zinc/05/87/18/1127058718.db2.gz BKJTWYDHMHKXMX-UHFFFAOYSA-N -1 3 347.361 3.961 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc2c(c1)C(=O)CCCC2 ZINC001671018655 1128443627 /nfs/dbraw/zinc/44/36/27/1128443627.db2.gz XDXZOLCXRUMQFO-UHFFFAOYSA-N -1 3 342.370 3.762 20 10 EHCDHM Cc1nc2c[nH]cc(NCc3cc(Cl)c4cccnc4c3[O-])c-2n1 ZINC001168526301 1125156663 /nfs/dbraw/zinc/15/66/63/1125156663.db2.gz VLMGGWWIUDLGKU-UHFFFAOYSA-N -1 3 339.786 3.786 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc3cnn(C(C)C)c3c2)c([O-])c1O ZINC000182280396 1125241630 /nfs/dbraw/zinc/24/16/30/1125241630.db2.gz CPJNEWCXZXEPKX-UHFFFAOYSA-N -1 3 325.368 3.589 20 10 EHCDHM C[C@H](NCc1ccc(Cl)cc1[O-])c1nc(Cc2ccccc2)no1 ZINC001181435503 1133492358 /nfs/dbraw/zinc/49/23/58/1133492358.db2.gz DSJCURSRKZXCNC-LBPRGKRZSA-N -1 3 343.814 3.870 20 10 EHCDHM CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2O1 ZINC000785666973 1133740041 /nfs/dbraw/zinc/74/00/41/1133740041.db2.gz BSGAGDKAHLGQCB-SFHVURJKSA-N -1 3 329.352 3.556 20 10 EHCDHM CC[C@H](NCc1ccn(-c2ccccc2)n1)c1ccc(F)cc1[O-] ZINC000796730389 1133758447 /nfs/dbraw/zinc/75/84/47/1133758447.db2.gz QYBKTYOWVHNCFU-SFHVURJKSA-N -1 3 325.387 3.958 20 10 EHCDHM Cc1cc([O-])c(CN2CCS[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC001183831403 1133861818 /nfs/dbraw/zinc/86/18/18/1133861818.db2.gz BLSJXWNHFITJQC-LBPRGKRZSA-N -1 3 325.783 3.834 20 10 EHCDHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(N(C)C)cc1 ZINC000787299533 1133985375 /nfs/dbraw/zinc/98/53/75/1133985375.db2.gz ITOOQIJRDLJLGH-CQSZACIVSA-N -1 3 344.430 3.797 20 10 EHCDHM COc1c([O-])c(CN(Cc2ccc(F)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000774816127 1134025559 /nfs/dbraw/zinc/02/55/59/1134025559.db2.gz YQXPKMHYJAIGCX-UHFFFAOYSA-N -1 3 346.358 3.613 20 10 EHCDHM COc1c([O-])c(CNc2ccc(-c3cnco3)cc2)ccc1[N+](=O)[O-] ZINC000774820968 1134031843 /nfs/dbraw/zinc/03/18/43/1134031843.db2.gz JVUSPRAQIBZUKR-UHFFFAOYSA-N -1 3 341.323 3.576 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(Cl)nn2)c1 ZINC000787788547 1134041105 /nfs/dbraw/zinc/04/11/05/1134041105.db2.gz QACWITCRIUBHBB-UHFFFAOYSA-N -1 3 328.597 3.519 20 10 EHCDHM Cc1nnc([C@H](C)N[C@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000788742450 1134169117 /nfs/dbraw/zinc/16/91/17/1134169117.db2.gz WGHDSAIZQJEUSZ-SFYZADRCSA-N -1 3 331.363 3.983 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000790546499 1134433161 /nfs/dbraw/zinc/43/31/61/1134433161.db2.gz KLCMQWQTSDRBBT-LLVKDONJSA-N -1 3 349.789 3.738 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000790589500 1134440261 /nfs/dbraw/zinc/44/02/61/1134440261.db2.gz HUJJBEGWCZLKBZ-UHFFFAOYSA-N -1 3 336.391 3.599 20 10 EHCDHM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790880061 1134474721 /nfs/dbraw/zinc/47/47/21/1134474721.db2.gz YNCBMIUXKJVJGP-HXUWFJFHSA-N -1 3 325.408 3.583 20 10 EHCDHM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc(O)c1[O-] ZINC000790890892 1134476680 /nfs/dbraw/zinc/47/66/80/1134476680.db2.gz KLKZQYCSZAXGAK-UHFFFAOYSA-N -1 3 347.783 3.522 20 10 EHCDHM Cc1cc(Br)c([O-])c(CN2CCO[C@H](C(C)(C)C)C2)c1 ZINC000790930639 1134479561 /nfs/dbraw/zinc/47/95/61/1134479561.db2.gz GDFFNFBFGQURRZ-AWEZNQCLSA-N -1 3 342.277 3.710 20 10 EHCDHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1C ZINC000775292214 1134615939 /nfs/dbraw/zinc/61/59/39/1134615939.db2.gz WASKJBKHBBSOPZ-UHFFFAOYSA-N -1 3 349.452 3.825 20 10 EHCDHM CCCC[C@H](C)NC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001193087169 1135097785 /nfs/dbraw/zinc/09/77/85/1135097785.db2.gz YNBBNADPTRZSML-NSHDSACASA-N -1 3 335.835 3.972 20 10 EHCDHM CC(C)(C)c1nc2cc(NC(=O)c3cccc(O)c3[O-])ccc2o1 ZINC000776331130 1136155958 /nfs/dbraw/zinc/15/59/58/1136155958.db2.gz UQWOEBSOUJKPQK-UHFFFAOYSA-N -1 3 326.352 3.789 20 10 EHCDHM O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(O)c1[O-] ZINC000776618328 1136478413 /nfs/dbraw/zinc/47/84/13/1136478413.db2.gz XNWCJXSTNQFDBH-UHFFFAOYSA-N -1 3 345.358 3.893 20 10 EHCDHM COc1ccc(CN(C)Cc2cc(Cl)c(F)cc2[O-])cc1F ZINC000816482954 1136723849 /nfs/dbraw/zinc/72/38/49/1136723849.db2.gz ZUKJDMYBKRKDFA-UHFFFAOYSA-N -1 3 327.758 3.964 20 10 EHCDHM Cc1ccc(CC2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1C ZINC000816785321 1136753791 /nfs/dbraw/zinc/75/37/91/1136753791.db2.gz HNDSHIIOBDWZTG-UHFFFAOYSA-N -1 3 339.435 3.810 20 10 EHCDHM CC[C@H](N[C@H](C)c1ncc(C(=O)OC)s1)c1ccc(F)cc1[O-] ZINC000818357028 1136875809 /nfs/dbraw/zinc/87/58/09/1136875809.db2.gz URFQYMBAJOUOEX-SKDRFNHKSA-N -1 3 338.404 3.576 20 10 EHCDHM [O-]c1cc(Br)ccc1CN1CCO[C@@H](c2ccccc2)C1 ZINC000824548003 1137144101 /nfs/dbraw/zinc/14/41/01/1137144101.db2.gz HHXWJOVEANYNHX-QGZVFWFLSA-N -1 3 348.240 3.728 20 10 EHCDHM Cc1cc([O-])c(CN[C@@H](C)c2nnc3n2CCCCC3)cc1Cl ZINC000825097790 1137165328 /nfs/dbraw/zinc/16/53/28/1137165328.db2.gz ZOAKRHBILJOUCN-LBPRGKRZSA-N -1 3 334.851 3.523 20 10 EHCDHM CCN(Cc1cccnc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144300212 1137267725 /nfs/dbraw/zinc/26/77/25/1137267725.db2.gz XLQHKQSJLIJWPW-UHFFFAOYSA-N -1 3 339.208 3.711 20 10 EHCDHM CC1(C)C[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2cc(F)ccc2O1 ZINC000846052837 1137330811 /nfs/dbraw/zinc/33/08/11/1137330811.db2.gz RJLQLCICZZMXNN-OAHLLOKOSA-N -1 3 346.358 3.832 20 10 EHCDHM Cc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c(O)c1 ZINC001148505941 1137427019 /nfs/dbraw/zinc/42/70/19/1137427019.db2.gz LUUPDPBTDXFVOQ-UHFFFAOYSA-N -1 3 342.782 3.538 20 10 EHCDHM Cc1ccc(NCc2cc3ccccc3cc2O)cc1-c1nn[n-]n1 ZINC001171407223 1137473507 /nfs/dbraw/zinc/47/35/07/1137473507.db2.gz MOKVFUHXFOSZEA-UHFFFAOYSA-N -1 3 331.379 3.646 20 10 EHCDHM [O-]c1c(CN[C@H]2CCc3cc(F)c(F)c(F)c32)ccc(F)c1F ZINC000877570195 1137681529 /nfs/dbraw/zinc/68/15/29/1137681529.db2.gz DUJFDKWPQNTWQC-NSHDSACASA-N -1 3 329.268 3.865 20 10 EHCDHM COc1cc(N[C@@H](C)c2c([O-])cccc2F)ccc1N1CCCC1=O ZINC000886580319 1138098835 /nfs/dbraw/zinc/09/88/35/1138098835.db2.gz FNUNNYZMYWMGCM-LBPRGKRZSA-N -1 3 344.386 3.840 20 10 EHCDHM C[C@H](NCc1nccn1CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000185661494 1140161793 /nfs/dbraw/zinc/16/17/93/1140161793.db2.gz BETIAMHYCNXIKK-HNNXBMFYSA-N -1 3 339.414 3.821 20 10 EHCDHM COc1ccc2ccc([O-])c(C[NH+]3CCC(CCC(=O)[O-])CC3)c2c1 ZINC000832504207 601798305 /nfs/dbraw/zinc/79/83/05/601798305.db2.gz HKVLYHBGOFTNMD-UHFFFAOYSA-N -1 3 343.423 3.631 20 10 EHCDHM CCCOc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001595960742 983154342 /nfs/dbraw/zinc/15/43/42/983154342.db2.gz NPEWYSOWAHUUAW-CYBMUJFWSA-N -1 3 329.396 3.730 20 10 EHCDHM CC(C)C[N@H+](CC(=O)[O-])Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001591303250 992250212 /nfs/dbraw/zinc/25/02/12/992250212.db2.gz NDTOZFJJFPLCHM-UHFFFAOYSA-N -1 3 343.423 3.514 20 10 EHCDHM CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001591303250 992250223 /nfs/dbraw/zinc/25/02/23/992250223.db2.gz NDTOZFJJFPLCHM-UHFFFAOYSA-N -1 3 343.423 3.514 20 10 EHCDHM C[C@@H]([NH2+]CCCO[C@H](C)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593266373 994580071 /nfs/dbraw/zinc/58/00/71/994580071.db2.gz CVTVYMILQHWFJT-HUUCEWRRSA-N -1 3 343.423 3.909 20 10 EHCDHM CC(C)(C)c1ncc(/C=C\C(=O)NCc2c([O-])cccc2F)s1 ZINC000928706153 1028102598 /nfs/dbraw/zinc/10/25/98/1028102598.db2.gz SDXVLUPRXQOSQA-FPLPWBNLSA-N -1 3 334.416 3.615 20 10 EHCDHM [O-]c1c(Cl)cccc1CN1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000271896754 1029220248 /nfs/dbraw/zinc/22/02/48/1029220248.db2.gz YLXWJZLHRSVHOJ-ZDUSSCGKSA-N -1 3 333.819 3.686 20 10 EHCDHM [O-]c1c(CNc2ncnc3ccoc32)cc(Cl)c2cccnc12 ZINC001168527419 1126820212 /nfs/dbraw/zinc/82/02/12/1126820212.db2.gz HJSABROOBPNCEN-UHFFFAOYSA-N -1 3 326.743 3.742 20 10 EHCDHM Cc1ccc(C[C@H](NC(=O)c2cccc(O)c2[O-])c2ccccn2)cc1 ZINC000185666122 1126975398 /nfs/dbraw/zinc/97/53/98/1126975398.db2.gz ZZTLANHYRIFWOH-SFHVURJKSA-N -1 3 348.402 3.515 20 10 EHCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000316020015 1121521733 /nfs/dbraw/zinc/52/17/33/1121521733.db2.gz BWDJTFMVTXWQQC-UHFFFAOYSA-N -1 3 331.315 3.520 20 10 EHCDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000130604008 1122874392 /nfs/dbraw/zinc/87/43/92/1122874392.db2.gz LQGUEVOYKDVLMD-KRWDZBQOSA-N -1 3 339.769 3.897 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CNCc1cnn(Cc2ccccc2)c1 ZINC001177226909 1133043635 /nfs/dbraw/zinc/04/36/35/1133043635.db2.gz XBECDXBFVMWROO-UHFFFAOYSA-N -1 3 345.805 3.719 20 10 EHCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)ccc1Br ZINC001178413315 1133167474 /nfs/dbraw/zinc/16/74/74/1133167474.db2.gz QKTMZIPCJKMNOC-UHFFFAOYSA-N -1 3 338.176 3.532 20 10 EHCDHM [O-]c1ccc(Cl)cc1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC000768886129 1133196633 /nfs/dbraw/zinc/19/66/33/1133196633.db2.gz MDATZESOOXRHEU-UHFFFAOYSA-N -1 3 339.826 3.790 20 10 EHCDHM Cc1ccc2c(c1)nc(CNCc1cc(Cl)cc(F)c1[O-])n2C ZINC000769556826 1133314184 /nfs/dbraw/zinc/31/41/84/1133314184.db2.gz SUTUEJKQSHUDLP-UHFFFAOYSA-N -1 3 333.794 3.670 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1O ZINC000771219916 1133529242 /nfs/dbraw/zinc/52/92/42/1133529242.db2.gz MZUWPSCZJSDTQJ-UHFFFAOYSA-N -1 3 349.305 3.659 20 10 EHCDHM COc1c([O-])c(CNc2cccc([C@@H](C)OC)c2)ccc1[N+](=O)[O-] ZINC000774938374 1134138588 /nfs/dbraw/zinc/13/85/88/1134138588.db2.gz WQMDIOMIMFOAQO-LLVKDONJSA-N -1 3 332.356 3.629 20 10 EHCDHM COc1ccc(Cl)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774941077 1134139119 /nfs/dbraw/zinc/13/91/19/1134139119.db2.gz IANPVTDYCGAHDS-UHFFFAOYSA-N -1 3 338.747 3.583 20 10 EHCDHM O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cccc(O)c1[O-] ZINC000790481512 1134423255 /nfs/dbraw/zinc/42/32/55/1134423255.db2.gz CBPVUEVHLYJWRV-INIZCTEOSA-N -1 3 343.379 3.818 20 10 EHCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1C(F)(F)F ZINC000790574894 1134442385 /nfs/dbraw/zinc/44/23/85/1134442385.db2.gz UAGKXWGYAAKMKI-SECBINFHSA-N -1 3 325.286 3.608 20 10 EHCDHM O=C(NC1CCC(c2ccc(F)cc2)CC1)c1cccc(O)c1[O-] ZINC000790925583 1134478729 /nfs/dbraw/zinc/47/87/29/1134478729.db2.gz BZPRMPCXKPWURH-UHFFFAOYSA-N -1 3 329.371 3.693 20 10 EHCDHM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1cccc(O)c1[O-] ZINC000790922545 1134478766 /nfs/dbraw/zinc/47/87/66/1134478766.db2.gz PGKAIDWKLAVFEZ-OAHLLOKOSA-N -1 3 327.355 3.603 20 10 EHCDHM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)ccc2c1 ZINC001191963927 1134951210 /nfs/dbraw/zinc/95/12/10/1134951210.db2.gz XPEDFGSPYDMICH-UHFFFAOYSA-N -1 3 343.404 3.663 20 10 EHCDHM CC[C@H](N[C@H](CO)c1ccccc1OC)c1cccc(Cl)c1[O-] ZINC000806145377 1135401145 /nfs/dbraw/zinc/40/11/45/1135401145.db2.gz BADDUMYFIOPKTR-JKSUJKDBSA-N -1 3 335.831 3.829 20 10 EHCDHM CN(Cc1cccc(Cl)c1[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000775706682 1135543895 /nfs/dbraw/zinc/54/38/95/1135543895.db2.gz CBXGBTCHNJVCMH-QGZVFWFLSA-N -1 3 344.842 3.673 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518480 1136097589 /nfs/dbraw/zinc/09/75/89/1136097589.db2.gz LQBOLCROBGGWOA-GDBMZVCRSA-N -1 3 325.811 3.718 20 10 EHCDHM Cc1cc(Br)c([O-])c(CN2CCC(F)(F)[C@H](C)C2)c1 ZINC000811511569 1136103308 /nfs/dbraw/zinc/10/33/08/1136103308.db2.gz NNEPXHOVDJOHKG-SNVBAGLBSA-N -1 3 334.204 3.940 20 10 EHCDHM C[C@@H](NCc1cccc(OC2CC2)c1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850521639 1136276249 /nfs/dbraw/zinc/27/62/49/1136276249.db2.gz ZUZLYZROLUXICB-LLVKDONJSA-N -1 3 346.358 3.832 20 10 EHCDHM COc1ccc(CN(C)Cc2cc(Cl)c(F)cc2[O-])cc1OC ZINC000816481933 1136723827 /nfs/dbraw/zinc/72/38/27/1136723827.db2.gz OABPSGJCDHMTIO-UHFFFAOYSA-N -1 3 339.794 3.834 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@]2(C1)OCc1ccccc12 ZINC000816571141 1136738782 /nfs/dbraw/zinc/73/87/82/1136738782.db2.gz SXYJAQBSZDTGCO-GOSISDBHSA-N -1 3 333.790 3.816 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000816656086 1136745535 /nfs/dbraw/zinc/74/55/35/1136745535.db2.gz DVIQTQNMUWKGDU-INIZCTEOSA-N -1 3 325.811 3.576 20 10 EHCDHM [O-]c1cccc(Br)c1CN(Cc1ccccn1)C1CC1 ZINC000862369541 1137140961 /nfs/dbraw/zinc/14/09/61/1137140961.db2.gz WFGKPTCQJZZLRJ-UHFFFAOYSA-N -1 3 333.229 3.714 20 10 EHCDHM Cc1cc([O-])c(CN2CCO[C@@H](c3cccc(O)c3)C2)cc1Cl ZINC000824820061 1137153893 /nfs/dbraw/zinc/15/38/93/1137153893.db2.gz ZBFJPGIISWNSQG-GOSISDBHSA-N -1 3 333.815 3.633 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2nnc([C@@H]3C[C@@H]3C)o2)c1 ZINC000865294966 1137275180 /nfs/dbraw/zinc/27/51/80/1137275180.db2.gz VXOZVALRANMOFY-WCBMZHEXSA-N -1 3 338.205 3.582 20 10 EHCDHM C[C@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1ccc(F)cc1[O-] ZINC000846207397 1137339297 /nfs/dbraw/zinc/33/92/97/1137339297.db2.gz NVDPXKJOOHANDC-KSSFIOAISA-N -1 3 339.414 3.899 20 10 EHCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCc2ccc(Cl)cc21 ZINC000846436749 1137350244 /nfs/dbraw/zinc/35/02/44/1137350244.db2.gz JYKFVDFRHQJNEV-LLVKDONJSA-N -1 3 331.799 3.553 20 10 EHCDHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000876795607 1137661516 /nfs/dbraw/zinc/66/15/16/1137661516.db2.gz RYJASQQTMVSNEU-BSNNYGBQSA-N -1 3 339.407 3.601 20 10 EHCDHM Cn1c2ccccc2nc1C(C)(C)NCc1cc(F)cc(F)c1[O-] ZINC000883089528 1137844225 /nfs/dbraw/zinc/84/42/25/1137844225.db2.gz MIFSRAXLZKXWRT-UHFFFAOYSA-N -1 3 331.366 3.582 20 10 EHCDHM O=[N+]([O-])c1ccc([O-])c(CNC2(c3ccc(F)cc3F)CCC2)c1 ZINC000136135683 1138019578 /nfs/dbraw/zinc/01/95/78/1138019578.db2.gz KVOCARUDBGTWTF-UHFFFAOYSA-N -1 3 334.322 3.748 20 10 EHCDHM C[C@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1c([O-])cccc1F ZINC000886586364 1138099784 /nfs/dbraw/zinc/09/97/84/1138099784.db2.gz QIJKJGJWFADKDS-KBPBESRZSA-N -1 3 330.403 3.930 20 10 EHCDHM CC[C@@H](N[C@@H](CCO)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000886803540 1138144319 /nfs/dbraw/zinc/14/43/19/1138144319.db2.gz KNDKYIWZDMTQQO-PWSUYJOCSA-N -1 3 345.283 3.765 20 10 EHCDHM COc1ccc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1O ZINC000177214715 1139604895 /nfs/dbraw/zinc/60/48/95/1139604895.db2.gz XNOBRAKSJKVBQW-UHFFFAOYSA-N -1 3 349.814 3.594 20 10 EHCDHM C[C@H](Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(F)cc1[O-] ZINC000186435045 1140203961 /nfs/dbraw/zinc/20/39/61/1140203961.db2.gz IUCXXJIGUUQGJZ-LBPRGKRZSA-N -1 3 334.366 3.680 20 10 EHCDHM COC[C@H](N[C@H](C)c1ccc(F)c(F)c1[O-])c1ccc(F)c(F)c1 ZINC000187828596 1140273347 /nfs/dbraw/zinc/27/33/47/1140273347.db2.gz BONCFAJZRSWWHU-PSLIRLAXSA-N -1 3 343.320 3.987 20 10 EHCDHM CC(C)(C)c1cnc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)o1 ZINC000069917580 203062814 /nfs/dbraw/zinc/06/28/14/203062814.db2.gz WFZXTJUPLFFYFG-MRXNPFEDSA-N -1 3 344.455 3.859 20 10 EHCDHM CCC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@@H](O)c1ccccc1 ZINC001595600875 981584251 /nfs/dbraw/zinc/58/42/51/981584251.db2.gz PBBVQSNQBHMEHP-IXDGSTSKSA-N -1 3 343.423 3.643 20 10 EHCDHM C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1C(F)(F)F)c1ccccc1[O-] ZINC001599901305 984834846 /nfs/dbraw/zinc/83/48/46/984834846.db2.gz IELLWDMMQOIATB-JTQLQIEISA-N -1 3 339.313 3.960 20 10 EHCDHM C[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252766 994508351 /nfs/dbraw/zinc/50/83/51/994508351.db2.gz VCHUIMWWNLCLHU-VXGBXAGGSA-N -1 3 327.371 3.957 20 10 EHCDHM C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274157 994622744 /nfs/dbraw/zinc/62/27/44/994622744.db2.gz IHOGMPRPMPGUIP-LLVKDONJSA-N -1 3 342.370 3.604 20 10 EHCDHM COc1ccc(Cl)cc1CN[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001599578357 998484393 /nfs/dbraw/zinc/48/43/93/998484393.db2.gz XPYQSJYTAZIEQV-SNVBAGLBSA-N -1 3 335.787 3.603 20 10 EHCDHM CCc1nnc([C@H](C)N[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])[nH]1 ZINC000278365635 1030401873 /nfs/dbraw/zinc/40/18/73/1030401873.db2.gz BSQZZQXIVGXRND-YUMQZZPRSA-N -1 3 329.231 3.791 20 10 EHCDHM CC1(C)CN(CC(F)(F)F)CCN1Cc1cc(Cl)ccc1[O-] ZINC000761225805 1034803206 /nfs/dbraw/zinc/80/32/06/1034803206.db2.gz ISYDZDIZVVCMPX-UHFFFAOYSA-N -1 3 336.785 3.504 20 10 EHCDHM CCOC[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000530106773 1034969122 /nfs/dbraw/zinc/96/91/22/1034969122.db2.gz NYVKCFNHBRUZFN-HNNXBMFYSA-N -1 3 341.407 3.529 20 10 EHCDHM O=C(Nc1ccccc1CCC(F)(F)F)c1cccc(O)c1[O-] ZINC000185833939 1127111519 /nfs/dbraw/zinc/11/15/19/1127111519.db2.gz NVQGOHHBTKGVDO-UHFFFAOYSA-N -1 3 325.286 3.845 20 10 EHCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000130604213 1122872150 /nfs/dbraw/zinc/87/21/50/1122872150.db2.gz LQGUEVOYKDVLMD-QGZVFWFLSA-N -1 3 339.769 3.897 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN(CCCO)Cc2ccccc2)c1[O-] ZINC000767903082 1133070371 /nfs/dbraw/zinc/07/03/71/1133070371.db2.gz YGEYMVPWTKHJLF-UHFFFAOYSA-N -1 3 347.842 3.633 20 10 EHCDHM Cc1nc(-c2ccc(C(=O)NCc3c([O-])cccc3F)s2)cs1 ZINC001178413922 1133167174 /nfs/dbraw/zinc/16/71/74/1133167174.db2.gz ZUNMAFGJBQMWFI-UHFFFAOYSA-N -1 3 348.424 3.955 20 10 EHCDHM Cc1cc([C@H]2CCCN2Cc2cccc(Br)c2[O-])on1 ZINC000768877717 1133194867 /nfs/dbraw/zinc/19/48/67/1133194867.db2.gz KHGGGKXCEBJOQE-CYBMUJFWSA-N -1 3 337.217 3.788 20 10 EHCDHM CC1(C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)OCCO1 ZINC000769398806 1133275850 /nfs/dbraw/zinc/27/58/50/1133275850.db2.gz DUIPBKNDOZFMKP-UHFFFAOYSA-N -1 3 346.254 3.674 20 10 EHCDHM O=C1CCCN1c1ccc(NCc2c([O-])cccc2Cl)cc1F ZINC000770421192 1133427001 /nfs/dbraw/zinc/42/70/01/1133427001.db2.gz QJVDNBUNFDACAQ-UHFFFAOYSA-N -1 3 334.778 3.924 20 10 EHCDHM O=C(c1ccc(NCc2cc(F)c(F)cc2[O-])cc1)N1CCCC1 ZINC001181304332 1133477657 /nfs/dbraw/zinc/47/76/57/1133477657.db2.gz HNSZLARDSXAUJU-UHFFFAOYSA-N -1 3 332.350 3.519 20 10 EHCDHM Cc1cc([O-])c(CN2CCS[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC001183831398 1133862684 /nfs/dbraw/zinc/86/26/84/1133862684.db2.gz BLSJXWNHFITJQC-GFCCVEGCSA-N -1 3 325.783 3.834 20 10 EHCDHM Cc1c(N[C@H](C)c2ccc(F)cc2[O-])cccc1N1CCNC1=O ZINC000786984667 1133936068 /nfs/dbraw/zinc/93/60/68/1133936068.db2.gz GRKFDENKRPGIQE-GFCCVEGCSA-N -1 3 329.375 3.542 20 10 EHCDHM C[C@@H](NCc1csc(N(C)C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000788611662 1134151798 /nfs/dbraw/zinc/15/17/98/1134151798.db2.gz NXQSWKVSOAGURA-SECBINFHSA-N -1 3 345.390 3.784 20 10 EHCDHM Cc1nnc([C@@H](C)N[C@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000788742443 1134169071 /nfs/dbraw/zinc/16/90/71/1134169071.db2.gz WGHDSAIZQJEUSZ-HTQZYQBOSA-N -1 3 331.363 3.983 20 10 EHCDHM [O-]c1ccc(Br)cc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001203635541 1134186307 /nfs/dbraw/zinc/18/63/07/1134186307.db2.gz ABFNBGRAQYLILP-LBPRGKRZSA-N -1 3 338.167 3.724 20 10 EHCDHM COc1c2ccccc2oc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000788978872 1134205949 /nfs/dbraw/zinc/20/59/49/1134205949.db2.gz AMDWFZXUWLURDQ-NSHDSACASA-N -1 3 342.351 3.906 20 10 EHCDHM COc1c([O-])c(CN(C)c2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000775119671 1134336166 /nfs/dbraw/zinc/33/61/66/1134336166.db2.gz VHDLRVKTPILNIE-UHFFFAOYSA-N -1 3 346.383 3.733 20 10 EHCDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000792237284 1134670649 /nfs/dbraw/zinc/67/06/49/1134670649.db2.gz AWYKAYUNUYHDAO-GFCCVEGCSA-N -1 3 337.375 3.751 20 10 EHCDHM COc1cc(NCc2c([O-])cccc2Cl)cc(-n2cccn2)c1 ZINC000793268983 1134892674 /nfs/dbraw/zinc/89/26/74/1134892674.db2.gz KDAYAIQECMNHIS-UHFFFAOYSA-N -1 3 329.787 3.852 20 10 EHCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(-c2cccs2)cc1 ZINC001194130748 1135230033 /nfs/dbraw/zinc/23/00/33/1135230033.db2.gz FMPKUMNAMPSVNI-UHFFFAOYSA-N -1 3 331.418 3.922 20 10 EHCDHM CN(Cc1nc(-c2cccs2)no1)Cc1cc(Cl)ccc1[O-] ZINC000809687041 1135872129 /nfs/dbraw/zinc/87/21/29/1135872129.db2.gz BRCFOCISNIOAHW-UHFFFAOYSA-N -1 3 335.816 3.789 20 10 EHCDHM Cc1ccc(-c2csc(NC(=O)c3cccc(O)c3[O-])n2)s1 ZINC000776324007 1136155392 /nfs/dbraw/zinc/15/53/92/1136155392.db2.gz UJRSYYWOHGXWQH-UHFFFAOYSA-N -1 3 332.406 3.844 20 10 EHCDHM Cc1cc(Br)c([O-])c(CN[C@H](C)c2cscn2)c1 ZINC000850359733 1136240870 /nfs/dbraw/zinc/24/08/70/1136240870.db2.gz PJMLBMMMVQWWII-SECBINFHSA-N -1 3 327.247 3.770 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)ccc1O ZINC000776748435 1136624409 /nfs/dbraw/zinc/62/44/09/1136624409.db2.gz IKGULHQBXBUVSC-UHFFFAOYSA-N -1 3 345.342 3.829 20 10 EHCDHM Cc1cc([C@H]2CCCN2Cc2ccc(Br)cc2[O-])no1 ZINC000824576003 1137143343 /nfs/dbraw/zinc/14/33/43/1137143343.db2.gz WXFQONASTDWSDE-CQSZACIVSA-N -1 3 337.217 3.788 20 10 EHCDHM COc1ccccc1[C@@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000865821397 1137314377 /nfs/dbraw/zinc/31/43/77/1137314377.db2.gz USKBBDYPUYHTED-SNVBAGLBSA-N -1 3 336.775 3.813 20 10 EHCDHM C[C@H](O)[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1F ZINC000846015543 1137326165 /nfs/dbraw/zinc/32/61/65/1137326165.db2.gz YGSHKNKPWCVSOX-FVMDXXJSSA-N -1 3 327.758 3.536 20 10 EHCDHM Cc1nccnc1[C@@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000872135629 1137573536 /nfs/dbraw/zinc/57/35/36/1137573536.db2.gz XNADQJLFWCOXBQ-GXSJLCMTSA-N -1 3 325.334 3.921 20 10 EHCDHM COc1ccc(OC(F)F)c(CNCc2ccc(F)c(F)c2[O-])c1 ZINC000877084036 1137669847 /nfs/dbraw/zinc/66/98/47/1137669847.db2.gz IQMOHFYOTBWARC-UHFFFAOYSA-N -1 3 345.292 3.570 20 10 EHCDHM CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000881657041 1137812766 /nfs/dbraw/zinc/81/27/66/1137812766.db2.gz JZGAPEYWVCPYEC-ZDUSSCGKSA-N -1 3 347.361 3.784 20 10 EHCDHM C[C@@H](c1cccc(NCc2cc(F)cc(F)c2[O-])c1)N1CCOCC1 ZINC000883062376 1137843183 /nfs/dbraw/zinc/84/31/83/1137843183.db2.gz AEACUOYKHRVZPB-ZDUSSCGKSA-N -1 3 348.393 3.676 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000883077421 1137843699 /nfs/dbraw/zinc/84/36/99/1137843699.db2.gz JJZVXLNQEDHWPZ-AWEZNQCLSA-N -1 3 347.283 3.512 20 10 EHCDHM C[C@H](N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1c([O-])cccc1F ZINC000886558067 1138096505 /nfs/dbraw/zinc/09/65/05/1138096505.db2.gz ASHJTKPZNUEEJB-HZMBPMFUSA-N -1 3 343.320 3.934 20 10 EHCDHM C[C@H](N[C@H](c1ccccc1)c1ccncc1)c1cc(C(=O)[O-])ccc1O ZINC001593208595 994228741 /nfs/dbraw/zinc/22/87/41/994228741.db2.gz DITINQNQKSIAGK-VBKZILBWSA-N -1 3 348.402 3.926 20 10 EHCDHM C[C@@H]([NH2+]C1CCC2(CC2(F)F)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225901 994351281 /nfs/dbraw/zinc/35/12/81/994351281.db2.gz ZZCMIJWGHWBPPR-WCVRRQIGSA-N -1 3 325.355 3.709 20 10 EHCDHM C[C@H]([NH2+]CCc1nsc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274797 994626543 /nfs/dbraw/zinc/62/65/43/994626543.db2.gz OEFNCKFKLMARQZ-NSHDSACASA-N -1 3 342.420 3.593 20 10 EHCDHM COC[C@@H](N[C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC001599174256 996811493 /nfs/dbraw/zinc/81/14/93/996811493.db2.gz UYQKLNXXNRKTMO-BDJLRTHQSA-N -1 3 349.814 3.782 20 10 EHCDHM COc1ccc(Cl)cc1CN[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001599578356 998484014 /nfs/dbraw/zinc/48/40/14/998484014.db2.gz XPYQSJYTAZIEQV-JTQLQIEISA-N -1 3 335.787 3.603 20 10 EHCDHM C[C@H](c1ccncc1)N(C)Cc1cc(Br)cc(F)c1[O-] ZINC000894450344 1022297989 /nfs/dbraw/zinc/29/79/89/1022297989.db2.gz YZLHQNCQJHKQQS-SNVBAGLBSA-N -1 3 339.208 3.882 20 10 EHCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H](Sc2ccncc2)C1 ZINC001142524724 1033228363 /nfs/dbraw/zinc/22/83/63/1033228363.db2.gz IHZRVEAHCRBUPU-AWEZNQCLSA-N -1 3 336.407 3.822 20 10 EHCDHM COc1ccc(F)cc1[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273404466 1027414687 /nfs/dbraw/zinc/41/46/87/1027414687.db2.gz OAYRRAOFRDOVQQ-GHMZBOCLSA-N -1 3 334.347 3.860 20 10 EHCDHM CCC(CC)c1cc(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])on1 ZINC000273558406 1027492642 /nfs/dbraw/zinc/49/26/42/1027492642.db2.gz HKIJQHLMULIFGS-GFCCVEGCSA-N -1 3 346.427 3.921 20 10 EHCDHM C[C@H]1COc2ccccc2CN1Cc1cccc(Br)c1[O-] ZINC000783596745 1027569550 /nfs/dbraw/zinc/56/95/50/1027569550.db2.gz GLZIOLCMCHHULN-LBPRGKRZSA-N -1 3 348.240 3.938 20 10 EHCDHM CCc1nnc([C@@H](C)N[C@H](C)c2cc(Cl)c(Cl)cc2[O-])[nH]1 ZINC000278365619 1030399773 /nfs/dbraw/zinc/39/97/73/1030399773.db2.gz BSQZZQXIVGXRND-HTQZYQBOSA-N -1 3 329.231 3.791 20 10 EHCDHM COC(=O)c1ccc([C@H]2CCCN2Cc2cc(F)c(F)cc2[O-])cc1 ZINC001142534648 1033344460 /nfs/dbraw/zinc/34/44/60/1033344460.db2.gz QRSFRKXUNDJGEQ-QGZVFWFLSA-N -1 3 347.361 3.794 20 10 EHCDHM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000529944823 1034805750 /nfs/dbraw/zinc/80/57/50/1034805750.db2.gz SUYVSNBVCKWBMM-HNNXBMFYSA-N -1 3 329.371 3.645 20 10 EHCDHM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000529944825 1034806684 /nfs/dbraw/zinc/80/66/84/1034806684.db2.gz SUYVSNBVCKWBMM-OAHLLOKOSA-N -1 3 329.371 3.645 20 10 EHCDHM CCCOc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278827105 1039241998 /nfs/dbraw/zinc/24/19/98/1039241998.db2.gz IHHSSBSIZPYCMH-UHFFFAOYSA-N -1 3 332.356 3.710 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(C)c(OCC(F)F)c2)c([O-])c1O ZINC000780917953 1039944591 /nfs/dbraw/zinc/94/45/91/1039944591.db2.gz BVHXDZFTIUURCE-UHFFFAOYSA-N -1 3 337.322 3.611 20 10 EHCDHM Cc1cccc(CN(C)Cc2cc(Br)cc(F)c2[O-])n1 ZINC000894049788 1040010099 /nfs/dbraw/zinc/01/00/99/1040010099.db2.gz LNLIJOMZADLBCH-UHFFFAOYSA-N -1 3 339.208 3.629 20 10 EHCDHM COc1c([O-])c(CNc2ccccc2OCC2CC2)ccc1[N+](=O)[O-] ZINC000278886452 1042838570 /nfs/dbraw/zinc/83/85/70/1042838570.db2.gz PAECNKBFEYVPEQ-UHFFFAOYSA-N -1 3 344.367 3.710 20 10 EHCDHM [O-]c1c(CN=c2cccc(Cl)n2F)cc(Cl)c2cccnc12 ZINC001168528635 1126926718 /nfs/dbraw/zinc/92/67/18/1126926718.db2.gz XDKKDTXYMGQLEM-UHFFFAOYSA-N -1 3 338.169 3.882 20 10 EHCDHM Cc1cc(C(F)(F)F)ncc1NC(=O)NCc1c([O-])cccc1F ZINC001670662494 1120097603 /nfs/dbraw/zinc/09/76/03/1120097603.db2.gz DTIPCAHCUPLTFY-UHFFFAOYSA-N -1 3 343.280 3.575 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2ccc(C3CC3)nn2)c1 ZINC000762652593 1121394835 /nfs/dbraw/zinc/39/48/35/1121394835.db2.gz QXZPRBWRZOLFMU-UHFFFAOYSA-N -1 3 334.217 3.743 20 10 EHCDHM COc1cc([O-])c(CN2CCCC[C@@](C)(F)C2)c(Br)c1 ZINC001237064359 1125257911 /nfs/dbraw/zinc/25/79/11/1125257911.db2.gz HTNSHMBUSHBOMZ-OAHLLOKOSA-N -1 3 346.240 3.877 20 10 EHCDHM C[C@](O)(C1CCN(Cc2cccc(Cl)c2[O-])CC1)C(F)(F)F ZINC000768533257 1133151568 /nfs/dbraw/zinc/15/15/68/1133151568.db2.gz PYGLTNGSGBAIFO-AWEZNQCLSA-N -1 3 337.769 3.571 20 10 EHCDHM COC(=O)CN(Cc1ccc(C)s1)Cc1cc(Cl)ccc1[O-] ZINC000769380272 1133273460 /nfs/dbraw/zinc/27/34/60/1133273460.db2.gz FPWILLXQLNMOJZ-UHFFFAOYSA-N -1 3 339.844 3.591 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CC=C(C(F)(F)F)CC1 ZINC000769485280 1133288923 /nfs/dbraw/zinc/28/89/23/1133288923.db2.gz MMDCDTJBHMPSOU-UHFFFAOYSA-N -1 3 336.151 3.849 20 10 EHCDHM C[C@H](CC(F)(F)F)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001179870687 1133296710 /nfs/dbraw/zinc/29/67/10/1133296710.db2.gz UWDWXGRMNKPIJF-MRVPVSSYSA-N -1 3 346.736 3.799 20 10 EHCDHM [O-]c1cc(Br)ccc1CN1CCOC[C@@H]1c1ccccc1 ZINC001180058304 1133323603 /nfs/dbraw/zinc/32/36/03/1133323603.db2.gz QBRJBQQQPDBZPE-MRXNPFEDSA-N -1 3 348.240 3.728 20 10 EHCDHM Cc1cc([O-])c(CN2CCO[C@@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001180349992 1133360208 /nfs/dbraw/zinc/36/02/08/1133360208.db2.gz RZVGTQBQZGLVIQ-INIZCTEOSA-N -1 3 331.843 3.798 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1Cc2ncccc2N2CCC[C@H]2C1 ZINC001184217515 1133909457 /nfs/dbraw/zinc/90/94/57/1133909457.db2.gz FRSOMFVXRROVTL-LBPRGKRZSA-N -1 3 347.821 3.564 20 10 EHCDHM C[C@@H](N[C@H](CCO)c1ccco1)c1cccc(C(F)(F)F)c1[O-] ZINC000788749134 1134169505 /nfs/dbraw/zinc/16/95/05/1134169505.db2.gz CLTWEBACUXCZNB-ZWNOBZJWSA-N -1 3 329.318 3.778 20 10 EHCDHM COc1c([O-])c(CNc2cccc3c2CCCC3)ccc1[N+](=O)[O-] ZINC000774976277 1134173268 /nfs/dbraw/zinc/17/32/68/1134173268.db2.gz KLMKFXKWOVRBGB-UHFFFAOYSA-N -1 3 328.368 3.800 20 10 EHCDHM CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(O)c1[O-] ZINC000790466443 1134426891 /nfs/dbraw/zinc/42/68/91/1134426891.db2.gz NUENJADBTIIYSV-UHFFFAOYSA-N -1 3 326.179 3.677 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000790876698 1134474540 /nfs/dbraw/zinc/47/45/40/1134474540.db2.gz ZRSDBWLZKSXPTM-NRFANRHFSA-N -1 3 337.419 3.608 20 10 EHCDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])nn1C1CCCCC1 ZINC000793566461 1134958089 /nfs/dbraw/zinc/95/80/89/1134958089.db2.gz BEFBDCQEINDASQ-UHFFFAOYSA-N -1 3 329.400 3.669 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3ccccc3)CC2)c1[O-] ZINC001198705010 1135850435 /nfs/dbraw/zinc/85/04/35/1135850435.db2.gz GGEOLXJBPDDKAT-IBGZPJMESA-N -1 3 343.398 3.698 20 10 EHCDHM CN(C)c1ccccc1CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809788124 1135892079 /nfs/dbraw/zinc/89/20/79/1135892079.db2.gz OADZXGJWJJNRMS-UHFFFAOYSA-N -1 3 349.818 3.652 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)ccc1O ZINC000776748477 1136624303 /nfs/dbraw/zinc/62/43/03/1136624303.db2.gz KLNMVDVIXKETAQ-UHFFFAOYSA-N -1 3 345.342 3.829 20 10 EHCDHM COCCN(Cc1cccs1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482802 1136723592 /nfs/dbraw/zinc/72/35/92/1136723592.db2.gz UDEATADDFKRUQJ-UHFFFAOYSA-N -1 3 329.824 3.895 20 10 EHCDHM [O-]c1c(CNCc2nc(-c3ccccc3)no2)ccc2ccccc21 ZINC000816569951 1136738175 /nfs/dbraw/zinc/73/81/75/1136738175.db2.gz CHFZRELFXHPZSL-UHFFFAOYSA-N -1 3 331.375 3.885 20 10 EHCDHM CC(C)OCc1nc([C@@H](C)NCc2ccc3ccccc3c2[O-])no1 ZINC000816616233 1136741759 /nfs/dbraw/zinc/74/17/59/1136741759.db2.gz RWQXWCDDMUNGMO-CYBMUJFWSA-N -1 3 341.411 3.704 20 10 EHCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](CO)c3ccccc32)c1 ZINC000816636930 1136743117 /nfs/dbraw/zinc/74/31/17/1136743117.db2.gz MGMLBHUTRBCOBS-ZDUSSCGKSA-N -1 3 348.240 3.559 20 10 EHCDHM COc1ccc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000858502155 1136974242 /nfs/dbraw/zinc/97/42/42/1136974242.db2.gz YOOVMHDXNRZMNO-RYUDHWBXSA-N -1 3 346.383 3.729 20 10 EHCDHM O=c1ccnc(C=Cc2ccc3c(c2)CCN3Cc2ccccc2)[n-]1 ZINC000794701730 1137236191 /nfs/dbraw/zinc/23/61/91/1137236191.db2.gz NVMJNNYAKOSHMB-CLFYSBASSA-N -1 3 329.403 3.915 20 10 EHCDHM CN(Cc1ccc(N2CCCC2)cc1)Cc1cc(F)c([O-])cc1F ZINC001144665986 1137324953 /nfs/dbraw/zinc/32/49/53/1137324953.db2.gz DPCQWVWSAWIMGY-UHFFFAOYSA-N -1 3 332.394 3.903 20 10 EHCDHM C[C@H](O)[C@H](NCc1cc(Cl)cc(F)c1[O-])c1ccccc1F ZINC000846017818 1137326253 /nfs/dbraw/zinc/32/62/53/1137326253.db2.gz QLOXQFPDYJIISZ-VFZGTOFNSA-N -1 3 327.758 3.536 20 10 EHCDHM Cc1nc(C)c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])s1 ZINC001147241914 1137403210 /nfs/dbraw/zinc/40/32/10/1137403210.db2.gz FVBIVBRGVZHKMZ-UHFFFAOYSA-N -1 3 347.827 3.597 20 10 EHCDHM Cc1cc(Oc2ccccc2)ncc1NC(=O)c1cccc(O)c1[O-] ZINC001148211939 1137419667 /nfs/dbraw/zinc/41/96/67/1137419667.db2.gz DIEAVTHOYCMPDM-UHFFFAOYSA-N -1 3 336.347 3.846 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CCCc3ccccc32)CC1 ZINC001148212241 1137419725 /nfs/dbraw/zinc/41/97/25/1137419725.db2.gz SQWQUOGMKVRSDJ-UHFFFAOYSA-N -1 3 337.419 3.608 20 10 EHCDHM C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3cc(O)c([O-])c(O)c3)c21 ZINC001148585885 1137428883 /nfs/dbraw/zinc/42/88/83/1137428883.db2.gz CJBWLCWBOSORKU-SNVBAGLBSA-N -1 3 327.380 3.841 20 10 EHCDHM C[C@@H](c1cccc(NCc2ccc(F)c(F)c2[O-])c1)N1CCOCC1 ZINC000876858293 1137663893 /nfs/dbraw/zinc/66/38/93/1137663893.db2.gz ASXOJYMCGKLZJD-ZDUSSCGKSA-N -1 3 348.393 3.676 20 10 EHCDHM COCCOc1cc(N[C@@H](C)c2c([O-])cccc2F)ccc1OC ZINC000886565885 1138097996 /nfs/dbraw/zinc/09/79/96/1138097996.db2.gz BTDKZDWXEMXUHA-LBPRGKRZSA-N -1 3 335.375 3.738 20 10 EHCDHM CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886568550 1138098353 /nfs/dbraw/zinc/09/83/53/1138098353.db2.gz NHERXYCZEHFOQJ-NWDGAFQWSA-N -1 3 332.375 3.678 20 10 EHCDHM Cc1ccc(N2CCOC2=O)cc1N[C@@H](C)c1c([O-])cccc1F ZINC000886586279 1138099684 /nfs/dbraw/zinc/09/96/84/1138099684.db2.gz OUEVPWTUOUDDRW-LBPRGKRZSA-N -1 3 330.359 3.969 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(c2ncc[nH]2)CC1 ZINC000271167697 1141317934 /nfs/dbraw/zinc/31/79/34/1141317934.db2.gz BWSXPOHFLZLZHF-UHFFFAOYSA-N -1 3 326.227 3.802 20 10 EHCDHM C[C@@H](NCc1cccc(OC(C)(C)C)n1)c1cc(C(=O)[O-])ccc1O ZINC001593305419 994763202 /nfs/dbraw/zinc/76/32/02/994763202.db2.gz ZHRAONOJVXXTNC-GFCCVEGCSA-N -1 3 344.411 3.514 20 10 EHCDHM Cc1nc(-c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)oc1C ZINC000780904204 1016738667 /nfs/dbraw/zinc/73/86/67/1016738667.db2.gz ODVKAIHLXDGWCW-UHFFFAOYSA-N -1 3 338.363 3.930 20 10 EHCDHM COc1ccccc1O[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142520069 1033212666 /nfs/dbraw/zinc/21/26/66/1033212666.db2.gz BDISWVIUEBCLQO-CQSZACIVSA-N -1 3 349.377 3.722 20 10 EHCDHM CC(C)(C)c1coc(CNCc2c([O-])cccc2Br)n1 ZINC000897942955 1033254446 /nfs/dbraw/zinc/25/44/46/1033254446.db2.gz VKZQOERDTTZWHI-UHFFFAOYSA-N -1 3 339.233 3.730 20 10 EHCDHM [O-]c1cccc(F)c1CNCc1cccc(F)c1OCC(F)(F)F ZINC000896641202 1025795869 /nfs/dbraw/zinc/79/58/69/1025795869.db2.gz MDWUJAKMYBEKDW-UHFFFAOYSA-N -1 3 347.283 3.901 20 10 EHCDHM Cc1cc([O-])c(CN[C@@H](C)c2noc(COC(C)C)n2)c(Cl)c1 ZINC000840948550 1027902544 /nfs/dbraw/zinc/90/25/44/1027902544.db2.gz VHMUOQVBULCHPA-NSHDSACASA-N -1 3 339.823 3.513 20 10 EHCDHM COc1cc(C)cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C ZINC000278568853 1031426469 /nfs/dbraw/zinc/42/64/69/1031426469.db2.gz GDRVGWJQNZYFKQ-UHFFFAOYSA-N -1 3 332.356 3.547 20 10 EHCDHM CC[C@@H](NCc1cnnn1CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000527915005 1031451253 /nfs/dbraw/zinc/45/12/53/1031451253.db2.gz LXRNPGUALINEQH-CYBMUJFWSA-N -1 3 329.231 3.551 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000192916251 1036554365 /nfs/dbraw/zinc/55/43/65/1036554365.db2.gz VVIXXGVWOKTWNS-UHFFFAOYSA-N -1 3 334.375 3.509 20 10 EHCDHM C[C@H](N[C@H](c1cnn(C)c1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000363849405 1038681005 /nfs/dbraw/zinc/68/10/05/1038681005.db2.gz GSFVNOQCZDVQLD-DJJJIMSYSA-N -1 3 325.387 3.705 20 10 EHCDHM [O-]c1c(CNc2cc3cncnc3cn2)cc(Cl)c2cccnc12 ZINC001168528720 1126930579 /nfs/dbraw/zinc/93/05/79/1126930579.db2.gz ZUFAMWUUEVBELV-UHFFFAOYSA-N -1 3 337.770 3.544 20 10 EHCDHM C[C@H](c1ccsc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000765714291 1127733198 /nfs/dbraw/zinc/73/31/98/1127733198.db2.gz UKQCCERUAQMNDZ-CYBMUJFWSA-N -1 3 336.888 3.986 20 10 EHCDHM Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c([O-])c1 ZINC000914507055 1120853667 /nfs/dbraw/zinc/85/36/67/1120853667.db2.gz YTODEJAYXSKUJS-UHFFFAOYSA-N -1 3 326.440 3.817 20 10 EHCDHM Cc1noc(COc2ccc(NCc3c([O-])cccc3Cl)cc2)n1 ZINC000132168720 1129087586 /nfs/dbraw/zinc/08/75/86/1129087586.db2.gz NVCCAIRRWUKSAK-UHFFFAOYSA-N -1 3 345.786 3.928 20 10 EHCDHM COC[C@H](C)N(Cc1cccc(OC)c1)Cc1c([O-])cccc1F ZINC001137839161 1130566168 /nfs/dbraw/zinc/56/61/68/1130566168.db2.gz UIRTZRVDYCIMCZ-AWEZNQCLSA-N -1 3 333.403 3.577 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1cccc2c1OCCO2 ZINC000733332285 1131028490 /nfs/dbraw/zinc/02/84/90/1131028490.db2.gz XJLGZNMNPXUOMF-UHFFFAOYSA-N -1 3 340.206 3.760 20 10 EHCDHM O=C(Nc1ccc(NCc2c([O-])cccc2Cl)cc1)[C@H]1CCCO1 ZINC000742367861 1131710992 /nfs/dbraw/zinc/71/09/92/1131710992.db2.gz NTGSIXYSVRHGFC-QGZVFWFLSA-N -1 3 346.814 3.775 20 10 EHCDHM Cc1cc(-c2ncccc2NC(=O)c2cccc(O)c2[O-])cs1 ZINC001177527417 1133075767 /nfs/dbraw/zinc/07/57/67/1133075767.db2.gz YCCNCWXISJGJRK-UHFFFAOYSA-N -1 3 326.377 3.782 20 10 EHCDHM CN(Cc1ccn(-c2ccccc2)n1)Cc1cc(Cl)ccc1[O-] ZINC000768917899 1133202851 /nfs/dbraw/zinc/20/28/51/1133202851.db2.gz BNMHSMVYBKOZQM-UHFFFAOYSA-N -1 3 327.815 3.863 20 10 EHCDHM [O-]c1cccc(Cl)c1CNc1ccc(-n2cncn2)c(Cl)c1 ZINC000770545060 1133443800 /nfs/dbraw/zinc/44/38/00/1133443800.db2.gz IRCKVZKMASHCSC-UHFFFAOYSA-N -1 3 335.194 3.892 20 10 EHCDHM C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774118133 1133614597 /nfs/dbraw/zinc/61/45/97/1133614597.db2.gz VOBHLXKZZKPNHM-RFAUZJTJSA-N -1 3 339.222 3.576 20 10 EHCDHM CC[C@]1(C)Oc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2O1 ZINC000785666970 1133739981 /nfs/dbraw/zinc/73/99/81/1133739981.db2.gz BSGAGDKAHLGQCB-GOSISDBHSA-N -1 3 329.352 3.556 20 10 EHCDHM O=[N+]([O-])c1ccc(NCc2c([O-])cccc2F)c(Br)c1 ZINC001187678193 1134366165 /nfs/dbraw/zinc/36/61/65/1134366165.db2.gz ZLLHROQRGPCRHW-UHFFFAOYSA-N -1 3 341.136 3.814 20 10 EHCDHM Cc1sc(NC(=O)c2cccc(O)c2[O-])nc1-c1ccccc1 ZINC000790511717 1134429263 /nfs/dbraw/zinc/42/92/63/1134429263.db2.gz DHJCCGAEBRHDIK-UHFFFAOYSA-N -1 3 326.377 3.782 20 10 EHCDHM Cc1cccc(CN(Cc2ccco2)C(=O)c2cccc(O)c2[O-])c1 ZINC000790522320 1134430578 /nfs/dbraw/zinc/43/05/78/1134430578.db2.gz CPFXBDXFEFGVQI-UHFFFAOYSA-N -1 3 337.375 3.842 20 10 EHCDHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000790890052 1134476924 /nfs/dbraw/zinc/47/69/24/1134476924.db2.gz PNLJIQSQQQAIBU-RDJZCZTQSA-N -1 3 325.408 3.815 20 10 EHCDHM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000790930643 1134479763 /nfs/dbraw/zinc/47/97/63/1134479763.db2.gz GDFFNFBFGQURRZ-CQSZACIVSA-N -1 3 342.277 3.710 20 10 EHCDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000790961934 1134486197 /nfs/dbraw/zinc/48/61/97/1134486197.db2.gz TYVZUSWYGGSMDI-MRVPVSSYSA-N -1 3 335.766 3.617 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(F)c(OC)cc2C)c1 ZINC000775562790 1135099035 /nfs/dbraw/zinc/09/90/35/1135099035.db2.gz KZGQCTUQEYZPMW-LLVKDONJSA-N -1 3 333.359 3.808 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCC[C@H]1c1ccncc1 ZINC000809728810 1135872443 /nfs/dbraw/zinc/87/24/43/1135872443.db2.gz IPEBJXMTRWZYSZ-HNNXBMFYSA-N -1 3 333.229 3.887 20 10 EHCDHM C[C@@H](NCc1cccnc1N1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000850502161 1136272916 /nfs/dbraw/zinc/27/29/16/1136272916.db2.gz SCOZLIXVCYDXFZ-GFCCVEGCSA-N -1 3 333.382 3.516 20 10 EHCDHM COC[C@H](N[C@H](C)c1cc(F)cc(F)c1[O-])c1cccc(OC)c1 ZINC000850514029 1136274493 /nfs/dbraw/zinc/27/44/93/1136274493.db2.gz KSJUITLHZJHZRI-DIFFPNOSSA-N -1 3 337.366 3.717 20 10 EHCDHM CCc1nc(C)c(CNCc2cc(C)cc(Br)c2[O-])o1 ZINC000813795683 1136363400 /nfs/dbraw/zinc/36/34/00/1136363400.db2.gz QUFKQLRXHYYSLN-UHFFFAOYSA-N -1 3 339.233 3.612 20 10 EHCDHM C[C@@H](NCc1ncn(-c2ccccc2)n1)c1ccc2ccccc2c1[O-] ZINC000815657657 1136622872 /nfs/dbraw/zinc/62/28/72/1136622872.db2.gz FAYNMOQPWFKOOX-OAHLLOKOSA-N -1 3 344.418 3.977 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cn2cc(Cl)ccc2n1 ZINC000816533992 1136730853 /nfs/dbraw/zinc/73/08/53/1136730853.db2.gz SESADYLTLZAMFE-UHFFFAOYSA-N -1 3 340.185 3.776 20 10 EHCDHM CC(C)OC(=O)C[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816569897 1136738308 /nfs/dbraw/zinc/73/83/08/1136738308.db2.gz AGGHMMZLGHJHON-LBPRGKRZSA-N -1 3 343.826 3.738 20 10 EHCDHM CC(C)C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC000818630504 1136886676 /nfs/dbraw/zinc/88/66/76/1136886676.db2.gz PBFFDUFKTWQTGX-SFHVURJKSA-N -1 3 327.424 3.896 20 10 EHCDHM CCOc1ccc(CN(C(=O)c2cccc(O)c2[O-])C(C)C)cc1 ZINC000863943191 1137208585 /nfs/dbraw/zinc/20/85/85/1137208585.db2.gz RBCFXXHYKMRGGW-UHFFFAOYSA-N -1 3 329.396 3.547 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1[O-] ZINC000844382245 1137218459 /nfs/dbraw/zinc/21/84/59/1137218459.db2.gz CUSIRYAMJVIGDR-UHFFFAOYSA-N -1 3 349.299 3.600 20 10 EHCDHM [O-]c1cc(F)c(Br)cc1CN1CCCC(F)(F)CC1 ZINC001144299471 1137268551 /nfs/dbraw/zinc/26/85/51/1137268551.db2.gz XTMGGKLKNQSRIY-UHFFFAOYSA-N -1 3 338.167 3.915 20 10 EHCDHM COc1cccc([C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2)c1 ZINC001148224659 1137420171 /nfs/dbraw/zinc/42/01/71/1137420171.db2.gz RQHAWYDTHGEDSE-IBGZPJMESA-N -1 3 349.386 3.626 20 10 EHCDHM [O-]c1c(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)ccc(F)c1F ZINC000877125922 1137670802 /nfs/dbraw/zinc/67/08/02/1137670802.db2.gz WDSUDDPTUOOLGT-ZDUSSCGKSA-N -1 3 347.283 3.512 20 10 EHCDHM COC[C@H](NCc1ccc(F)c(F)c1[O-])c1ccc(Cl)cc1 ZINC000877483485 1137677919 /nfs/dbraw/zinc/67/79/19/1137677919.db2.gz NZCUGMJYGAGXHC-AWEZNQCLSA-N -1 3 327.758 3.801 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CNCc1cc(Cl)cc2c1OCC2 ZINC000883087937 1137844298 /nfs/dbraw/zinc/84/42/98/1137844298.db2.gz NGOPZRZAXQWLJG-UHFFFAOYSA-N -1 3 325.742 3.549 20 10 EHCDHM CC[C@H](C)NC(=O)c1cccc(CN[C@H](C)c2c([O-])cccc2F)c1 ZINC000886505358 1138085569 /nfs/dbraw/zinc/08/55/69/1138085569.db2.gz XRCNKYHXNTXLMB-UONOGXRCSA-N -1 3 344.430 3.910 20 10 EHCDHM COCCCOC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093561448 1138238175 /nfs/dbraw/zinc/23/81/75/1138238175.db2.gz PCKWJHSMEXZKHT-UHFFFAOYSA-N -1 3 348.270 3.717 20 10 EHCDHM C[C@@H](NCc1nccn1CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000185661512 1140161380 /nfs/dbraw/zinc/16/13/80/1140161380.db2.gz BETIAMHYCNXIKK-OAHLLOKOSA-N -1 3 339.414 3.821 20 10 EHCDHM C[C@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1ccc(F)cc1[O-] ZINC000186467372 1140205212 /nfs/dbraw/zinc/20/52/12/1140205212.db2.gz YVIZVILESBFTPI-KBPBESRZSA-N -1 3 330.403 3.930 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000187178662 1140242809 /nfs/dbraw/zinc/24/28/09/1140242809.db2.gz BVLXYQZNVUEXBE-KRWDZBQOSA-N -1 3 336.391 3.947 20 10 EHCDHM CCCC[N@H+](Cc1cc(C(=O)[O-])c(C)n1C)Cc1ccccc1[O-] ZINC001595747972 982416539 /nfs/dbraw/zinc/41/65/39/982416539.db2.gz NXSHFCHQTITXCS-UHFFFAOYSA-N -1 3 330.428 3.540 20 10 EHCDHM CCCC[N@@H+](Cc1cc(C(=O)[O-])c(C)n1C)Cc1ccccc1[O-] ZINC001595747972 982416541 /nfs/dbraw/zinc/41/65/41/982416541.db2.gz NXSHFCHQTITXCS-UHFFFAOYSA-N -1 3 330.428 3.540 20 10 EHCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC001595748050 982417567 /nfs/dbraw/zinc/41/75/67/982417567.db2.gz QNUJBTMIPFGRAC-LJQANCHMSA-N -1 3 343.423 3.829 20 10 EHCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC001595748050 982417571 /nfs/dbraw/zinc/41/75/71/982417571.db2.gz QNUJBTMIPFGRAC-LJQANCHMSA-N -1 3 343.423 3.829 20 10 EHCDHM C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274158 994622928 /nfs/dbraw/zinc/62/29/28/994622928.db2.gz IHOGMPRPMPGUIP-NSHDSACASA-N -1 3 342.370 3.604 20 10 EHCDHM C[C@H](NCc1nnc(C2CC2)s1)c1cccc(C(F)(F)F)c1[O-] ZINC000840892390 1027585433 /nfs/dbraw/zinc/58/54/33/1027585433.db2.gz ZEBGYUCDUBAXHQ-QMMMGPOBSA-N -1 3 343.374 3.991 20 10 EHCDHM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCc2c1cnn2C ZINC000093864049 1030684157 /nfs/dbraw/zinc/68/41/57/1030684157.db2.gz ZLNKXJMQPRFEGU-CQSZACIVSA-N -1 3 340.254 3.942 20 10 EHCDHM CCOc1cc(CNCc2cccc(Cl)c2[O-])c(F)cc1OC ZINC000898215820 1033372038 /nfs/dbraw/zinc/37/20/38/1033372038.db2.gz RMKIZXBTPWNOFA-UHFFFAOYSA-N -1 3 339.794 3.882 20 10 EHCDHM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000530040208 1034894412 /nfs/dbraw/zinc/89/44/12/1034894412.db2.gz WHSPTIYFFXQMFT-HNNXBMFYSA-N -1 3 329.371 3.645 20 10 EHCDHM CCc1ncnc(NCc2cc(Cl)c3cccnc3c2[O-])c1F ZINC001168527446 1126820341 /nfs/dbraw/zinc/82/03/41/1126820341.db2.gz IGXUJRPUXCGXSG-UHFFFAOYSA-N -1 3 332.766 3.697 20 10 EHCDHM Cc1ncnc(Cl)c1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168523406 1122702075 /nfs/dbraw/zinc/70/20/75/1122702075.db2.gz OCCXXXNDNNYVHK-UHFFFAOYSA-N -1 3 335.194 3.958 20 10 EHCDHM COc1ccc2c(c1)[C@@H](NCc1cc(Cl)cc(F)c1[O-])CCO2 ZINC000768533895 1133151201 /nfs/dbraw/zinc/15/12/01/1133151201.db2.gz WDVMGXZEVCIYSX-HNNXBMFYSA-N -1 3 337.778 3.807 20 10 EHCDHM CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1c([O-])cccc1F ZINC001178413750 1133167430 /nfs/dbraw/zinc/16/74/30/1133167430.db2.gz YIZBBPXKVOLNMO-OAHLLOKOSA-N -1 3 337.778 3.659 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)c1ccc(Oc2ccccc2)cn1 ZINC001178412830 1133167756 /nfs/dbraw/zinc/16/77/56/1133167756.db2.gz HGJBDPYKPSWCCL-UHFFFAOYSA-N -1 3 338.338 3.649 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(c3ccccn3)CC2)c1[O-] ZINC000769106353 1133227495 /nfs/dbraw/zinc/22/74/95/1133227495.db2.gz RSCGQJLVBFRUPS-UHFFFAOYSA-N -1 3 347.802 3.728 20 10 EHCDHM CCc1ccc([O-])c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000769670429 1133327713 /nfs/dbraw/zinc/32/77/13/1133327713.db2.gz BHCQVAKDIDFSBS-UHFFFAOYSA-N -1 3 338.451 3.825 20 10 EHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H](F)c1ccccc1 ZINC001180151861 1133339729 /nfs/dbraw/zinc/33/97/29/1133339729.db2.gz YCNAKRDQKUBLKJ-OAHLLOKOSA-N -1 3 344.773 3.921 20 10 EHCDHM CC(C)c1ccc(CN2CCN(Cc3cccc(F)c3[O-])CC2)cc1 ZINC001181944469 1133554138 /nfs/dbraw/zinc/55/41/38/1133554138.db2.gz DXWMQNIJBIPCBM-UHFFFAOYSA-N -1 3 342.458 3.973 20 10 EHCDHM Cc1cc(CN2CC[C@@H](C)C(F)(F)C2)c([O-])cc1Br ZINC001250120259 1133835731 /nfs/dbraw/zinc/83/57/31/1133835731.db2.gz AASZNGXGTUVTJR-SNVBAGLBSA-N -1 3 334.204 3.940 20 10 EHCDHM COc1c([O-])c(CN2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000774880044 1134096947 /nfs/dbraw/zinc/09/69/47/1134096947.db2.gz DXURGCUAYKRZJP-UHFFFAOYSA-N -1 3 348.786 3.521 20 10 EHCDHM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790649206 1134451881 /nfs/dbraw/zinc/45/18/81/1134451881.db2.gz SOMQFRZWTLSCRM-UHFFFAOYSA-N -1 3 344.367 3.697 20 10 EHCDHM CC[C@H](C)n1ncc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1C ZINC000790742697 1134460778 /nfs/dbraw/zinc/46/07/78/1134460778.db2.gz OKWMZUFJGGPQEI-NWDGAFQWSA-N -1 3 331.416 3.828 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC(=Cc2ccccc2F)CC1 ZINC000790876774 1134474385 /nfs/dbraw/zinc/47/43/85/1134474385.db2.gz KFYWZGMUOHXSEF-UHFFFAOYSA-N -1 3 327.355 3.557 20 10 EHCDHM COc1ccc(Cn2cc(N[C@H](C)c3ccc(F)cc3[O-])cn2)cc1 ZINC000793563699 1134958337 /nfs/dbraw/zinc/95/83/37/1134958337.db2.gz HGMIRFYBZLBQRC-CYBMUJFWSA-N -1 3 341.386 3.958 20 10 EHCDHM COc1ccc(C(C)=O)c(NC(=O)c2ccc([O-])c(O)c2Cl)c1C ZINC001193230652 1135120876 /nfs/dbraw/zinc/12/08/76/1135120876.db2.gz ZUUDRQJKVOYKOX-UHFFFAOYSA-N -1 3 349.770 3.523 20 10 EHCDHM O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc(O)c1[O-] ZINC000776351482 1136162057 /nfs/dbraw/zinc/16/20/57/1136162057.db2.gz XVVPSEUFNRZNKK-UHFFFAOYSA-N -1 3 326.396 3.731 20 10 EHCDHM [O-]c1c(Br)cccc1CNCc1c(F)cc(F)cc1F ZINC000815151923 1136557273 /nfs/dbraw/zinc/55/72/73/1136557273.db2.gz LKJASEIOMAOUTQ-UHFFFAOYSA-N -1 3 346.146 3.862 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000816496001 1136725206 /nfs/dbraw/zinc/72/52/06/1136725206.db2.gz RWIQXDQLZNZSQI-AWEZNQCLSA-N -1 3 339.794 3.959 20 10 EHCDHM [O-]c1cccc(Cl)c1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC000816668759 1136749562 /nfs/dbraw/zinc/74/95/62/1136749562.db2.gz WSDRVIXTWTYLFD-UHFFFAOYSA-N -1 3 325.799 3.747 20 10 EHCDHM C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817882044 1136843354 /nfs/dbraw/zinc/84/33/54/1136843354.db2.gz WKKAKBSGOXAXDF-KBXCAEBGSA-N -1 3 325.408 3.602 20 10 EHCDHM C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817882044 1136843357 /nfs/dbraw/zinc/84/33/57/1136843357.db2.gz WKKAKBSGOXAXDF-KBXCAEBGSA-N -1 3 325.408 3.602 20 10 EHCDHM Cc1csc(C(C)(C)NCc2cccc(Br)c2[O-])n1 ZINC000116382823 1136994508 /nfs/dbraw/zinc/99/45/08/1136994508.db2.gz KBYUYXJWRPACJL-UHFFFAOYSA-N -1 3 341.274 3.945 20 10 EHCDHM [O-]c1cc(Br)ccc1CN1CCO[C@H](c2ccccc2)C1 ZINC000824548002 1137144122 /nfs/dbraw/zinc/14/41/22/1137144122.db2.gz HHXWJOVEANYNHX-KRWDZBQOSA-N -1 3 348.240 3.728 20 10 EHCDHM CC(C)OCCOC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000825208152 1137168945 /nfs/dbraw/zinc/16/89/45/1137168945.db2.gz RXOZRKCSHHROBS-UHFFFAOYSA-N -1 3 345.842 3.591 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2nnc([C@H]3C[C@@H]3C)o2)c1 ZINC000865294967 1137275163 /nfs/dbraw/zinc/27/51/63/1137275163.db2.gz VXOZVALRANMOFY-WPRPVWTQSA-N -1 3 338.205 3.582 20 10 EHCDHM C[C@@H](NCc1cccnc1F)c1cc(Br)c(F)cc1[O-] ZINC000794838384 1137284735 /nfs/dbraw/zinc/28/47/35/1137284735.db2.gz YNJRHYWUPFMGMW-MRVPVSSYSA-N -1 3 343.171 3.679 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000877673766 1137685383 /nfs/dbraw/zinc/68/53/83/1137685383.db2.gz RECFUFAJWAVDNX-YOEHRIQHSA-N -1 3 335.806 3.883 20 10 EHCDHM Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(Br)cc1[O-])N2 ZINC000877855961 1137693536 /nfs/dbraw/zinc/69/35/36/1137693536.db2.gz WWPCVFIEIZNREI-HNNXBMFYSA-N -1 3 347.212 3.659 20 10 EHCDHM C[C@H](Nc1cccc(CN2CCCC2=O)c1)c1c([O-])cccc1F ZINC000886566073 1138097948 /nfs/dbraw/zinc/09/79/48/1138097948.db2.gz HQABLTVUVVQHGB-ZDUSSCGKSA-N -1 3 328.387 3.827 20 10 EHCDHM C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1c([O-])cccc1F ZINC000886585685 1138099350 /nfs/dbraw/zinc/09/93/50/1138099350.db2.gz DFDLYZSZUMMGFJ-KBPBESRZSA-N -1 3 330.403 3.930 20 10 EHCDHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cccc(Cl)c1[O-] ZINC000180678322 1139855457 /nfs/dbraw/zinc/85/54/57/1139855457.db2.gz QIHDNHWLPGHADR-VERVWZFWSA-N -1 3 337.872 3.976 20 10 EHCDHM O=C1CCCN1Cc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000271414242 1141360967 /nfs/dbraw/zinc/36/09/67/1141360967.db2.gz YDQUAUIGOCRBPH-UHFFFAOYSA-N -1 3 330.815 3.780 20 10 EHCDHM CCCOc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001595960746 983154635 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CC(C)Oc1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168527398 1126815354 /nfs/dbraw/zinc/81/53/54/1126815354.db2.gz GHPWCDYIMGFVDZ-UHFFFAOYSA-N -1 3 344.802 3.783 20 10 EHCDHM [O-]c1c(CNc2ncnc3scnc32)cc(Cl)c2cccnc12 ZINC001168528556 1126921077 /nfs/dbraw/zinc/92/10/77/1126921077.db2.gz VDLJTLHZWKHICP-UHFFFAOYSA-N -1 3 343.799 3.606 20 10 EHCDHM C[C@@H](c1ccsc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000765718891 1127737963 /nfs/dbraw/zinc/73/79/63/1127737963.db2.gz LQPAWCRLPMJVIB-ZDUSSCGKSA-N -1 3 336.888 3.986 20 10 EHCDHM Cc1[nH]nc2ncc(NCc3cc(C)cc(Br)c3[O-])cc12 ZINC000765944928 1128809920 /nfs/dbraw/zinc/80/99/20/1128809920.db2.gz XABHGELLIXOXMC-UHFFFAOYSA-N -1 3 347.216 3.655 20 10 EHCDHM COc1cc(Cl)c(NC(=O)NCc2c([O-])cccc2F)cc1C ZINC001670726502 1120109970 /nfs/dbraw/zinc/10/99/70/1120109970.db2.gz NHVFSORXXYZBRF-UHFFFAOYSA-N -1 3 338.766 3.823 20 10 EHCDHM CC[C@@H](CSc1ccccc1)NC(=O)NCc1c([O-])cccc1F ZINC001670821914 1120313994 /nfs/dbraw/zinc/31/39/94/1120313994.db2.gz 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1133167073 /nfs/dbraw/zinc/16/70/73/1133167073.db2.gz XKJHYFCDGKESJU-UHFFFAOYSA-N -1 3 347.386 3.649 20 10 EHCDHM Cc1cccc(C(=O)NCc2c([O-])cccc2F)c1Br ZINC001178413735 1133167223 /nfs/dbraw/zinc/16/72/23/1133167223.db2.gz YFVPKTDTAGPYSB-UHFFFAOYSA-N -1 3 338.176 3.532 20 10 EHCDHM O=C(Cc1coc2cc3c(cc12)CCC3)NCc1c([O-])cccc1F ZINC001178410912 1133167744 /nfs/dbraw/zinc/16/77/44/1133167744.db2.gz YOSSRGKJQFWRDF-UHFFFAOYSA-N -1 3 339.366 3.625 20 10 EHCDHM CC(C)(C)OC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000769502882 1133303336 /nfs/dbraw/zinc/30/33/36/1133303336.db2.gz DPLJGNPYAMIIRX-JTQLQIEISA-N -1 3 346.254 3.863 20 10 EHCDHM Cc1cc([O-])c(CN2CCO[C@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001180349993 1133359870 /nfs/dbraw/zinc/35/98/70/1133359870.db2.gz RZVGTQBQZGLVIQ-MRXNPFEDSA-N -1 3 331.843 3.798 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2cnn(C)c2C2CC2)c1 ZINC000769925748 1133367786 /nfs/dbraw/zinc/36/77/86/1133367786.db2.gz ZQEQIBIRZLAHMA-UHFFFAOYSA-N -1 3 336.233 3.686 20 10 EHCDHM COc1c([O-])c(CN(C)[C@H](C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000774837739 1134046836 /nfs/dbraw/zinc/04/68/36/1134046836.db2.gz RDKJGFZKAHXMAF-LLVKDONJSA-N -1 3 334.347 3.641 20 10 EHCDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(N(C)C)c(F)c2)CC)n1 ZINC000789829232 1134337861 /nfs/dbraw/zinc/33/78/61/1134337861.db2.gz ISKRVJXDGJLRTG-UVTDQMKNSA-N -1 3 329.419 3.878 20 10 EHCDHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)cc1 ZINC000790411263 1134412671 /nfs/dbraw/zinc/41/26/71/1134412671.db2.gz IDCQYGSCTQCEFK-UHFFFAOYSA-N -1 3 335.425 3.544 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000790902610 1134480553 /nfs/dbraw/zinc/48/05/53/1134480553.db2.gz YHRFNRLQSZYPMS-QGZVFWFLSA-N -1 3 339.435 3.973 20 10 EHCDHM Cn1cc([C@@H](NCc2c([O-])ccc(Cl)c2F)C(C)(C)C)cn1 ZINC000790975008 1134493716 /nfs/dbraw/zinc/49/37/16/1134493716.db2.gz YIPSUHMWDFOXOG-OAHLLOKOSA-N -1 3 325.815 3.795 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CCCN(c2ccccc2)CC1 ZINC000792167558 1134661046 /nfs/dbraw/zinc/66/10/46/1134661046.db2.gz 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1136432328 /nfs/dbraw/zinc/43/23/28/1136432328.db2.gz ANQICZLEVRPEMI-UHFFFAOYSA-N -1 3 349.221 3.570 20 10 EHCDHM C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817882045 1136843546 /nfs/dbraw/zinc/84/35/46/1136843546.db2.gz WKKAKBSGOXAXDF-KDOFPFPSSA-N -1 3 325.408 3.602 20 10 EHCDHM C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817882045 1136843548 /nfs/dbraw/zinc/84/35/48/1136843548.db2.gz WKKAKBSGOXAXDF-KDOFPFPSSA-N -1 3 325.408 3.602 20 10 EHCDHM Cc1cc([O-])c(CNCc2ncc(Br)s2)c(Cl)c1 ZINC000865850517 1137316640 /nfs/dbraw/zinc/31/66/40/1137316640.db2.gz ZGRAVOBIMXGDQM-UHFFFAOYSA-N -1 3 347.665 3.863 20 10 EHCDHM [O-]c1c(CN2CCC(OC3CCCCC3)CC2)ccc(F)c1F ZINC000876658391 1137658273 /nfs/dbraw/zinc/65/82/73/1137658273.db2.gz VGUYQLHLMRQPDJ-UHFFFAOYSA-N -1 3 325.399 3.984 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC3(CCCCO3)CC2)c1[O-] ZINC000880454807 1137778842 /nfs/dbraw/zinc/77/88/42/1137778842.db2.gz JSSQQCGUHMKYNX-UHFFFAOYSA-N -1 3 337.847 3.783 20 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/nfs/dbraw/zinc/31/56/52/980315652.db2.gz KXJXPPOXTKPVBR-PXAZEXFGSA-N -1 3 329.396 3.901 20 10 EHCDHM CCC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@@H](O)c1ccccc1 ZINC001595600872 981584417 /nfs/dbraw/zinc/58/44/17/981584417.db2.gz PBBVQSNQBHMEHP-FMEYXAORSA-N -1 3 343.423 3.643 20 10 EHCDHM CCO[C@H](CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])C1CCCC1 ZINC001596784374 985245917 /nfs/dbraw/zinc/24/59/17/985245917.db2.gz IRDKWLBAIKHEJM-SCLBCKFNSA-N -1 3 335.444 3.726 20 10 EHCDHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])c(C)n1-c1ccccn1 ZINC000178328079 1018022688 /nfs/dbraw/zinc/02/26/88/1018022688.db2.gz ZPQMFMQHZGLXNX-UHFFFAOYSA-N -1 3 325.343 3.586 20 10 EHCDHM COc1ccncc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000294386867 1023027092 /nfs/dbraw/zinc/02/70/92/1023027092.db2.gz RSVFCTCDGNMQKR-VIFPVBQESA-N -1 3 327.211 3.953 20 10 EHCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@H](CF)C1 ZINC000711500864 1028709012 /nfs/dbraw/zinc/70/90/12/1028709012.db2.gz YMIOZTPEYCEHRH-SECBINFHSA-N -1 3 336.632 3.990 20 10 EHCDHM CCOCc1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)ccc1OC ZINC000841793292 1029045731 /nfs/dbraw/zinc/04/57/31/1029045731.db2.gz CLQARVDMBDGLKI-INIZCTEOSA-N -1 3 349.452 3.599 20 10 EHCDHM CCOc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1C ZINC000278571953 1031443223 /nfs/dbraw/zinc/44/32/23/1031443223.db2.gz CZBIZRWIWOZZFE-UHFFFAOYSA-N -1 3 332.356 3.628 20 10 EHCDHM CC(C)c1nn(C)c(Cl)c1CNCc1cccc(Cl)c1[O-] ZINC000898219753 1033375928 /nfs/dbraw/zinc/37/59/28/1033375928.db2.gz LCCZDLBLTYXMIP-UHFFFAOYSA-N -1 3 328.243 3.846 20 10 EHCDHM C[C@]1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC=CCC1 ZINC001142551593 1033929303 /nfs/dbraw/zinc/92/93/03/1033929303.db2.gz FCHRDGRMMPILLV-SFHVURJKSA-N -1 3 330.815 3.956 20 10 EHCDHM CCOC[C@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000530106775 1034970223 /nfs/dbraw/zinc/97/02/23/1034970223.db2.gz NYVKCFNHBRUZFN-OAHLLOKOSA-N -1 3 341.407 3.529 20 10 EHCDHM Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc(O)c1[O-] ZINC000188258792 1039896131 /nfs/dbraw/zinc/89/61/31/1039896131.db2.gz 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COC(=O)c1ccc([O-])c([C@H](C)Nc2cnn(C3CCCC3)c2C)c1 ZINC000774443679 1133679280 /nfs/dbraw/zinc/67/92/80/1133679280.db2.gz MQWVDYAESVMXOK-LBPRGKRZSA-N -1 3 343.427 3.972 20 10 EHCDHM CC(C)[C@H](NCc1cc(Br)ccc1[O-])C(F)(F)F ZINC000786835774 1133906970 /nfs/dbraw/zinc/90/69/70/1133906970.db2.gz HNOFZIHIRMJMDC-NSHDSACASA-N -1 3 326.156 3.831 20 10 EHCDHM Cc1c(N[C@@H](C)c2ccc(F)cc2[O-])cccc1N1CCNC1=O ZINC000786984668 1133936634 /nfs/dbraw/zinc/93/66/34/1133936634.db2.gz GRKFDENKRPGIQE-LBPRGKRZSA-N -1 3 329.375 3.542 20 10 EHCDHM CNC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1Cl ZINC000789889670 1134341125 /nfs/dbraw/zinc/34/11/25/1134341125.db2.gz LYJGQUWTRBYKOG-UHFFFAOYSA-N -1 3 325.195 3.671 20 10 EHCDHM Cn1c(CNCc2c([O-])cccc2Cl)nc2cccc(Cl)c21 ZINC000775321170 1134631085 /nfs/dbraw/zinc/63/10/85/1134631085.db2.gz QJHBDRMLAJDPHC-UHFFFAOYSA-N -1 3 336.222 3.876 20 10 EHCDHM COc1ccc(CN(C)Cc2c([O-])ccc(Cl)c2F)cc1F ZINC000792156324 1134659216 /nfs/dbraw/zinc/65/92/16/1134659216.db2.gz 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[O-]c1c(CN[C@@H](CO)c2cccc(C(F)(F)F)c2)ccc(F)c1F ZINC000877664522 1137684861 /nfs/dbraw/zinc/68/48/61/1137684861.db2.gz SMDJKLRKKDALCP-ZDUSSCGKSA-N -1 3 347.283 3.512 20 10 EHCDHM COc1cc2c(cc1CN[C@@H](C)c1c([O-])cccc1F)O[C@H](C)C2 ZINC000886500317 1138084585 /nfs/dbraw/zinc/08/45/85/1138084585.db2.gz PEAZLYJQPUURRW-NEPJUHHUSA-N -1 3 331.387 3.714 20 10 EHCDHM CC[C@H](N[C@H](C)c1c([O-])cccc1F)c1nnc2n1CCCCC2 ZINC000886520450 1138088943 /nfs/dbraw/zinc/08/89/43/1138088943.db2.gz FEKGQPSQRXGYLR-OCCSQVGLSA-N -1 3 332.423 3.651 20 10 EHCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1NC(=O)C(C)(C)C ZINC000193063571 1140561884 /nfs/dbraw/zinc/56/18/84/1140561884.db2.gz POSDACOKJVVQCP-UHFFFAOYSA-N -1 3 342.395 3.643 20 10 EHCDHM O=C([O-])[C@@H]1CC12CC[NH+](Cc1cc(-c3ccccc3)ccc1[O-])CC2 ZINC000833771589 604650175 /nfs/dbraw/zinc/65/01/75/604650175.db2.gz JWYAGPQYNYIASY-SFHVURJKSA-N -1 3 337.419 3.746 20 10 EHCDHM CC(C)(C)c1cnc(SCc2ccc(-c3nnn[n-]3)s2)s1 ZINC001573883993 950779474 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ZINC000774853650 1134067755 /nfs/dbraw/zinc/06/77/55/1134067755.db2.gz PSWLKVACIDGUCA-SFHVURJKSA-N -1 3 342.395 3.892 20 10 EHCDHM COc1c([O-])c(CN(C)Cc2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000774910132 1134117697 /nfs/dbraw/zinc/11/76/97/1134117697.db2.gz UCGBOTQRKPGKDL-UHFFFAOYSA-N -1 3 342.351 3.687 20 10 EHCDHM COc1ccc(Cl)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774937432 1134141514 /nfs/dbraw/zinc/14/15/14/1134141514.db2.gz ZIOUFCQLBLNHLI-UHFFFAOYSA-N -1 3 338.747 3.583 20 10 EHCDHM CN(Cc1ccccc1NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790166072 1134377060 /nfs/dbraw/zinc/37/70/60/1134377060.db2.gz NZUDSXPJHKSVFP-UHFFFAOYSA-N -1 3 348.402 3.987 20 10 EHCDHM Cc1cccc(O)c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001188660012 1134488039 /nfs/dbraw/zinc/48/80/39/1134488039.db2.gz RVZMSUYRANTXTO-UHFFFAOYSA-N -1 3 342.782 3.538 20 10 EHCDHM CC(C)(C)c1ccc(C(=O)N2CCc3cccc(O)c3C2)c([O-])c1 ZINC001192322775 1134998922 /nfs/dbraw/zinc/99/89/22/1134998922.db2.gz NIYGEZJBCOOEOT-UHFFFAOYSA-N -1 3 325.408 3.594 20 10 EHCDHM CN1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H](c2ccccc2)C1 ZINC000775633811 1135363801 /nfs/dbraw/zinc/36/38/01/1135363801.db2.gz LECZHAGEHRQWAM-KRWDZBQOSA-N -1 3 334.822 3.673 20 10 EHCDHM CC[C@@H](NCc1nncn1-c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806132472 1135387968 /nfs/dbraw/zinc/38/79/68/1135387968.db2.gz WUIOBETYDCAXBQ-MRXNPFEDSA-N -1 3 342.830 3.867 20 10 EHCDHM COc1cc(CN(C)Cc2cc(Cl)cc(F)c2[O-])cc(OC)c1 ZINC000775653653 1135419761 /nfs/dbraw/zinc/41/97/61/1135419761.db2.gz LRJKCUOYRVITBP-UHFFFAOYSA-N -1 3 339.794 3.834 20 10 EHCDHM C[C@H]1Oc2ccccc2[C@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000808443209 1135667430 /nfs/dbraw/zinc/66/74/30/1135667430.db2.gz BUSFHVWUEZPZFM-PSLIRLAXSA-N -1 3 334.759 3.566 20 10 EHCDHM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000776347833 1136160913 /nfs/dbraw/zinc/16/09/13/1136160913.db2.gz HCRKQWLSXPQCOJ-IUODEOHRSA-N -1 3 329.396 3.867 20 10 EHCDHM C[C@]12CCN(Cc3cccc(Br)c3[O-])C[C@H]1C2(F)F ZINC000814169275 1136414766 /nfs/dbraw/zinc/41/47/66/1136414766.db2.gz FXRAGLWXDKLTAF-YPMHNXCESA-N -1 3 332.188 3.632 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)ccc1O ZINC000776748052 1136624870 /nfs/dbraw/zinc/62/48/70/1136624870.db2.gz UKSQAPIHUFRKMD-UHFFFAOYSA-N -1 3 347.436 3.823 20 10 EHCDHM COc1ccc(CN(C)Cc2cc(Cl)c(F)cc2[O-])c(OC)c1 ZINC000816482200 1136723800 /nfs/dbraw/zinc/72/38/00/1136723800.db2.gz XYFOAPHWIYCBSK-UHFFFAOYSA-N -1 3 339.794 3.834 20 10 EHCDHM Cc1cc([C@H]2CCCN2Cc2ccc(Br)cc2[O-])on1 ZINC000824597233 1137144530 /nfs/dbraw/zinc/14/45/30/1137144530.db2.gz OICLNOAGLRNQQL-CYBMUJFWSA-N -1 3 337.217 3.788 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2cccc(CCO)c2)c1 ZINC000825284244 1137171543 /nfs/dbraw/zinc/17/15/43/1137171543.db2.gz IIVJBWIMQAUBTP-UHFFFAOYSA-N -1 3 336.229 3.610 20 10 EHCDHM CN(C)Cc1ccc(NCc2ccc(F)c(F)c2[O-])cc1Cl ZINC000864011595 1137211490 /nfs/dbraw/zinc/21/14/90/1137211490.db2.gz KYSIYQRDNJOYQN-UHFFFAOYSA-N -1 3 326.774 3.998 20 10 EHCDHM C[C@@H](O)[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1F ZINC000846015539 1137325922 /nfs/dbraw/zinc/32/59/22/1137325922.db2.gz YGSHKNKPWCVSOX-ABKXIKBNSA-N -1 3 327.758 3.536 20 10 EHCDHM C[C@H](O)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1F ZINC000846182900 1137340318 /nfs/dbraw/zinc/34/03/18/1137340318.db2.gz LGEBBSCVXAKHAU-XQJJYNOISA-N -1 3 325.330 3.582 20 10 EHCDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000873186625 1137593325 /nfs/dbraw/zinc/59/33/25/1137593325.db2.gz SNKJQJFTSCKCSC-VIFPVBQESA-N -1 3 341.289 3.565 20 10 EHCDHM [O-]c1c(CNCc2c(F)cccc2N2CCCC2)ccc(F)c1F ZINC000877512997 1137679145 /nfs/dbraw/zinc/67/91/45/1137679145.db2.gz ILBFJPTWCCCYSN-UHFFFAOYSA-N -1 3 336.357 3.700 20 10 EHCDHM CCN1C(=O)c2ccccc2N[C@@H]1c1c([O-])cccc1Br ZINC000877847336 1137693211 /nfs/dbraw/zinc/69/32/11/1137693211.db2.gz WHDQPFFHYHDPSX-HNNXBMFYSA-N -1 3 347.212 3.741 20 10 EHCDHM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(Cl)c(C)cc1[O-] ZINC000877852049 1137693394 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EHCDHM C[C@H](N[C@@H](c1ccccc1)c1ccncc1)c1cc(C(=O)[O-])ccc1O ZINC001593208599 994228701 /nfs/dbraw/zinc/22/87/01/994228701.db2.gz DITINQNQKSIAGK-XOBRGWDASA-N -1 3 348.402 3.926 20 10 EHCDHM COc1cc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])ccc1Cl ZINC001599403824 997260910 /nfs/dbraw/zinc/26/09/10/997260910.db2.gz BJDQAZXOEVDIKU-LLVKDONJSA-N -1 3 349.814 3.646 20 10 EHCDHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cccc(O)c1[O-] ZINC000377053667 1017291501 /nfs/dbraw/zinc/29/15/01/1017291501.db2.gz UOGQXMUKWJBKOG-UHFFFAOYSA-N -1 3 348.402 3.822 20 10 EHCDHM CO[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])CC1(C)C ZINC000894905147 1022126833 /nfs/dbraw/zinc/12/68/33/1022126833.db2.gz SMRXTHNUDLRYTC-ZDUSSCGKSA-N -1 3 346.240 3.541 20 10 EHCDHM C[C@@H](NCc1ncnn1C(C)(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000281917023 1024458383 /nfs/dbraw/zinc/45/83/83/1024458383.db2.gz AHKSBKXLXQPDRM-SECBINFHSA-N -1 3 343.258 3.896 20 10 EHCDHM Cc1ccc(C)n1-c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000892279457 1026943930 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C[C@@](O)(C1CCN(Cc2cccc(Cl)c2[O-])CC1)C(F)(F)F ZINC000768533258 1133151026 /nfs/dbraw/zinc/15/10/26/1133151026.db2.gz PYGLTNGSGBAIFO-CQSZACIVSA-N -1 3 337.769 3.571 20 10 EHCDHM [O-]c1c(F)cccc1CNCc1ccc(Br)c(F)c1F ZINC001183197514 1133778626 /nfs/dbraw/zinc/77/86/26/1133778626.db2.gz WXWBUGQTNMXGAJ-UHFFFAOYSA-N -1 3 346.146 3.862 20 10 EHCDHM CN(Cc1c(Cl)cccc1Cl)C(=O)c1cccc(O)c1[O-] ZINC000790523326 1134430395 /nfs/dbraw/zinc/43/03/95/1134430395.db2.gz RBKOWEOZFMIMMN-UHFFFAOYSA-N -1 3 326.179 3.677 20 10 EHCDHM COc1cc(CN(C)Cc2cc(Cl)cc(F)c2[O-])ccc1O ZINC000775647895 1135398040 /nfs/dbraw/zinc/39/80/40/1135398040.db2.gz GUHTYWWURQWJNO-UHFFFAOYSA-N -1 3 325.767 3.531 20 10 EHCDHM CCN(Cc1cccc(Cl)c1[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000775695324 1135531502 /nfs/dbraw/zinc/53/15/02/1135531502.db2.gz LCMINWFHAYELKJ-QGZVFWFLSA-N -1 3 344.842 3.673 20 10 EHCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000776353657 1136163276 /nfs/dbraw/zinc/16/32/76/1136163276.db2.gz AGTAJMSXVQNQJU-LLVKDONJSA-N -1 3 345.370 3.517 20 10 EHCDHM Cn1c2ccc(NC(=O)c3cccc(O)c3[O-])cc2nc1C(C)(C)C ZINC000776357706 1136164433 /nfs/dbraw/zinc/16/44/33/1136164433.db2.gz SLBAOGCGSOGARJ-UHFFFAOYSA-N -1 3 339.395 3.534 20 10 EHCDHM O=C(Nc1ccc(Cl)cc1OCC(F)F)c1cccc(O)c1[O-] ZINC000813789549 1136362370 /nfs/dbraw/zinc/36/23/70/1136362370.db2.gz SZPOZXJQLQUKAX-UHFFFAOYSA-N -1 3 343.713 3.647 20 10 EHCDHM CC1(CC(F)(F)F)CN(Cc2c([O-])cccc2Br)C1 ZINC000862390979 1137142164 /nfs/dbraw/zinc/14/21/64/1137142164.db2.gz DGBJDZJXSLUKHB-UHFFFAOYSA-N -1 3 338.167 3.929 20 10 EHCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@]2(CC2(F)F)C1 ZINC001144306999 1137270784 /nfs/dbraw/zinc/27/07/84/1137270784.db2.gz ZVQPOARTIJINFC-LBPRGKRZSA-N -1 3 336.151 3.525 20 10 EHCDHM [O-]c1cc(F)c(Br)cc1CN1CC(c2ccccc2)C1 ZINC001144306990 1137270801 /nfs/dbraw/zinc/27/08/01/1137270801.db2.gz ZNGGPYSXEYFODF-UHFFFAOYSA-N -1 3 336.204 3.893 20 10 EHCDHM CC(C)n1cccc(NCc2cc(Br)ccc2[O-])c1=O ZINC001171175954 1137288263 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Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1O ZINC000136486406 1138034925 /nfs/dbraw/zinc/03/49/25/1138034925.db2.gz BIOIOSQLGXPCAO-UHFFFAOYSA-N -1 3 331.315 3.520 20 10 EHCDHM CCN(Cc1cscn1)Cc1cc(Br)ccc1[O-] ZINC000174424614 1139419355 /nfs/dbraw/zinc/41/93/55/1139419355.db2.gz DMCVOHYRWUEMSS-UHFFFAOYSA-N -1 3 327.247 3.633 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000186830414 1140224434 /nfs/dbraw/zinc/22/44/34/1140224434.db2.gz JSBSWDIRHLRZCU-UHFFFAOYSA-N -1 3 336.391 3.599 20 10 EHCDHM COc1ccc(O)c([C@@H](C)NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000833733348 605845428 /nfs/dbraw/zinc/84/54/28/605845428.db2.gz DZPAGWWFJOLDMN-SNVBAGLBSA-N -1 3 335.787 3.603 20 10 EHCDHM CCN(CC)c1ccc(CNCc2cccc(C(=O)[O-])c2)cc1F ZINC000756299972 955263939 /nfs/dbraw/zinc/26/39/39/955263939.db2.gz IESNAGOOCDRIHA-UHFFFAOYSA-N -1 3 330.403 3.660 20 10 EHCDHM C[C@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219033 994295440 /nfs/dbraw/zinc/29/54/40/994295440.db2.gz LRVNWYBLVLYRBW-APPDUMDISA-N -1 3 329.371 3.958 20 10 EHCDHM C[C@@H](NCc1cc(F)c(Cl)cc1F)c1cc(C(=O)[O-])ccc1O ZINC001593292468 994676855 /nfs/dbraw/zinc/67/68/55/994676855.db2.gz MFKLHYKZMKJQFT-MRVPVSSYSA-N -1 3 341.741 3.873 20 10 EHCDHM CC(C)OC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000695089146 1016937834 /nfs/dbraw/zinc/93/78/34/1016937834.db2.gz FOFCKKGPBOWBKD-UHFFFAOYSA-N -1 3 328.250 3.544 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000895462539 1024531831 /nfs/dbraw/zinc/53/18/31/1024531831.db2.gz YGPARJFBEOHXGZ-UHFFFAOYSA-N -1 3 349.381 3.701 20 10 EHCDHM [O-]c1c(CN2CCn3c(cnc3C(F)(F)F)C2)ccc2ccccc12 ZINC000896931278 1026082788 /nfs/dbraw/zinc/08/27/88/1026082788.db2.gz GPBPEQFPMXYLCW-UHFFFAOYSA-N -1 3 347.340 3.777 20 10 EHCDHM C[C@@]1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC=CCC1 ZINC001142551590 1033928336 /nfs/dbraw/zinc/92/83/36/1033928336.db2.gz FCHRDGRMMPILLV-GOSISDBHSA-N -1 3 330.815 3.956 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(=O)Nc3ccccc32)c1[O-] ZINC000177186948 1034793500 /nfs/dbraw/zinc/79/35/00/1034793500.db2.gz RRVMCEACZKBXRQ-UHFFFAOYSA-N -1 3 344.798 3.597 20 10 EHCDHM C[C@@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000186652732 1035678841 /nfs/dbraw/zinc/67/88/41/1035678841.db2.gz DQUVSJOJWCLNBF-CWTRNNRKSA-N -1 3 343.377 3.844 20 10 EHCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cc([O-])ccc1Cl ZINC000509750048 1039274675 /nfs/dbraw/zinc/27/46/75/1039274675.db2.gz JMAPIPGVMXYERL-UHFFFAOYSA-N -1 3 328.799 3.776 20 10 EHCDHM CCc1c(NC(=O)NCc2c([O-])cccc2F)cnn1C(CC)CC ZINC000931074156 1040611194 /nfs/dbraw/zinc/61/11/94/1040611194.db2.gz NRDKZHOMYRNFLW-UHFFFAOYSA-N -1 3 348.422 3.973 20 10 EHCDHM Cc1ncc(Cl)c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168527840 1126830272 /nfs/dbraw/zinc/83/02/72/1126830272.db2.gz NABPGHIDSJFUGU-UHFFFAOYSA-N -1 3 335.194 3.958 20 10 EHCDHM C[C@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(F)cc1[O-] ZINC000186402774 1128424015 /nfs/dbraw/zinc/42/40/15/1128424015.db2.gz HDVPDPRTQVJVRJ-NSHDSACASA-N -1 3 339.374 3.693 20 10 EHCDHM Cc1ccc(C(=O)Nc2cccc(Oc3ccccn3)c2)c([O-])c1O ZINC000179527695 1123790666 /nfs/dbraw/zinc/79/06/66/1123790666.db2.gz SLBDWZUTQCXODZ-UHFFFAOYSA-N -1 3 336.347 3.846 20 10 EHCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1cc(Cl)ccc1Cl ZINC000070333365 1125288849 /nfs/dbraw/zinc/28/88/49/1125288849.db2.gz KMJIGCWYTFHAIS-UHFFFAOYSA-N -1 3 336.171 3.639 20 10 EHCDHM COc1ccccc1[C@H](C)N(Cc1cc(F)cc(C(C)=O)c1[O-])OC ZINC001176311210 1132911389 /nfs/dbraw/zinc/91/13/89/1132911389.db2.gz MUDBMTODOYJEGC-LBPRGKRZSA-N -1 3 347.386 3.867 20 10 EHCDHM O=C(/C=C/c1ccccc1C(F)(F)F)NCc1c([O-])cccc1F ZINC001178413161 1133167709 /nfs/dbraw/zinc/16/77/09/1133167709.db2.gz NVIZCRIVDBPVTK-CMDGGOBGSA-N -1 3 339.288 3.880 20 10 EHCDHM CN(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(Cl)cc1[O-] ZINC001180271989 1133353786 /nfs/dbraw/zinc/35/37/86/1133353786.db2.gz VYLIXQSIXPMEKH-UHFFFAOYSA-N -1 3 339.222 3.770 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@]2(C1)OCc1ccccc12 ZINC000770664299 1133455720 /nfs/dbraw/zinc/45/57/20/1133455720.db2.gz FVFGOXOBBIQEET-GOSISDBHSA-N -1 3 333.790 3.816 20 10 EHCDHM COc1c([O-])c(CN(C)Cc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000774823189 1134033474 /nfs/dbraw/zinc/03/34/74/1134033474.db2.gz PWKCDXJZDNGFQT-UHFFFAOYSA-N -1 3 336.775 3.594 20 10 EHCDHM COc1c([O-])c(CNc2cccc(OCC(C)C)c2)ccc1[N+](=O)[O-] ZINC000774916418 1134123619 /nfs/dbraw/zinc/12/36/19/1134123619.db2.gz SARSCJQJBHZSER-UHFFFAOYSA-N -1 3 346.383 3.956 20 10 EHCDHM CC[C@H](C)n1ncc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1C ZINC000790742700 1134460810 /nfs/dbraw/zinc/46/08/10/1134460810.db2.gz OKWMZUFJGGPQEI-RYUDHWBXSA-N -1 3 331.416 3.828 20 10 EHCDHM CN(Cc1c([O-])ccc(Cl)c1F)C[C@@H]1OCCc2ccccc21 ZINC000792167380 1134661463 /nfs/dbraw/zinc/66/14/63/1134661463.db2.gz RGRXSVCDFCHTHV-KRWDZBQOSA-N -1 3 335.806 3.931 20 10 EHCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc2cc(Cl)ccc2c1 ZINC001196411877 1135560256 /nfs/dbraw/zinc/56/02/56/1135560256.db2.gz JHTCBGPOYOQIAQ-UHFFFAOYSA-N -1 3 333.796 4.000 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2Cc3ccccc3C3(CC3)C2)c1[O-] ZINC000775870836 1135833592 /nfs/dbraw/zinc/83/35/92/1135833592.db2.gz GWOOCXQFBAUKQJ-UHFFFAOYSA-N -1 3 325.383 3.781 20 10 EHCDHM CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C)c1cccnc1 ZINC000809765598 1135888662 /nfs/dbraw/zinc/88/86/62/1135888662.db2.gz PGXTZJVZVHYCPV-NSHDSACASA-N -1 3 335.791 3.932 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)ccc1O ZINC000811691357 1136124867 /nfs/dbraw/zinc/12/48/67/1136124867.db2.gz LQZCWBMYVJFICY-UHFFFAOYSA-N -1 3 345.342 3.829 20 10 EHCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])Cc2ccccc2O1 ZINC000814177896 1136411334 /nfs/dbraw/zinc/41/13/34/1136411334.db2.gz TYWRWPGNHYPKHU-GFCCVEGCSA-N -1 3 348.240 3.938 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@H]2c2ccncc2)c1[O-] ZINC000854043194 1136582956 /nfs/dbraw/zinc/58/29/56/1136582956.db2.gz FJWJOBAUZYCWPY-GOSISDBHSA-N -1 3 328.387 3.712 20 10 EHCDHM C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000855347830 1136689309 /nfs/dbraw/zinc/68/93/09/1136689309.db2.gz ASPQSBGAZAKHPG-IBGZPJMESA-N -1 3 345.826 3.989 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN1CCN(Cc2cccs2)CC1 ZINC000816482335 1136722871 /nfs/dbraw/zinc/72/28/71/1136722871.db2.gz BVJHZYMOJFVEAT-UHFFFAOYSA-N -1 3 340.851 3.564 20 10 EHCDHM C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631780 1136886907 /nfs/dbraw/zinc/88/69/07/1136886907.db2.gz PVMIEZYIXYAZFZ-IFXJQAMLSA-N -1 3 325.408 3.744 20 10 EHCDHM C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631780 1136886911 /nfs/dbraw/zinc/88/69/11/1136886911.db2.gz PVMIEZYIXYAZFZ-IFXJQAMLSA-N -1 3 325.408 3.744 20 10 EHCDHM Cc1ccc2c(c1C)OC[C@H]2NCc1c([O-])cccc1Br ZINC000858129510 1136942421 /nfs/dbraw/zinc/94/24/21/1136942421.db2.gz LYWXDEXYANDZEP-OAHLLOKOSA-N -1 3 348.240 3.995 20 10 EHCDHM [O-]c1cccc(Br)c1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000862363955 1137140264 /nfs/dbraw/zinc/14/02/64/1137140264.db2.gz XXFCENKGUMJBDI-AWEZNQCLSA-N -1 3 336.233 3.605 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CC(Cc2cccs2)C1 ZINC000862538932 1137149008 /nfs/dbraw/zinc/14/90/08/1137149008.db2.gz WFJQOOGEYQBUAF-UHFFFAOYSA-N -1 3 338.270 3.891 20 10 EHCDHM COc1c([O-])c(CN2CC(c3cccc(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC000824987949 1137161348 /nfs/dbraw/zinc/16/13/48/1137161348.db2.gz FCKQARQIKFPOGA-UHFFFAOYSA-N -1 3 348.786 3.562 20 10 EHCDHM C[C@H](O)[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1F ZINC000846015548 1137326094 /nfs/dbraw/zinc/32/60/94/1137326094.db2.gz YGSHKNKPWCVSOX-XXFAHNHDSA-N -1 3 327.758 3.536 20 10 EHCDHM C[C@H](Nc1ccc(CCNC(=O)N(C)C)cc1)c1ccc(F)cc1[O-] ZINC000866460051 1137356874 /nfs/dbraw/zinc/35/68/74/1137356874.db2.gz RNYIYLSIYSVSFY-ZDUSSCGKSA-N -1 3 345.418 3.518 20 10 EHCDHM O=C(Nc1cc(C2CCCCC2)ccc1O)c1cc(O)c([O-])c(O)c1 ZINC001148586130 1137429037 /nfs/dbraw/zinc/42/90/37/1137429037.db2.gz KEYCKWMCOASWBR-UHFFFAOYSA-N -1 3 343.379 3.809 20 10 EHCDHM O=c1cc(NCc2cc3ccccc3cc2[O-])ccn1-c1cccnc1 ZINC001171407551 1137474146 /nfs/dbraw/zinc/47/41/46/1137474146.db2.gz OYRINCMYWZZACA-UHFFFAOYSA-N -1 3 343.386 3.703 20 10 EHCDHM CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000881657040 1137812812 /nfs/dbraw/zinc/81/28/12/1137812812.db2.gz JZGAPEYWVCPYEC-CYBMUJFWSA-N -1 3 347.361 3.784 20 10 EHCDHM Cc1ccc(CN[C@@H](C)c2c([O-])cccc2F)c(O[C@@H]2CCOC2)c1 ZINC000886538150 1138093103 /nfs/dbraw/zinc/09/31/03/1138093103.db2.gz CHCGOHRGBXAWQV-GOEBONIOSA-N -1 3 345.414 3.858 20 10 EHCDHM C[C@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1c([O-])cccc1F ZINC000886558068 1138096630 /nfs/dbraw/zinc/09/66/30/1138096630.db2.gz ASHJTKPZNUEEJB-IINYFYTJSA-N -1 3 343.320 3.934 20 10 EHCDHM C[C@@H](Nc1cccc(CN2CCCC2=O)c1)c1c([O-])cccc1F ZINC000886566072 1138098090 /nfs/dbraw/zinc/09/80/90/1138098090.db2.gz HQABLTVUVVQHGB-CYBMUJFWSA-N -1 3 328.387 3.827 20 10 EHCDHM C[C@H](N[C@@H](CO)c1cccc(C(F)(F)F)c1)c1c([O-])cccc1F ZINC000886644842 1138105719 /nfs/dbraw/zinc/10/57/19/1138105719.db2.gz LXPCUEAMNWKEGO-HZMBPMFUSA-N -1 3 343.320 3.934 20 10 EHCDHM COCc1ccc([C@@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2[O-])o1 ZINC000130884886 1138482794 /nfs/dbraw/zinc/48/27/94/1138482794.db2.gz IZAKWHWVPYWCJX-KRWDZBQOSA-N -1 3 347.386 3.810 20 10 EHCDHM CCNC(=O)N1CCc2ccc(NCc3c([O-])cccc3Cl)cc21 ZINC000151716043 1139053238 /nfs/dbraw/zinc/05/32/38/1139053238.db2.gz IENSSCKBDLOLEK-UHFFFAOYSA-N -1 3 345.830 3.750 20 10 EHCDHM C[C@@H](Nc1cc(F)cc(N2CCOCC2)c1)c1ccc(F)cc1[O-] ZINC000186435060 1140203680 /nfs/dbraw/zinc/20/36/80/1140203680.db2.gz IUCXXJIGUUQGJZ-GFCCVEGCSA-N -1 3 334.366 3.680 20 10 EHCDHM C[C@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1ccc(F)cc1[O-] ZINC000186466845 1140205466 /nfs/dbraw/zinc/20/54/66/1140205466.db2.gz YXOKCXGLBNDDAH-KGLIPLIRSA-N -1 3 330.403 3.930 20 10 EHCDHM Cc1nnc([C@H](C)N[C@H](C)c2cc(Br)ccc2[O-])s1 ZINC000274285398 1141493621 /nfs/dbraw/zinc/49/36/21/1141493621.db2.gz ZEQGBBGGJMXSMM-SFYZADRCSA-N -1 3 342.262 3.726 20 10 EHCDHM [O-]c1c(Br)cccc1CNCc1ccc(F)cc1F ZINC000051017125 214074287 /nfs/dbraw/zinc/07/42/87/214074287.db2.gz DQHWNQPMIRGGGA-UHFFFAOYSA-N -1 3 328.156 3.723 20 10 EHCDHM CN(C)c1ccc(-c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000825875429 607644600 /nfs/dbraw/zinc/64/46/00/607644600.db2.gz PECGTAICAJQUNA-UHFFFAOYSA-N -1 3 348.435 3.723 20 10 EHCDHM CN(C)c1ccc(-c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000825875429 607644602 /nfs/dbraw/zinc/64/46/02/607644602.db2.gz PECGTAICAJQUNA-UHFFFAOYSA-N -1 3 348.435 3.723 20 10 EHCDHM CSc1cccc(F)c1CN[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001599821918 988528984 /nfs/dbraw/zinc/52/89/84/988528984.db2.gz KMOSDTJXYLKWCD-SNVBAGLBSA-N -1 3 335.400 3.802 20 10 EHCDHM C[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccc2c(c1)CCCO2 ZINC001593198973 994177574 /nfs/dbraw/zinc/17/75/74/994177574.db2.gz WGDVNQFXKVRUIZ-STQMWFEESA-N -1 3 341.407 3.827 20 10 EHCDHM C[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccc2c(c1)CCCO2 ZINC001593198968 994177597 /nfs/dbraw/zinc/17/75/97/994177597.db2.gz WGDVNQFXKVRUIZ-CHWSQXEVSA-N -1 3 341.407 3.827 20 10 EHCDHM C[C@@H]([NH2+]CCCCOc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265357 994572010 /nfs/dbraw/zinc/57/20/10/994572010.db2.gz SBFHEAFVHPGTQI-CQSZACIVSA-N -1 3 329.396 3.600 20 10 EHCDHM C[C@@H](N[C@H](c1nccn1C)c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000184960034 1032347225 /nfs/dbraw/zinc/34/72/25/1032347225.db2.gz SYTSDRNKVRGCSC-XIKOKIGWSA-N -1 3 343.377 3.844 20 10 EHCDHM Cc1cc([O-])c(CN2CCn3cnc(C(F)(F)F)c3C2)cc1Cl ZINC000895559893 1024611220 /nfs/dbraw/zinc/61/12/20/1024611220.db2.gz QDVLMQRWXSDXLG-UHFFFAOYSA-N -1 3 345.752 3.585 20 10 EHCDHM CN(C)c1ccc([S@@](C)(=O)=NCc2c([O-])cccc2Cl)cc1 ZINC000895734223 1024787098 /nfs/dbraw/zinc/78/70/98/1024787098.db2.gz KQYQYSHOAWCGSV-JOCHJYFZSA-N -1 3 338.860 3.769 20 10 EHCDHM CC(C)Oc1ccccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273296468 1027362520 /nfs/dbraw/zinc/36/25/20/1027362520.db2.gz ADYYIAGWFUASLM-ZDUSSCGKSA-N -1 3 330.384 3.938 20 10 EHCDHM CC(C)(C)c1ncc2c(n1)CCN(Cc1c([O-])cccc1Cl)C2 ZINC000529641081 1034331451 /nfs/dbraw/zinc/33/14/51/1034331451.db2.gz JCYQUMLDTHVEBM-UHFFFAOYSA-N -1 3 331.847 3.691 20 10 EHCDHM [O-]c1c(F)cccc1CNc1ccc2nccnc2c1Br ZINC000313766132 1042214527 /nfs/dbraw/zinc/21/45/27/1042214527.db2.gz WAQRMWZPVKOWIT-UHFFFAOYSA-N -1 3 348.175 3.849 20 10 EHCDHM Cc1cnc(Cl)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168528577 1126922102 /nfs/dbraw/zinc/92/21/02/1126922102.db2.gz VHPSGSQUOCKJTR-UHFFFAOYSA-N -1 3 335.194 3.958 20 10 EHCDHM C[C@@H](N[C@@H](C)c1noc(Cc2ccccc2)n1)c1cc(F)ccc1[O-] ZINC000185667486 1126976009 /nfs/dbraw/zinc/97/60/09/1126976009.db2.gz HZYSDVMQTVCNTR-OLZOCXBDSA-N -1 3 341.386 3.917 20 10 EHCDHM C[C@@H](N[C@@H](C)c1cc(F)ccc1[O-])c1noc(Cc2ccccc2)n1 ZINC000185667505 1126976075 /nfs/dbraw/zinc/97/60/75/1126976075.db2.gz HZYSDVMQTVCNTR-QWHCGFSZSA-N -1 3 341.386 3.917 20 10 EHCDHM O=C(Nc1cccc(N2CCCCCC2)c1)c1cccc2n[n-]nc21 ZINC000182779135 1125367962 /nfs/dbraw/zinc/36/79/62/1125367962.db2.gz VXUTVRCOFLNDQI-UHFFFAOYSA-N -1 3 335.411 3.591 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CCCc3cccnc32)c1[O-] ZINC000922881842 1129703877 /nfs/dbraw/zinc/70/38/77/1129703877.db2.gz SOCRZDYLGNTUTL-ZDUSSCGKSA-N -1 3 333.775 3.516 20 10 EHCDHM O=C(COc1ccc(Cl)cc1Cl)NCc1c([O-])cccc1F ZINC001156164355 1132514627 /nfs/dbraw/zinc/51/46/27/1132514627.db2.gz XTYONIWYNGMPLJ-UHFFFAOYSA-N -1 3 344.169 3.533 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC001178410549 1133167135 /nfs/dbraw/zinc/16/71/35/1133167135.db2.gz SBEAVVLBRORNBL-UHFFFAOYSA-N -1 3 338.382 3.821 20 10 EHCDHM CCc1ccc(CN2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001183527335 1133814974 /nfs/dbraw/zinc/81/49/74/1133814974.db2.gz VAODFIAMGKPXAG-UHFFFAOYSA-N -1 3 346.421 3.551 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCn3c(Cl)ccc3[C@@H]2C)c1[O-] ZINC000787656088 1134025911 /nfs/dbraw/zinc/02/59/11/1134025911.db2.gz XSOFCLVQTWEFST-JTQLQIEISA-N -1 3 336.794 3.766 20 10 EHCDHM C[C@@H](NCc1ncnn1C(C)(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788822064 1134177471 /nfs/dbraw/zinc/17/74/71/1134177471.db2.gz IXQFBLDJEPVRMT-SNVBAGLBSA-N -1 3 342.365 3.608 20 10 EHCDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1OC1CCCC1 ZINC000790528141 1134431613 /nfs/dbraw/zinc/43/16/13/1134431613.db2.gz MRRDWZSSMLAVOS-UHFFFAOYSA-N -1 3 343.379 3.680 20 10 EHCDHM Cc1ccc(C[C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000790601558 1134441556 /nfs/dbraw/zinc/44/15/56/1134441556.db2.gz NVYCSXJBSLIWHQ-MRXNPFEDSA-N -1 3 325.408 3.501 20 10 EHCDHM COc1ccc2oc([C@H](C)NC(=O)c3cccc(O)c3[O-])c(C)c2c1 ZINC000790663352 1134452912 /nfs/dbraw/zinc/45/29/12/1134452912.db2.gz FKDCKJNPNORUBZ-NSHDSACASA-N -1 3 341.363 3.652 20 10 EHCDHM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000790785821 1134465153 /nfs/dbraw/zinc/46/51/53/1134465153.db2.gz YOACYDSONITONM-CYBMUJFWSA-N -1 3 345.704 3.785 20 10 EHCDHM O=C(Nc1ccc(COc2ccccc2)cc1)c1cccc(O)c1[O-] ZINC000790914406 1134482116 /nfs/dbraw/zinc/48/21/16/1134482116.db2.gz AEJIZUVZIGPZQC-UHFFFAOYSA-N -1 3 335.359 3.929 20 10 EHCDHM O=C1CCCC(=O)N1c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000793259627 1134892039 /nfs/dbraw/zinc/89/20/39/1134892039.db2.gz LXINOLCHOVQNQR-UHFFFAOYSA-N -1 3 344.798 3.701 20 10 EHCDHM O=c1cc(CN2CCCc3cc(OC(F)F)ccc32)nc(C2CC2)[n-]1 ZINC001191655793 1134900638 /nfs/dbraw/zinc/90/06/38/1134900638.db2.gz QXGHQKWBZXYYKA-UHFFFAOYSA-N -1 3 347.365 3.614 20 10 EHCDHM COc1ccc(N(Cc2cc(=O)[n-]c(C3CC3)n2)C(C)C)cc1F ZINC001192139625 1134974899 /nfs/dbraw/zinc/97/48/99/1134974899.db2.gz HOBOQPJYQNFOJJ-UHFFFAOYSA-N -1 3 331.391 3.622 20 10 EHCDHM CC[C@@H](C)OC(=O)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001195125957 1135374440 /nfs/dbraw/zinc/37/44/40/1135374440.db2.gz SLBFMLSMIUOLMJ-SNVBAGLBSA-N -1 3 339.347 3.515 20 10 EHCDHM CC[C@H](NCc1cn(-c2ccccc2)nn1)c1cccc(Cl)c1[O-] ZINC000806147302 1135401037 /nfs/dbraw/zinc/40/10/37/1135401037.db2.gz HNBXRTSVGLIPJU-KRWDZBQOSA-N -1 3 342.830 3.867 20 10 EHCDHM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cccc(O)c1[O-] ZINC000776343408 1136159448 /nfs/dbraw/zinc/15/94/48/1136159448.db2.gz RXVGSDLVSZKZIX-AWEZNQCLSA-N -1 3 349.333 3.507 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1Cc2ccccc2-c2ccccc2C1 ZINC000776643245 1136506999 /nfs/dbraw/zinc/50/69/99/1136506999.db2.gz NJKVDNGLKJVGSS-UHFFFAOYSA-N -1 3 331.371 3.921 20 10 EHCDHM C[C@H](NCc1cnccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000853243036 1136521635 /nfs/dbraw/zinc/52/16/35/1136521635.db2.gz WOONTLDELHXVGR-VIFPVBQESA-N -1 3 341.289 3.565 20 10 EHCDHM CC(C)(C)C[N@H+](CC(=O)[O-])Cc1cc(-c2ccccc2)ccc1[O-] ZINC000854244001 1136601126 /nfs/dbraw/zinc/60/11/26/1136601126.db2.gz LDKDHCZAOMMQMN-UHFFFAOYSA-N -1 3 327.424 3.992 20 10 EHCDHM CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc(-c2ccccc2)ccc1[O-] ZINC000854244001 1136601128 /nfs/dbraw/zinc/60/11/28/1136601128.db2.gz LDKDHCZAOMMQMN-UHFFFAOYSA-N -1 3 327.424 3.992 20 10 EHCDHM CO[C@]1(C(F)(F)F)CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816585795 1136734848 /nfs/dbraw/zinc/73/48/48/1136734848.db2.gz SBSAEOCWPSCNOJ-CYBMUJFWSA-N -1 3 341.732 3.728 20 10 EHCDHM CCc1ccc(C(=O)NCc2ccc(N(CC)CC)cc2)c([O-])c1 ZINC001136300032 1136975090 /nfs/dbraw/zinc/97/50/90/1136975090.db2.gz DGFGNLZTGPGALN-UHFFFAOYSA-N -1 3 326.440 3.731 20 10 EHCDHM CC(C)OCCOC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000825208129 1137168862 /nfs/dbraw/zinc/16/88/62/1137168862.db2.gz RSRYGZNGDKLJTF-UHFFFAOYSA-N -1 3 345.842 3.591 20 10 EHCDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@]2(CC2(F)F)C1 ZINC001144306998 1137270796 /nfs/dbraw/zinc/27/07/96/1137270796.db2.gz ZVQPOARTIJINFC-GFCCVEGCSA-N -1 3 336.151 3.525 20 10 EHCDHM C[C@H](NCc1cccnc1F)c1cc(Br)c(F)cc1[O-] ZINC000794838398 1137284772 /nfs/dbraw/zinc/28/47/72/1137284772.db2.gz YNJRHYWUPFMGMW-QMMMGPOBSA-N -1 3 343.171 3.679 20 10 EHCDHM CC(C)(C)n1ncc(NCc2cc(Cl)ccc2[O-])c(Cl)c1=O ZINC000845708526 1137305632 /nfs/dbraw/zinc/30/56/32/1137305632.db2.gz FSLBPGBXFNMXCJ-UHFFFAOYSA-N -1 3 342.226 3.623 20 10 EHCDHM CC[C@@H](NCc1ncc(Br)s1)c1ccc(F)cc1[O-] ZINC000866619872 1137370228 /nfs/dbraw/zinc/37/02/28/1137370228.db2.gz ILWUNHLIPDQTFO-SNVBAGLBSA-N -1 3 345.237 3.991 20 10 EHCDHM O=c1c(NCc2cc3ccccc3cc2[O-])cccn1CC(F)(F)F ZINC001171406957 1137473015 /nfs/dbraw/zinc/47/30/15/1137473015.db2.gz HSENXFFHLHKFAA-UHFFFAOYSA-N -1 3 348.324 3.882 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877672671 1137685272 /nfs/dbraw/zinc/68/52/72/1137685272.db2.gz KDWTZJNXYCIELX-XJKSGUPXSA-N -1 3 335.806 3.883 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN[C@@H]1CCOc2c(Cl)cccc21 ZINC000882918396 1137838502 /nfs/dbraw/zinc/83/85/02/1137838502.db2.gz JRFYAEULQRDRIP-CQSZACIVSA-N -1 3 325.742 3.937 20 10 EHCDHM COC[C@H](NCc1cc(F)cc(F)c1[O-])c1cccc(Cl)c1 ZINC000883121222 1137845252 /nfs/dbraw/zinc/84/52/52/1137845252.db2.gz BHSXWHDLDJKUMS-HNNXBMFYSA-N -1 3 327.758 3.801 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNCc2cc(C3CC3)no2)c1 ZINC000886270808 1138063177 /nfs/dbraw/zinc/06/31/77/1138063177.db2.gz NKIJNBMDKUYICN-UHFFFAOYSA-N -1 3 337.217 3.618 20 10 EHCDHM COC[C@H](N[C@H](C)c1c([O-])cccc1F)c1ccc(F)c(F)c1 ZINC000886562112 1138097612 /nfs/dbraw/zinc/09/76/12/1138097612.db2.gz QQYGOAWRVAXDKC-BMIGLBTASA-N -1 3 325.330 3.848 20 10 EHCDHM Cc1cc(N2CCOCC2)ccc1N[C@@H](C)c1c([O-])cccc1F ZINC000886563957 1138097620 /nfs/dbraw/zinc/09/76/20/1138097620.db2.gz JRCCGGJZHPBHBQ-AWEZNQCLSA-N -1 3 330.403 3.849 20 10 EHCDHM C[C@@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1c([O-])cccc1F ZINC000886623988 1138103221 /nfs/dbraw/zinc/10/32/21/1138103221.db2.gz VAYVDVVNRAHTJK-WKFLNTIRSA-N -1 3 337.416 3.517 20 10 EHCDHM O=C([O-])Nc1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000834258315 605594494 /nfs/dbraw/zinc/59/44/94/605594494.db2.gz DVAINGCUKOIUCY-UHFFFAOYSA-N -1 3 341.411 3.822 20 10 EHCDHM O=C([O-])Nc1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cn1 ZINC000834258315 605594495 /nfs/dbraw/zinc/59/44/95/605594495.db2.gz DVAINGCUKOIUCY-UHFFFAOYSA-N -1 3 341.411 3.822 20 10 EHCDHM COc1ccc(O)c([C@H](C)NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000833733347 605845317 /nfs/dbraw/zinc/84/53/17/605845317.db2.gz DZPAGWWFJOLDMN-JTQLQIEISA-N -1 3 335.787 3.603 20 10 EHCDHM CC[C@]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001595299143 980424402 /nfs/dbraw/zinc/42/44/02/980424402.db2.gz LJHCBPGQIRQOMK-GOSISDBHSA-N -1 3 349.814 3.534 20 10 EHCDHM CCC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@H](O)c1ccccc1 ZINC001595600877 981584378 /nfs/dbraw/zinc/58/43/78/981584378.db2.gz PBBVQSNQBHMEHP-SOVGHPHASA-N -1 3 343.423 3.643 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2ccncc2)c1[O-] ZINC000153989435 1014755477 /nfs/dbraw/zinc/75/54/77/1014755477.db2.gz FJGJVVUJKLMHJQ-KRWDZBQOSA-N -1 3 330.815 3.980 20 10 EHCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001595748049 982417298 /nfs/dbraw/zinc/41/72/98/982417298.db2.gz QNUJBTMIPFGRAC-IBGZPJMESA-N -1 3 343.423 3.829 20 10 EHCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001595748049 982417300 /nfs/dbraw/zinc/41/73/00/982417300.db2.gz QNUJBTMIPFGRAC-IBGZPJMESA-N -1 3 343.423 3.829 20 10 EHCDHM C[C@H]([NH2+]CC1(c2cccc(F)c2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593250884 994489583 /nfs/dbraw/zinc/48/95/83/994489583.db2.gz BBXAFHWEALKDTP-LBPRGKRZSA-N -1 3 329.371 3.612 20 10 EHCDHM CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc(Cl)ccc1[O-] ZINC000160647385 1020045350 /nfs/dbraw/zinc/04/53/50/1020045350.db2.gz OUXYHGNDHLIAPS-UHFFFAOYSA-N -1 3 348.830 3.515 20 10 EHCDHM CC(C)(C)OC(=O)c1ccc(CNCc2c([O-])cccc2F)s1 ZINC000896640090 1025794961 /nfs/dbraw/zinc/79/49/61/1025794961.db2.gz GGWPRKBBAAHQSO-UHFFFAOYSA-N -1 3 337.416 3.838 20 10 EHCDHM COc1ccc(Cl)cc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273555656 1027492344 /nfs/dbraw/zinc/49/23/44/1027492344.db2.gz GWTNBEYWKFJOGQ-SNVBAGLBSA-N -1 3 336.775 3.813 20 10 EHCDHM CC[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1nnc2n1CCCCC2 ZINC000273617291 1027521375 /nfs/dbraw/zinc/52/13/75/1027521375.db2.gz XSNRKVRQXNJJNX-IUODEOHRSA-N -1 3 332.423 3.651 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1O ZINC000189314081 1040221019 /nfs/dbraw/zinc/22/10/19/1040221019.db2.gz FLTHDPJAHVYDEY-UHFFFAOYSA-N -1 3 345.342 3.606 20 10 EHCDHM [O-]c1c(CNc2ccc3c(c2)OCO3)cc(Cl)c2cccnc12 ZINC001168522209 1122382146 /nfs/dbraw/zinc/38/21/46/1122382146.db2.gz BFWWCQIIXNUOQJ-UHFFFAOYSA-N -1 3 328.755 3.935 20 10 EHCDHM COC(=O)CN(Cc1ccccc1C)Cc1cc(Cl)ccc1[O-] ZINC000731844627 1130848086 /nfs/dbraw/zinc/84/80/86/1130848086.db2.gz HAPTVCPHYOTMJD-UHFFFAOYSA-N -1 3 333.815 3.529 20 10 EHCDHM CCN(Cc1cc(Br)ccc1[O-])Cc1ncccc1F ZINC001180141620 1133330085 /nfs/dbraw/zinc/33/00/85/1133330085.db2.gz HGQBHEQPOHUTLY-UHFFFAOYSA-N -1 3 339.208 3.711 20 10 EHCDHM Cc1ccc(NC(=O)CN(C)Cc2c([O-])cc(C)cc2Cl)cc1 ZINC001180103382 1133332013 /nfs/dbraw/zinc/33/20/13/1133332013.db2.gz MCQOOIPNFZXYPF-UHFFFAOYSA-N -1 3 332.831 3.733 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC001180177952 1133335411 /nfs/dbraw/zinc/33/54/11/1133335411.db2.gz JSIPLIUTYVVXEU-KRWDZBQOSA-N -1 3 333.378 3.852 20 10 EHCDHM [O-]c1cc(Cl)ccc1CNc1ccccc1N1CCC(CO)CC1 ZINC001180350040 1133359827 /nfs/dbraw/zinc/35/98/27/1133359827.db2.gz TZPSRHPJICPHBV-UHFFFAOYSA-N -1 3 346.858 3.866 20 10 EHCDHM [O-]c1c(CN2CC[C@@H](c3c(F)cccc3F)C2)ccc(F)c1F ZINC001183779524 1133853928 /nfs/dbraw/zinc/85/39/28/1133853928.db2.gz OGSXKFYNIKLNMP-SNVBAGLBSA-N -1 3 325.305 3.938 20 10 EHCDHM Cc1cc(N(C)C)ccc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000786987622 1133936946 /nfs/dbraw/zinc/93/69/46/1133936946.db2.gz GOKCRYJCQRSKSH-UHFFFAOYSA-N -1 3 344.430 3.545 20 10 EHCDHM COc1c([O-])c(CN2CCCc3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC000775056839 1134263837 /nfs/dbraw/zinc/26/38/37/1134263837.db2.gz NEVATUAQEUVKCA-UHFFFAOYSA-N -1 3 328.368 3.570 20 10 EHCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000790416443 1134413368 /nfs/dbraw/zinc/41/33/68/1134413368.db2.gz ZTNPSNNMMYGPFB-UHFFFAOYSA-N -1 3 333.453 3.954 20 10 EHCDHM COc1ccc2oc([C@@H](C)NC(=O)c3cccc(O)c3[O-])c(C)c2c1 ZINC000790663351 1134453261 /nfs/dbraw/zinc/45/32/61/1134453261.db2.gz FKDCKJNPNORUBZ-LLVKDONJSA-N -1 3 341.363 3.652 20 10 EHCDHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000790890049 1134476876 /nfs/dbraw/zinc/47/68/76/1134476876.db2.gz PNLJIQSQQQAIBU-DOTOQJQBSA-N -1 3 325.408 3.815 20 10 EHCDHM CC(C)[C@H](NCc1c([O-])ccc(Cl)c1F)c1nnc2ccccn21 ZINC000790955248 1134484567 /nfs/dbraw/zinc/48/45/67/1134484567.db2.gz PDFQGFQTKYXYTL-INIZCTEOSA-N -1 3 348.809 3.714 20 10 EHCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](C)CC(C)C ZINC001191682742 1134898193 /nfs/dbraw/zinc/89/81/93/1134898193.db2.gz RPSMGNNBADGIOZ-CYBMUJFWSA-N -1 3 327.852 3.703 20 10 EHCDHM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(O)cc3C)ccc2c1 ZINC001191966736 1134952970 /nfs/dbraw/zinc/95/29/70/1134952970.db2.gz YCICBSOXZCTECY-UHFFFAOYSA-N -1 3 343.404 3.663 20 10 EHCDHM CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](C)c1cccnc1 ZINC000809765596 1135888419 /nfs/dbraw/zinc/88/84/19/1135888419.db2.gz PGXTZJVZVHYCPV-LLVKDONJSA-N -1 3 335.791 3.932 20 10 EHCDHM CC[C@H](NCc1csc(COC)n1)c1cc(Cl)ccc1[O-] ZINC000810252233 1135948153 /nfs/dbraw/zinc/94/81/53/1135948153.db2.gz ANHADFDWNDRMPY-ZDUSSCGKSA-N -1 3 326.849 3.889 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccnc(-c2ccccc2)c1 ZINC001202243644 1136119293 /nfs/dbraw/zinc/11/92/93/1136119293.db2.gz AGIXPNAAXMSVSR-UHFFFAOYSA-N -1 3 337.354 3.915 20 10 EHCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000811684900 1136121796 /nfs/dbraw/zinc/12/17/96/1136121796.db2.gz XTFANIGJJKTVCP-UHFFFAOYSA-N -1 3 345.342 3.829 20 10 EHCDHM Cc1cc(Br)c([O-])c(CN[C@@H](C)c2cscn2)c1 ZINC000850359734 1136240880 /nfs/dbraw/zinc/24/08/80/1136240880.db2.gz PJMLBMMMVQWWII-VIFPVBQESA-N -1 3 327.247 3.770 20 10 EHCDHM COc1ccncc1CN[C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815628753 1136621433 /nfs/dbraw/zinc/62/14/33/1136621433.db2.gz IOAKHJAFINMVMA-SNVBAGLBSA-N -1 3 326.318 3.665 20 10 EHCDHM Cc1ccc(O[C@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])C2)nc1 ZINC000858012035 1136930410 /nfs/dbraw/zinc/93/04/10/1136930410.db2.gz BNZDJSDOCXTRGD-ZDUSSCGKSA-N -1 3 336.794 3.541 20 10 EHCDHM [O-]c1cc(Br)ccc1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000824649570 1137146048 /nfs/dbraw/zinc/14/60/48/1137146048.db2.gz FLMNWMIQFNULKT-ZDUSSCGKSA-N -1 3 336.233 3.605 20 10 EHCDHM CCCOC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144299810 1137268779 /nfs/dbraw/zinc/26/87/79/1137268779.db2.gz IXIMAEKPXAKHGL-UHFFFAOYSA-N -1 3 346.240 3.685 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN[C@H]1CCOc2c(Cl)cccc21 ZINC000882918395 1137838492 /nfs/dbraw/zinc/83/84/92/1137838492.db2.gz JRFYAEULQRDRIP-AWEZNQCLSA-N -1 3 325.742 3.937 20 10 EHCDHM Cc1cc(N2CCOCC2)ccc1N[C@H](C)c1ccc(F)cc1[O-] ZINC000186241970 1140193633 /nfs/dbraw/zinc/19/36/33/1140193633.db2.gz VRMVVNFUCAVTFN-CQSZACIVSA-N -1 3 330.403 3.849 20 10 EHCDHM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737269253 599063489 /nfs/dbraw/zinc/06/34/89/599063489.db2.gz ANUOLBXXJUZQSB-UHFFFAOYSA-N -1 3 342.834 3.507 20 10 EHCDHM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737269253 599063492 /nfs/dbraw/zinc/06/34/92/599063492.db2.gz ANUOLBXXJUZQSB-UHFFFAOYSA-N -1 3 342.834 3.507 20 10 EHCDHM O=C([O-])[C@H]1CC12CC[NH+](Cc1cc(-c3ccccc3)ccc1[O-])CC2 ZINC000833771588 604650110 /nfs/dbraw/zinc/65/01/10/604650110.db2.gz JWYAGPQYNYIASY-GOSISDBHSA-N -1 3 337.419 3.746 20 10 EHCDHM CCN(CC)c1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)n2C)cc1 ZINC001596289078 983709015 /nfs/dbraw/zinc/70/90/15/983709015.db2.gz DKKJTIHNDIQYBL-UHFFFAOYSA-N -1 3 343.471 3.510 20 10 EHCDHM COc1ccc(O)c([C@H](C)N[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599598502 993780872 /nfs/dbraw/zinc/78/08/72/993780872.db2.gz NZMQNZKLNUKDSU-QFYYESIMSA-N -1 3 335.787 3.531 20 10 EHCDHM C[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252762 994508801 /nfs/dbraw/zinc/50/88/01/994508801.db2.gz VCHUIMWWNLCLHU-NWDGAFQWSA-N -1 3 327.371 3.957 20 10 EHCDHM COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000729277939 1019258177 /nfs/dbraw/zinc/25/81/77/1019258177.db2.gz JXPPGNHSCWUPNW-GFCCVEGCSA-N -1 3 329.396 3.721 20 10 EHCDHM Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)c([O-])c1O ZINC000780969115 1032829636 /nfs/dbraw/zinc/82/96/36/1032829636.db2.gz ONFWDGCQLLNTAY-UHFFFAOYSA-N -1 3 325.286 3.986 20 10 EHCDHM C[C@@H](c1ccncc1)N(C)Cc1cc(Br)cc(F)c1[O-] ZINC000894450343 1022298715 /nfs/dbraw/zinc/29/87/15/1022298715.db2.gz YZLHQNCQJHKQQS-JTQLQIEISA-N -1 3 339.208 3.882 20 10 EHCDHM Cc1cccc(CC2(O)CCN(Cc3cc(F)cc(F)c3[O-])CC2)c1 ZINC000894618996 1022621329 /nfs/dbraw/zinc/62/13/29/1022621329.db2.gz IQIBBQUMDPRWBQ-UHFFFAOYSA-N -1 3 347.405 3.548 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CNCc1nc2c(s1)CCCC2 ZINC000896824859 1026096164 /nfs/dbraw/zinc/09/61/64/1026096164.db2.gz MFHVQJHKJQTSSU-UHFFFAOYSA-N -1 3 326.824 3.810 20 10 EHCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000176711305 1026805148 /nfs/dbraw/zinc/80/51/48/1026805148.db2.gz LBYVDSNDWHKGQS-UHFFFAOYSA-N -1 3 345.342 3.829 20 10 EHCDHM COc1ccc(F)cc1[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273404469 1027413663 /nfs/dbraw/zinc/41/36/63/1027413663.db2.gz OAYRRAOFRDOVQQ-WDEREUQCSA-N -1 3 334.347 3.860 20 10 EHCDHM CC[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1nnc2n1CCCCC2 ZINC000273617297 1027520820 /nfs/dbraw/zinc/52/08/20/1027520820.db2.gz XSNRKVRQXNJJNX-WFASDCNBSA-N -1 3 332.423 3.651 20 10 EHCDHM Cc1ncc(CN(C)Cc2cccc(Br)c2[O-])s1 ZINC000179382736 1034266598 /nfs/dbraw/zinc/26/65/98/1034266598.db2.gz CVZMEUKZTSEDDM-UHFFFAOYSA-N -1 3 327.247 3.552 20 10 EHCDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1cn(-c2ccccc2)nn1 ZINC000186112839 1035585050 /nfs/dbraw/zinc/58/50/50/1035585050.db2.gz ICHBAFKGVAPYSU-STQMWFEESA-N -1 3 326.375 3.524 20 10 EHCDHM C[C@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000186652683 1035679563 /nfs/dbraw/zinc/67/95/63/1035679563.db2.gz DQUVSJOJWCLNBF-BUXKBTBVSA-N -1 3 343.377 3.844 20 10 EHCDHM Cc1ccc(C(=O)Nc2cnccc2Oc2ccccc2)c([O-])c1O ZINC000182266400 1038571653 /nfs/dbraw/zinc/57/16/53/1038571653.db2.gz OKISTRDLLDTCQH-UHFFFAOYSA-N -1 3 336.347 3.846 20 10 EHCDHM Cc1noc(C)c1CN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756457911 1038824905 /nfs/dbraw/zinc/82/49/05/1038824905.db2.gz HYTRJAICEMERTL-ZETCQYMHSA-N -1 3 343.196 3.749 20 10 EHCDHM [O-]c1c(CNc2ncnc3occc32)cc(Cl)c2cccnc12 ZINC001168527427 1126820291 /nfs/dbraw/zinc/82/02/91/1126820291.db2.gz HTNCXWWBACXCNH-UHFFFAOYSA-N -1 3 326.743 3.742 20 10 EHCDHM CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1c1ccccc1 ZINC000185783340 1127010935 /nfs/dbraw/zinc/01/09/35/1127010935.db2.gz PFHSBICPLYAJBF-GOEBONIOSA-N -1 3 325.408 3.754 20 10 EHCDHM Cc1cc([O-])c(CN2CCC[C@@H]2C(=O)OC(C)(C)C)cc1Cl ZINC001180883183 1133425195 /nfs/dbraw/zinc/42/51/95/1133425195.db2.gz GHNUCFQUVCRTGY-CQSZACIVSA-N -1 3 325.836 3.660 20 10 EHCDHM COc1c([O-])c(CN2CCC[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000774833851 1134035743 /nfs/dbraw/zinc/03/57/43/1134035743.db2.gz PUNCBJXSWUDKFL-HNNXBMFYSA-N -1 3 346.358 3.785 20 10 EHCDHM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)ccc1Cl ZINC001185530081 1134104131 /nfs/dbraw/zinc/10/41/31/1134104131.db2.gz RFXGDYIPUIXKGU-UHFFFAOYSA-N -1 3 325.817 3.772 20 10 EHCDHM COc1c([O-])c(CNc2ccc3nc(C)sc3c2)ccc1[N+](=O)[O-] ZINC000774978464 1134173998 /nfs/dbraw/zinc/17/39/98/1134173998.db2.gz TWQBWYONFJXMED-UHFFFAOYSA-N -1 3 345.380 3.839 20 10 EHCDHM COCN1C(=O)CCc2cc(NCc3c([O-])cccc3Cl)ccc21 ZINC000789564108 1134301242 /nfs/dbraw/zinc/30/12/42/1134301242.db2.gz PMQUZJDCIWGZFA-UHFFFAOYSA-N -1 3 346.814 3.541 20 10 EHCDHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000790522759 1134430640 /nfs/dbraw/zinc/43/06/40/1134430640.db2.gz IFNOMTBHXOOVHC-SNVBAGLBSA-N -1 3 339.313 3.950 20 10 EHCDHM CCSc1cc(CNCc2c([O-])ccc(Cl)c2F)ccn1 ZINC000790987701 1134489501 /nfs/dbraw/zinc/48/95/01/1134489501.db2.gz GPQZJUKVTKLGEY-UHFFFAOYSA-N -1 3 326.824 3.982 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1[O-] ZINC000792900344 1134817228 /nfs/dbraw/zinc/81/72/28/1134817228.db2.gz FTZCCRXLQCNQPJ-DZGCQCFKSA-N -1 3 346.229 3.750 20 10 EHCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc2c(Cl)cccc2c1 ZINC001194215682 1135245025 /nfs/dbraw/zinc/24/50/25/1135245025.db2.gz KWFMEONJILXOKM-UHFFFAOYSA-N -1 3 333.796 4.000 20 10 EHCDHM CCOC(=O)C1(N(C)Cc2cccc(Cl)c2[O-])CCCCC1 ZINC000775724972 1135579340 /nfs/dbraw/zinc/57/93/40/1135579340.db2.gz PFLQJUPDKSNQLO-UHFFFAOYSA-N -1 3 325.836 3.743 20 10 EHCDHM CCOCc1nc([C@H](C)N[C@H](CC)c2cc(Cl)ccc2[O-])no1 ZINC000810256463 1135949376 /nfs/dbraw/zinc/94/93/76/1135949376.db2.gz ZYAFHILKHLLEAP-GXFFZTMASA-N -1 3 339.823 3.767 20 10 EHCDHM Cc1ccc(OC(F)F)c(CNCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001201408804 1136014621 /nfs/dbraw/zinc/01/46/21/1136014621.db2.gz XQHJKCWJTFBZOY-UHFFFAOYSA-N -1 3 338.310 3.500 20 10 EHCDHM O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cccc(O)c1[O-] ZINC000776323785 1136155372 /nfs/dbraw/zinc/15/53/72/1136155372.db2.gz SVKGLUUNFACKRH-UHFFFAOYSA-N -1 3 330.340 3.613 20 10 EHCDHM O=C(Nc1cc(Cc2ccccc2)ccc1O)c1cccc(O)c1[O-] ZINC000776348076 1136161682 /nfs/dbraw/zinc/16/16/82/1136161682.db2.gz HIHFOYZAAVUETG-UHFFFAOYSA-N -1 3 335.359 3.647 20 10 EHCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000854952674 1136656709 /nfs/dbraw/zinc/65/67/09/1136656709.db2.gz MIWMUDAODBWIDN-DOTOQJQBSA-N -1 3 325.408 3.896 20 10 EHCDHM CC(C)(C)c1nnc(CNCc2cc(Cl)c(F)cc2[O-])s1 ZINC000816556143 1136736334 /nfs/dbraw/zinc/73/63/34/1136736334.db2.gz AZRPTMKPRSATHB-UHFFFAOYSA-N -1 3 329.828 3.624 20 10 EHCDHM Cc1ccc2c(c1)nc(CNCc1cc(Cl)c(F)cc1[O-])n2C ZINC000816570649 1136738770 /nfs/dbraw/zinc/73/87/70/1136738770.db2.gz BIQVNXQWVWIWGB-UHFFFAOYSA-N -1 3 333.794 3.670 20 10 EHCDHM C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817882047 1136843319 /nfs/dbraw/zinc/84/33/19/1136843319.db2.gz WKKAKBSGOXAXDF-RDTXWAMCSA-N -1 3 325.408 3.602 20 10 EHCDHM C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817882047 1136843321 /nfs/dbraw/zinc/84/33/21/1136843321.db2.gz WKKAKBSGOXAXDF-RDTXWAMCSA-N -1 3 325.408 3.602 20 10 EHCDHM Cc1ccc(CN(C)Cc2cc(Br)c(F)cc2[O-])cn1 ZINC001144307804 1137271264 /nfs/dbraw/zinc/27/12/64/1137271264.db2.gz IBUHCJZJKHIIGU-UHFFFAOYSA-N -1 3 339.208 3.629 20 10 EHCDHM COc1cccc([C@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2)c1 ZINC001148224661 1137420154 /nfs/dbraw/zinc/42/01/54/1137420154.db2.gz RQHAWYDTHGEDSE-LJQANCHMSA-N -1 3 349.386 3.626 20 10 EHCDHM C[C@H](NCc1ncc(Br)s1)c1ccc(F)cc1[O-] ZINC000714930982 1137474434 /nfs/dbraw/zinc/47/44/34/1137474434.db2.gz AZBRVROKMOAIMF-ZETCQYMHSA-N -1 3 331.210 3.601 20 10 EHCDHM [O-]c1c(CNCc2cc(Cl)cc3c2OCC3)ccc(F)c1F ZINC000877334329 1137674493 /nfs/dbraw/zinc/67/44/93/1137674493.db2.gz OKHPMCSSLOZMDO-UHFFFAOYSA-N -1 3 325.742 3.549 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877672670 1137685243 /nfs/dbraw/zinc/68/52/43/1137685243.db2.gz KDWTZJNXYCIELX-CZUORRHYSA-N -1 3 335.806 3.883 20 10 EHCDHM C[C@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1c([O-])cccc1F ZINC000886585686 1138099275 /nfs/dbraw/zinc/09/92/75/1138099275.db2.gz DFDLYZSZUMMGFJ-KGLIPLIRSA-N -1 3 330.403 3.930 20 10 EHCDHM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000185684604 1140162856 /nfs/dbraw/zinc/16/28/56/1140162856.db2.gz WLPZEQKFHGCMAK-LBPRGKRZSA-N -1 3 339.395 3.519 20 10 EHCDHM C/C(=C\C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)C(=O)[O-] ZINC000833382230 605077059 /nfs/dbraw/zinc/07/70/59/605077059.db2.gz IANFDQJBKANCNS-ASNKMWSDSA-N -1 3 325.408 3.986 20 10 EHCDHM C/C(=C\C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)C(=O)[O-] ZINC000833382230 605077066 /nfs/dbraw/zinc/07/70/66/605077066.db2.gz IANFDQJBKANCNS-ASNKMWSDSA-N -1 3 325.408 3.986 20 10 EHCDHM C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCOC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208803 994230699 /nfs/dbraw/zinc/23/06/99/994230699.db2.gz GEMRBHSLIMKUAH-IYJAJMOOSA-N -1 3 341.407 3.519 20 10 EHCDHM C[C@H](N[C@H]1COc2c1cccc2Cl)c1cc(C(=O)[O-])ccc1O ZINC001593230761 994365798 /nfs/dbraw/zinc/36/57/98/994365798.db2.gz FPFOQHZRWZPABW-XPTSAGLGSA-N -1 3 333.771 3.528 20 10 EHCDHM COc1cccc(C(C)(C)C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001599649411 994473815 /nfs/dbraw/zinc/47/38/15/994473815.db2.gz JLTFVADFAXYFOL-CYBMUJFWSA-N -1 3 343.423 3.727 20 10 EHCDHM C[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252764 994508957 /nfs/dbraw/zinc/50/89/57/994508957.db2.gz VCHUIMWWNLCLHU-RYUDHWBXSA-N -1 3 327.371 3.957 20 10 EHCDHM COc1ccccc1CN(C)Cc1cccc(Br)c1[O-] ZINC000160420537 1018764899 /nfs/dbraw/zinc/76/48/99/1018764899.db2.gz PEXHTIKKGAAAIQ-UHFFFAOYSA-N -1 3 336.229 3.795 20 10 EHCDHM Nc1ccc2c(c1Nc1ccc(F)c([O-])c1)C(=O)c1ccccc1C2=O ZINC001211220654 1019692890 /nfs/dbraw/zinc/69/28/90/1019692890.db2.gz PAXCJCMYDZASDU-UHFFFAOYSA-N -1 3 348.333 3.633 20 10 EHCDHM CCn1ccnc1[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000281024765 1024567945 /nfs/dbraw/zinc/56/79/45/1024567945.db2.gz OPTSUPGHJTXUBJ-KRWDZBQOSA-N -1 3 345.418 3.678 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(F)c(OC)cc2OC)c1 ZINC000273399352 1027411096 /nfs/dbraw/zinc/41/10/96/1027411096.db2.gz GBCDXMNSOZPXCF-SNVBAGLBSA-N -1 3 349.358 3.508 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)c1[O-] ZINC000177267104 1034926768 /nfs/dbraw/zinc/92/67/68/1034926768.db2.gz HWAOWCUZCDJMKZ-ORAYPTAESA-N -1 3 343.398 3.696 20 10 EHCDHM CCN(Cc1ccccn1)Cc1cc(Br)cc(F)c1[O-] ZINC000894021626 1039967730 /nfs/dbraw/zinc/96/77/30/1039967730.db2.gz OJVHZONCAHKPRK-UHFFFAOYSA-N -1 3 339.208 3.711 20 10 EHCDHM COc1ccccc1C1(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000842902238 1127644330 /nfs/dbraw/zinc/64/43/30/1127644330.db2.gz MNYFNCKBOSCJFA-LBPRGKRZSA-N -1 3 328.368 3.649 20 10 EHCDHM COc1nccc(C)c1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522591 1122465556 /nfs/dbraw/zinc/46/55/56/1122465556.db2.gz GBCNPKMWTJVEPC-UHFFFAOYSA-N -1 3 329.787 3.918 20 10 EHCDHM CC(C)Oc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168526223 1125012971 /nfs/dbraw/zinc/01/29/71/1125012971.db2.gz UBUXGGOGOAJETN-UHFFFAOYSA-N -1 3 344.802 3.783 20 10 EHCDHM Nc1cccc2c1C(=O)c1cccc(Nc3ccc([O-])c(F)c3)c1C2=O ZINC001174742137 1132456500 /nfs/dbraw/zinc/45/65/00/1132456500.db2.gz WWWWEDAFQOWISC-UHFFFAOYSA-N -1 3 348.333 3.633 20 10 EHCDHM COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])CCO2 ZINC000768273941 1133120295 /nfs/dbraw/zinc/12/02/95/1133120295.db2.gz BHWRAPRYXIHYFM-QFYYESIMSA-N -1 3 335.350 3.853 20 10 EHCDHM Cc1ccc(-c2cncc(C(=O)NCc3c([O-])cccc3F)c2)cc1 ZINC001178413170 1133167791 /nfs/dbraw/zinc/16/77/91/1133167791.db2.gz NXDNCPUZTUWVPD-UHFFFAOYSA-N -1 3 336.366 3.832 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccnc(C(F)(F)F)c1 ZINC001178758835 1133196329 /nfs/dbraw/zinc/19/63/29/1133196329.db2.gz KJDIQNNDVPPOTQ-UHFFFAOYSA-N -1 3 334.700 3.888 20 10 EHCDHM C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1ccccc1[O-] ZINC001179489124 1133255188 /nfs/dbraw/zinc/25/51/88/1133255188.db2.gz FVLMIOBWLFSFND-SECBINFHSA-N -1 3 340.192 3.850 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(Br)cc2C)c([O-])c1O ZINC000770470022 1133434060 /nfs/dbraw/zinc/43/40/60/1133434060.db2.gz OJASOGCCBDGVCG-UHFFFAOYSA-N -1 3 336.185 3.729 20 10 EHCDHM CCC1(CC)Oc2ccc(NC(=O)c3cccc(O)c3[O-])cc2O1 ZINC000787551746 1134015877 /nfs/dbraw/zinc/01/58/77/1134015877.db2.gz AXTDQXLJWULXRB-UHFFFAOYSA-N -1 3 329.352 3.638 20 10 EHCDHM Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)ccc1Cl ZINC001185530281 1134104707 /nfs/dbraw/zinc/10/47/07/1134104707.db2.gz WZVGBCWWLZWSGX-UHFFFAOYSA-N -1 3 325.817 3.772 20 10 EHCDHM Cc1nc(-c2ccc(CNC(=O)c3cccc(O)c3[O-])s2)cs1 ZINC000790484986 1134424569 /nfs/dbraw/zinc/42/45/69/1134424569.db2.gz XALLAYMCIIFPLC-UHFFFAOYSA-N -1 3 346.433 3.521 20 10 EHCDHM COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])c([O-])c1 ZINC000793386478 1134921364 /nfs/dbraw/zinc/92/13/64/1134921364.db2.gz SEYLBUTZELHHGK-UHFFFAOYSA-N -1 3 328.195 3.703 20 10 EHCDHM COCCN(Cc1cccs1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775644563 1135394346 /nfs/dbraw/zinc/39/43/46/1135394346.db2.gz OLOQCTQELCRTJX-UHFFFAOYSA-N -1 3 329.824 3.895 20 10 EHCDHM C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])N1CCCCCC1 ZINC000807837773 1135580283 /nfs/dbraw/zinc/58/02/83/1135580283.db2.gz CARCWPPVHITMAA-LLVKDONJSA-N -1 3 345.270 3.580 20 10 EHCDHM CC1CCN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)CC1 ZINC000776654579 1136528187 /nfs/dbraw/zinc/52/81/87/1136528187.db2.gz PYBVNELVBJIZRD-UHFFFAOYSA-N -1 3 326.396 3.586 20 10 EHCDHM C[C@@H](NCc1cn2ccsc2n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815567268 1136611685 /nfs/dbraw/zinc/61/16/85/1136611685.db2.gz SKPYTURLPSFHNE-SECBINFHSA-N -1 3 341.358 3.971 20 10 EHCDHM CCn1c(CNCc2cc(Cl)c(F)cc2[O-])nc2ccccc21 ZINC000816569809 1136738221 /nfs/dbraw/zinc/73/82/21/1136738221.db2.gz XLSBSPDZPIZMLN-UHFFFAOYSA-N -1 3 333.794 3.844 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000816615993 1136741563 /nfs/dbraw/zinc/74/15/63/1136741563.db2.gz LNOYLYMJVOTOOW-HOTGVXAUSA-N -1 3 325.811 3.718 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000817058431 1136774385 /nfs/dbraw/zinc/77/43/85/1136774385.db2.gz RBIGZKMUCSLHLS-CYBMUJFWSA-N -1 3 349.839 3.758 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](CC(F)(F)F)C2)c1[O-] ZINC000817281708 1136791298 /nfs/dbraw/zinc/79/12/98/1136791298.db2.gz NTGUQESQUBBGRE-LLVKDONJSA-N -1 3 333.325 3.898 20 10 EHCDHM COC(=O)c1cnc([C@H](C)N[C@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000818357104 1136875624 /nfs/dbraw/zinc/87/56/24/1136875624.db2.gz VPLHUDZFASIJQR-BDAKNGLRSA-N -1 3 340.832 3.701 20 10 EHCDHM O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cccc(O)c1[O-] ZINC001136151422 1136884700 /nfs/dbraw/zinc/88/47/00/1136884700.db2.gz FNQBIVJCDBBMPO-GOSISDBHSA-N -1 3 333.387 3.812 20 10 EHCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000822648027 1137068261 /nfs/dbraw/zinc/06/82/61/1137068261.db2.gz KIYHSWOJQOMLFZ-UHFFFAOYSA-N -1 3 344.430 3.577 20 10 EHCDHM Cc1cc([C@@H]2CCCN2Cc2c([O-])cccc2Br)no1 ZINC000862225050 1137133236 /nfs/dbraw/zinc/13/32/36/1137133236.db2.gz OAJOZEIPOFZGDQ-AWEZNQCLSA-N -1 3 337.217 3.788 20 10 EHCDHM Cc1ccc(N(CC2CC2)C(=O)c2ccc(C)c(O)c2[O-])cc1F ZINC000863601081 1137193627 /nfs/dbraw/zinc/19/36/27/1137193627.db2.gz MXMCCLCGOQYOBL-UHFFFAOYSA-N -1 3 329.371 3.911 20 10 EHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC(C(F)F)CC1 ZINC001144306602 1137270818 /nfs/dbraw/zinc/27/08/18/1137270818.db2.gz IRGMJKZJBNABMA-UHFFFAOYSA-N -1 3 338.167 3.771 20 10 EHCDHM CCOCC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144306899 1137270824 /nfs/dbraw/zinc/27/08/24/1137270824.db2.gz WBXPIZKSCBLILJ-UHFFFAOYSA-N -1 3 346.240 3.542 20 10 EHCDHM O=C(Nc1ccc(N2CCC(F)(F)CC2)cc1)c1cccc(O)c1[O-] ZINC001148218421 1137419874 /nfs/dbraw/zinc/41/98/74/1137419874.db2.gz AZDBEOCQEWYCFQ-UHFFFAOYSA-N -1 3 348.349 3.586 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1ccnn1CC1CC1 ZINC000825940003 1137671197 /nfs/dbraw/zinc/67/11/97/1137671197.db2.gz KHMGLDYNTIKGCO-UHFFFAOYSA-N -1 3 326.227 3.595 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1ccnn1CC1CCC1 ZINC000877529449 1137679702 /nfs/dbraw/zinc/67/97/02/1137679702.db2.gz DQJXKNKDYITHGC-UHFFFAOYSA-N -1 3 340.254 3.985 20 10 EHCDHM [O-]c1c(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)ccc(F)c1F ZINC000877570193 1137681615 /nfs/dbraw/zinc/68/16/15/1137681615.db2.gz DUJFDKWPQNTWQC-LLVKDONJSA-N -1 3 329.268 3.865 20 10 EHCDHM CCN1C(=O)c2ccccc2N[C@H]1c1c([O-])cccc1Br ZINC000877847337 1137693257 /nfs/dbraw/zinc/69/32/57/1137693257.db2.gz WHDQPFFHYHDPSX-OAHLLOKOSA-N -1 3 347.212 3.741 20 10 EHCDHM Cc1cc([O-])c([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)cc1Cl ZINC000877857717 1137693659 /nfs/dbraw/zinc/69/36/59/1137693659.db2.gz YJCCWXXKYHZFSZ-MRXNPFEDSA-N -1 3 336.863 3.753 20 10 EHCDHM C[C@@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1c([O-])cccc1F ZINC000886631676 1138103934 /nfs/dbraw/zinc/10/39/34/1138103934.db2.gz UBYWEJOFXJKQAZ-PBHICJAKSA-N -1 3 339.414 3.899 20 10 EHCDHM C[C@H](Nc1ccc(CCNC(=O)N(C)C)cc1)c1c([O-])cccc1F ZINC000886644531 1138105431 /nfs/dbraw/zinc/10/54/31/1138105431.db2.gz FOQJPVXJKUQIFP-ZDUSSCGKSA-N -1 3 345.418 3.518 20 10 EHCDHM Cc1cc([O-])c(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1Cl ZINC000826534930 1138214554 /nfs/dbraw/zinc/21/45/54/1138214554.db2.gz MZYBDGFKRNBUIJ-SMDDNHRTSA-N -1 3 337.769 3.944 20 10 EHCDHM CC(=O)N1CCCc2cc(NCc3c([O-])cccc3Cl)ccc21 ZINC000128072386 1138379996 /nfs/dbraw/zinc/37/99/96/1138379996.db2.gz WECXJRIPUVYJKA-UHFFFAOYSA-N -1 3 330.815 3.957 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000187178681 1140242883 /nfs/dbraw/zinc/24/28/83/1140242883.db2.gz BVLXYQZNVUEXBE-QGZVFWFLSA-N -1 3 336.391 3.947 20 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3.749 20 10 EHCDHM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000182419968 1125287357 /nfs/dbraw/zinc/28/73/57/1125287357.db2.gz MZSOXYKAZSYUSF-UHFFFAOYSA-N -1 3 331.315 3.520 20 10 EHCDHM CC(C)O[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715796073 1129488979 /nfs/dbraw/zinc/48/89/79/1129488979.db2.gz NYVFHKHROLGRRX-ZDUSSCGKSA-N -1 3 346.240 3.683 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCCc3cccnc32)c1[O-] ZINC000922883607 1129706135 /nfs/dbraw/zinc/70/61/35/1129706135.db2.gz SOCRZDYLGNTUTL-CYBMUJFWSA-N -1 3 333.775 3.516 20 10 EHCDHM COC(=O)CN(Cc1cc(C)ccc1C)Cc1cc(Cl)ccc1[O-] ZINC000731844865 1130849911 /nfs/dbraw/zinc/84/99/11/1130849911.db2.gz KMFBQENSHIAYJK-UHFFFAOYSA-N -1 3 347.842 3.838 20 10 EHCDHM Cc1cccc(-c2cncc(C(=O)NCc3c([O-])cccc3F)c2)c1 ZINC001178413304 1133167150 /nfs/dbraw/zinc/16/71/50/1133167150.db2.gz QCWHCPMGUCOBJR-UHFFFAOYSA-N -1 3 336.366 3.832 20 10 EHCDHM Cc1ccc2cc(Cl)cc(C(=O)NCc3c([O-])cccc3F)c2n1 ZINC001178413354 1133167576 /nfs/dbraw/zinc/16/75/76/1133167576.db2.gz RCCMSJCFGRDRIW-UHFFFAOYSA-N -1 3 344.773 3.971 20 10 EHCDHM Cc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1N1CCNC1=O ZINC000786979520 1133935619 /nfs/dbraw/zinc/93/56/19/1133935619.db2.gz IBPXMCQFXKYFOC-GFCCVEGCSA-N -1 3 329.375 3.542 20 10 EHCDHM COc1c([O-])c(CNc2ccc3sc(C)nc3c2)ccc1[N+](=O)[O-] ZINC000775052278 1134259822 /nfs/dbraw/zinc/25/98/22/1134259822.db2.gz BFHQTBBDOMJVJA-UHFFFAOYSA-N -1 3 345.380 3.839 20 10 EHCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1C(F)(F)F ZINC000790574897 1134442330 /nfs/dbraw/zinc/44/23/30/1134442330.db2.gz UAGKXWGYAAKMKI-VIFPVBQESA-N -1 3 325.286 3.608 20 10 EHCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188419741 1134460665 /nfs/dbraw/zinc/46/06/65/1134460665.db2.gz JCHRDYFMSZBDER-UHFFFAOYSA-N -1 3 343.379 3.999 20 10 EHCDHM C[C@]1(CCc2ccccc2)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790880054 1134474668 /nfs/dbraw/zinc/47/46/68/1134474668.db2.gz YNCBMIUXKJVJGP-FQEVSTJZSA-N -1 3 325.408 3.583 20 10 EHCDHM CCc1ccc([C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000804720981 1135178711 /nfs/dbraw/zinc/17/87/11/1135178711.db2.gz ZIXLCEDZSTUOIL-INIZCTEOSA-N -1 3 325.408 3.680 20 10 EHCDHM COc1ccnc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])c1F ZINC000850537333 1136281638 /nfs/dbraw/zinc/28/16/38/1136281638.db2.gz TVJQSSOQYDKTEO-VIFPVBQESA-N -1 3 344.308 3.805 20 10 EHCDHM COc1cc(CN(C)Cc2cc(Cl)c(F)cc2[O-])cc(OC)c1 ZINC000816489058 1136724293 /nfs/dbraw/zinc/72/42/93/1136724293.db2.gz KSVXFRUPXMAEGM-UHFFFAOYSA-N -1 3 339.794 3.834 20 10 EHCDHM C[C@H]1CN(Cc2ccc3ccccc3c2[O-])C[C@@H](C(F)(F)F)O1 ZINC000816515792 1136729849 /nfs/dbraw/zinc/72/98/49/1136729849.db2.gz KZDSWEDSASHTOF-NHYWBVRUSA-N -1 3 325.330 3.697 20 10 EHCDHM CC(C)[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1nnc2ccccn21 ZINC000816562590 1136737657 /nfs/dbraw/zinc/73/76/57/1136737657.db2.gz RBIBZVDAQZVGFO-MRXNPFEDSA-N -1 3 348.809 3.714 20 10 EHCDHM CC(C)[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1nc(C2CC2)no1 ZINC000816563427 1136737841 /nfs/dbraw/zinc/73/78/41/1136737841.db2.gz XNYRHENRZTUERM-CQSZACIVSA-N -1 3 339.798 3.932 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CNCc1ccn(Cc2ccccc2)n1 ZINC000816603388 1136740554 /nfs/dbraw/zinc/74/05/54/1136740554.db2.gz HIRITSUHJZULKJ-UHFFFAOYSA-N -1 3 345.805 3.719 20 10 EHCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](CO)c3ccccc32)c1 ZINC000816636929 1136743099 /nfs/dbraw/zinc/74/30/99/1136743099.db2.gz MGMLBHUTRBCOBS-CYBMUJFWSA-N -1 3 348.240 3.559 20 10 EHCDHM CCCCc1ccc(NC(=S)NN=c2ncc(Cl)c[n-]2)cc1 ZINC000857203266 1136853782 /nfs/dbraw/zinc/85/37/82/1136853782.db2.gz RBBUHPRINNKPIL-UHFFFAOYSA-N -1 3 335.864 3.786 20 10 EHCDHM CC[C@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cccc(Cl)c1[O-] ZINC000857878521 1136917414 /nfs/dbraw/zinc/91/74/14/1136917414.db2.gz ZQPFEUUUEZHTQK-IRXDYDNUSA-N -1 3 344.842 3.800 20 10 EHCDHM CCCc1nc(C)c(CNCc2c([O-])cccc2Br)o1 ZINC000858169207 1136946175 /nfs/dbraw/zinc/94/61/75/1136946175.db2.gz ZAMRHHZRPPNEHL-UHFFFAOYSA-N -1 3 339.233 3.693 20 10 EHCDHM Cc1cc([C@H]2CCCN2Cc2c([O-])cccc2Br)no1 ZINC000862225052 1137133353 /nfs/dbraw/zinc/13/33/53/1137133353.db2.gz OAJOZEIPOFZGDQ-CQSZACIVSA-N -1 3 337.217 3.788 20 10 EHCDHM CCc1cnc(CN(C)Cc2c([O-])cccc2Br)s1 ZINC000862250284 1137135157 /nfs/dbraw/zinc/13/51/57/1137135157.db2.gz MJOUWLRTFLQHHN-UHFFFAOYSA-N -1 3 341.274 3.806 20 10 EHCDHM CC(C)OC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144299647 1137268713 /nfs/dbraw/zinc/26/87/13/1137268713.db2.gz DUVLHLDMMXYUNM-UHFFFAOYSA-N -1 3 346.240 3.683 20 10 EHCDHM O=c1ccc(NCc2cc(Br)ccc2[O-])cn1C1CCC1 ZINC001171175776 1137284927 /nfs/dbraw/zinc/28/49/27/1137284927.db2.gz DDIOQLPQGGVRRO-UHFFFAOYSA-N -1 3 349.228 3.654 20 10 EHCDHM O=C(Nc1cc(C(F)(F)F)cc2ncccc21)c1cccc(O)c1[O-] ZINC001148219180 1137419858 /nfs/dbraw/zinc/41/98/58/1137419858.db2.gz WAZOEASKXPGCEU-UHFFFAOYSA-N -1 3 348.280 3.917 20 10 EHCDHM C[C@@H](Nc1ccc(N2CCO[C@@H](C)C2)cc1)c1c([O-])cccc1F ZINC000886586366 1138099747 /nfs/dbraw/zinc/09/97/47/1138099747.db2.gz QIJKJGJWFADKDS-UONOGXRCSA-N 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ZINC001599173071 998632192 /nfs/dbraw/zinc/63/21/92/998632192.db2.gz KWXYGDQXRRAASC-ZBEGNZNMSA-N -1 3 349.814 3.782 20 10 EHCDHM [O-]c1cccc(Br)c1CN1CCOc2ccccc2C1 ZINC000707141296 1021269221 /nfs/dbraw/zinc/26/92/21/1021269221.db2.gz YKRUSMLSWFQJBA-UHFFFAOYSA-N -1 3 334.213 3.549 20 10 EHCDHM CCOc1cccc(CNCc2c([O-])cccc2F)c1OC(F)F ZINC000896641117 1025794446 /nfs/dbraw/zinc/79/44/46/1025794446.db2.gz PTLYCDSGTUEDKC-UHFFFAOYSA-N -1 3 341.329 3.821 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(O)(C2CCC2)CC1 ZINC000897034192 1026254217 /nfs/dbraw/zinc/25/42/17/1026254217.db2.gz IYRMXNYTCKAGIW-UHFFFAOYSA-N -1 3 330.255 3.826 20 10 EHCDHM COc1c([O-])c(CNc2c(C)cc(N(C)C)cc2C)ccc1[N+](=O)[O-] ZINC000278515957 1031200194 /nfs/dbraw/zinc/20/01/94/1031200194.db2.gz QUAHOBQPCYLTNX-UHFFFAOYSA-N -1 3 345.399 3.604 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121232691 1034577086 /nfs/dbraw/zinc/57/70/86/1034577086.db2.gz NDHYNAMMDXQWPQ-SNVBAGLBSA-N -1 3 326.227 3.802 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)c1[O-] ZINC000780386121 1035020643 /nfs/dbraw/zinc/02/06/43/1035020643.db2.gz UOPYQBAPFNMPGD-SKDRFNHKSA-N -1 3 333.325 3.897 20 10 EHCDHM C[C@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000363849410 1038681317 /nfs/dbraw/zinc/68/13/17/1038681317.db2.gz GSFVNOQCZDVQLD-ORAYPTAESA-N -1 3 325.387 3.705 20 10 EHCDHM Cc1nc(C)c(-c2csc(NC(=O)c3cccc(O)c3[O-])n2)s1 ZINC000192985870 1040954144 /nfs/dbraw/zinc/95/41/44/1040954144.db2.gz HHOYDWONONAOCK-UHFFFAOYSA-N -1 3 347.421 3.547 20 10 EHCDHM C[C@@H](Nc1ccccc1SCCC(N)=O)c1ccc(F)cc1[O-] ZINC000186442937 1128557379 /nfs/dbraw/zinc/55/73/79/1128557379.db2.gz VFEWRXNYEMGQQE-LLVKDONJSA-N -1 3 334.416 3.672 20 10 EHCDHM CN(Cc1cccc(O)c1)Cc1cc(F)cc(Br)c1[O-] ZINC001235297668 1121454826 /nfs/dbraw/zinc/45/48/26/1121454826.db2.gz OYEPSZFZXRSXOP-UHFFFAOYSA-N -1 3 340.192 3.631 20 10 EHCDHM Cc1nnc(NCc2cc(Cl)c3cccnc3c2[O-])c(C)c1C ZINC001168521410 1122353155 /nfs/dbraw/zinc/35/31/55/1122353155.db2.gz BHEYRICGKAUTCT-UHFFFAOYSA-N -1 3 328.803 3.921 20 10 EHCDHM COc1cccc(N)c1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168523218 1122622348 /nfs/dbraw/zinc/62/23/48/1122622348.db2.gz LWDQAILMTVJAEZ-UHFFFAOYSA-N -1 3 329.787 3.797 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(Oc3ccncc3)cc2)c([O-])c1O ZINC000182261360 1125229714 /nfs/dbraw/zinc/22/97/14/1125229714.db2.gz BSPVAEQZTFYWLR-UHFFFAOYSA-N -1 3 336.347 3.846 20 10 EHCDHM [O-]c1c(F)cc(Br)cc1CNCc1ccccc1F ZINC000715769198 1129349475 /nfs/dbraw/zinc/34/94/75/1129349475.db2.gz JIYLHKAMXHKOEZ-UHFFFAOYSA-N -1 3 328.156 3.723 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC(CCc2ccccc2)CC1 ZINC000186824802 1129851125 /nfs/dbraw/zinc/85/11/25/1129851125.db2.gz BFFCENKIVLMEGQ-UHFFFAOYSA-N -1 3 325.408 3.583 20 10 EHCDHM O=C(Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1)c1ccccc1 ZINC000186958369 1129947057 /nfs/dbraw/zinc/94/70/57/1129947057.db2.gz FEJAOYIMOUXBOO-UHFFFAOYSA-N -1 3 348.358 3.602 20 10 EHCDHM COC(=O)CN(C/C=C\c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000734148642 1131203731 /nfs/dbraw/zinc/20/37/31/1131203731.db2.gz DWKSIWBIQRFKKD-YVMONPNESA-N -1 3 345.826 3.734 20 10 EHCDHM Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000738553035 1131472034 /nfs/dbraw/zinc/47/20/34/1131472034.db2.gz XOVIRGSIGVIVHK-UHFFFAOYSA-N -1 3 338.382 3.869 20 10 EHCDHM Cc1c(C(=O)NCc2c([O-])cccc2F)sc2nccc(C)c12 ZINC001178410877 1133167396 /nfs/dbraw/zinc/16/73/96/1133167396.db2.gz XBFILMROORGHAW-UHFFFAOYSA-N -1 3 330.384 3.688 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)c1ccc(-c2ccc(F)cc2)o1 ZINC001178410032 1133167797 /nfs/dbraw/zinc/16/77/97/1133167797.db2.gz JSMGTPUXYHPTLB-UHFFFAOYSA-N -1 3 329.302 3.860 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCOC2(CCCCC2)C1 ZINC000769493844 1133300174 /nfs/dbraw/zinc/30/01/74/1133300174.db2.gz WXDSIXZHJMHVIH-UHFFFAOYSA-N -1 3 340.261 3.690 20 10 EHCDHM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1cccc(O)c1[O-] ZINC000769724333 1133335975 /nfs/dbraw/zinc/33/59/75/1133335975.db2.gz LPUBKDPECWXOHD-CYBMUJFWSA-N -1 3 339.313 3.830 20 10 EHCDHM CC1(C)CN(CC(F)(F)F)CCN1Cc1ccc(Cl)cc1[O-] ZINC001180612192 1133400078 /nfs/dbraw/zinc/40/00/78/1133400078.db2.gz IKVKLCHYBLTYPQ-UHFFFAOYSA-N -1 3 336.785 3.504 20 10 EHCDHM Cc1cc([O-])ccc1C(=O)n1c(N)c(/N=N/c2ccccc2)ccc1=N ZINC001186166925 1134182331 /nfs/dbraw/zinc/18/23/31/1134182331.db2.gz CCKFIWSZOMUBDH-UKLSTIIHSA-N -1 3 347.378 3.668 20 10 EHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCC(F)(F)C1 ZINC001186889711 1134268178 /nfs/dbraw/zinc/26/81/78/1134268178.db2.gz YQSVSANBAHBCAT-SECBINFHSA-N -1 3 340.757 3.645 20 10 EHCDHM COc1c([O-])c(CN(C)c2ccc(SC)cc2)ccc1[N+](=O)[O-] ZINC000775063765 1134270913 /nfs/dbraw/zinc/27/09/13/1134270913.db2.gz ZYFJFNGWILCAAC-UHFFFAOYSA-N -1 3 334.397 3.667 20 10 EHCDHM CCN(CC)c1ccc(CN(C)[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000790268491 1134391525 /nfs/dbraw/zinc/39/15/25/1134391525.db2.gz RARVOABBGOLREL-HNNXBMFYSA-N -1 3 328.460 3.530 20 10 EHCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000790415777 1134413828 /nfs/dbraw/zinc/41/38/28/1134413828.db2.gz MUIISIVAPUVCNT-UHFFFAOYSA-N -1 3 327.352 3.693 20 10 EHCDHM CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000790935073 1134479975 /nfs/dbraw/zinc/47/99/75/1134479975.db2.gz RAEKQLRXILAERT-INIZCTEOSA-N -1 3 339.435 3.926 20 10 EHCDHM C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1c([O-])ccc(Cl)c1F ZINC000792167399 1134661366 /nfs/dbraw/zinc/66/13/66/1134661366.db2.gz HBYFQOOMIOZOLZ-SNVBAGLBSA-N -1 3 346.830 3.530 20 10 EHCDHM COc1ccsc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001191766328 1134910278 /nfs/dbraw/zinc/91/02/78/1134910278.db2.gz NPEUTSDDVGZOBB-UHFFFAOYSA-N -1 3 348.811 3.594 20 10 EHCDHM CC(C)P(CCNC(=O)c1cc(O)c([O-])c(Cl)c1)C(C)C ZINC001193633762 1135162354 /nfs/dbraw/zinc/16/23/54/1135162354.db2.gz GAPRYWLCKFXULT-UHFFFAOYSA-N -1 3 331.780 3.780 20 10 EHCDHM CCN(CC)c1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000806563607 1135460724 /nfs/dbraw/zinc/46/07/24/1135460724.db2.gz VDSPEUGSTWBSQC-VMPITWQZSA-N -1 3 346.434 3.849 20 10 EHCDHM O=C1NCCCN1c1cc(NCc2c([O-])cccc2Cl)ccc1F ZINC000808427879 1135661171 /nfs/dbraw/zinc/66/11/71/1135661171.db2.gz JLAZPSBIEMSVRC-UHFFFAOYSA-N -1 3 349.793 3.717 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2[C@H]2CCCO2)c1[O-] ZINC001198685309 1135847108 /nfs/dbraw/zinc/84/71/08/1135847108.db2.gz IVEITPHYZNVYJI-DLBZAZTESA-N -1 3 337.847 3.782 20 10 EHCDHM CCc1nn(C)c(Cl)c1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000809776090 1135881670 /nfs/dbraw/zinc/88/16/70/1135881670.db2.gz SZUXMFNVSCDVHF-UHFFFAOYSA-N -1 3 348.661 3.938 20 10 EHCDHM COCCCN(Cc1ccncc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000809740507 1135883630 /nfs/dbraw/zinc/88/36/30/1135883630.db2.gz BLDFJZKZGWMAJP-UHFFFAOYSA-N -1 3 338.810 3.618 20 10 EHCDHM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000776347831 1136161067 /nfs/dbraw/zinc/16/10/67/1136161067.db2.gz HCRKQWLSXPQCOJ-DOMZBBRYSA-N -1 3 329.396 3.867 20 10 EHCDHM C[C@@H](Oc1ccccc1NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000813838104 1136369095 /nfs/dbraw/zinc/36/90/95/1136369095.db2.gz ARBYUMOJOLGWAG-SECBINFHSA-N -1 3 341.285 3.680 20 10 EHCDHM CN(Cc1ccccc1O)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000110223954 1136409677 /nfs/dbraw/zinc/40/96/77/1136409677.db2.gz IBGOPIRPIHZJIK-UHFFFAOYSA-N -1 3 347.414 3.961 20 10 EHCDHM CN(c1ccccc1NC(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000776673488 1136529083 /nfs/dbraw/zinc/52/90/83/1136529083.db2.gz JAJAEJFMLVIGFM-UHFFFAOYSA-N -1 3 326.396 3.729 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000817058432 1136774186 /nfs/dbraw/zinc/77/41/86/1136774186.db2.gz RBIGZKMUCSLHLS-ZDUSSCGKSA-N -1 3 349.839 3.758 20 10 EHCDHM O=c1ccnc(C=Cc2ccc3c(c2)CCN3Cc2ccccc2)[n-]1 ZINC000794701733 1137236151 /nfs/dbraw/zinc/23/61/51/1137236151.db2.gz NVMJNNYAKOSHMB-VQHVLOKHSA-N -1 3 329.403 3.915 20 10 EHCDHM CN(Cc1cccc(O)c1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298661 1137268575 /nfs/dbraw/zinc/26/85/75/1137268575.db2.gz IAPOVYXNQPLDST-UHFFFAOYSA-N -1 3 340.192 3.631 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000846110071 1137333114 /nfs/dbraw/zinc/33/31/14/1137333114.db2.gz YUHFJPPEBDSHMA-CYBMUJFWSA-N -1 3 332.734 3.575 20 10 EHCDHM C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000846364271 1137348921 /nfs/dbraw/zinc/34/89/21/1137348921.db2.gz RDXYVUBGZAJTBY-IBGZPJMESA-N -1 3 345.826 3.989 20 10 EHCDHM O=C(NC1c2ccccc2Oc2ccccc21)c1cccc(O)c1[O-] ZINC001148224069 1137419938 /nfs/dbraw/zinc/41/99/38/1137419938.db2.gz BIFKSPWLGTZJIC-UHFFFAOYSA-N -1 3 333.343 3.723 20 10 EHCDHM [O-]c1cc(Br)ccc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000825883589 1137655021 /nfs/dbraw/zinc/65/50/21/1137655021.db2.gz XZWPBGUXLMJDKL-CQSZACIVSA-N -1 3 336.233 3.605 20 10 EHCDHM CC1(C)CN(Cc2ccc(Br)cc2[O-])[C@H]1[C@@H]1CCCO1 ZINC000825943724 1137671922 /nfs/dbraw/zinc/67/19/22/1137671922.db2.gz JAIFXSHDWUAWGQ-GJZGRUSLSA-N -1 3 340.261 3.544 20 10 EHCDHM O=C1C[C@]2(CCN(Cc3cccc(Cl)c3[O-])C2)Oc2ccccc21 ZINC000877589210 1137682204 /nfs/dbraw/zinc/68/22/04/1137682204.db2.gz JIGGDCOOTOOOTH-IBGZPJMESA-N -1 3 343.810 3.656 20 10 EHCDHM COCCOC(=O)Nc1cccc(N[C@H](C)c2c([O-])cccc2F)c1 ZINC000886568147 1138098218 /nfs/dbraw/zinc/09/82/18/1138098218.db2.gz BVWJGDYGYZDNGS-GFCCVEGCSA-N -1 3 348.374 3.899 20 10 EHCDHM Cc1ccc(N[C@@H](C)c2c([O-])cccc2F)cc1N1CCOC1=O ZINC000886581710 1138099117 /nfs/dbraw/zinc/09/91/17/1138099117.db2.gz KXYXXKLNYGIMAR-LBPRGKRZSA-N -1 3 330.359 3.969 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000091081360 1138216022 /nfs/dbraw/zinc/21/60/22/1138216022.db2.gz ZSGGIKXOYXUYLS-MRXNPFEDSA-N -1 3 347.846 3.925 20 10 EHCDHM CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000186291572 1140196860 /nfs/dbraw/zinc/19/68/60/1140196860.db2.gz GFFRHRZPISGVTB-RYUDHWBXSA-N -1 3 332.375 3.678 20 10 EHCDHM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)o1 ZINC000186919491 1140228281 /nfs/dbraw/zinc/22/82/81/1140228281.db2.gz RWIWJBJAESTCRS-IAQYHMDHSA-N -1 3 327.380 3.619 20 10 EHCDHM Cc1oc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1C(=O)[O-] ZINC000738980245 600318641 /nfs/dbraw/zinc/31/86/41/600318641.db2.gz QGGOUWFLGFRMSS-UHFFFAOYSA-N -1 3 329.396 3.937 20 10 EHCDHM Cc1oc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1C(=O)[O-] ZINC000738980245 600318646 /nfs/dbraw/zinc/31/86/46/600318646.db2.gz QGGOUWFLGFRMSS-UHFFFAOYSA-N -1 3 329.396 3.937 20 10 EHCDHM CCC[N@H+](Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1ccccc1[O-] ZINC001595890766 982922370 /nfs/dbraw/zinc/92/23/70/982922370.db2.gz CTWGFSURTPHDNP-UHFFFAOYSA-N -1 3 328.412 3.708 20 10 EHCDHM CCC[N@@H+](Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1ccccc1[O-] ZINC001595890766 982922373 /nfs/dbraw/zinc/92/23/73/982922373.db2.gz CTWGFSURTPHDNP-UHFFFAOYSA-N -1 3 328.412 3.708 20 10 EHCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC001593195023 994143843 /nfs/dbraw/zinc/14/38/43/994143843.db2.gz CAROWDOGHKEDHG-GNWWPAOBSA-N -1 3 341.407 3.694 20 10 EHCDHM C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593198971 994176929 /nfs/dbraw/zinc/17/69/29/994176929.db2.gz WGDVNQFXKVRUIZ-QWHCGFSZSA-N -1 3 341.407 3.827 20 10 EHCDHM C[C@@H]([NH2+]CCCCN(C)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593264334 994565220 /nfs/dbraw/zinc/56/52/20/994565220.db2.gz HNDQVXFYBPWADB-OAHLLOKOSA-N -1 3 342.439 3.658 20 10 EHCDHM C[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274981 994627677 /nfs/dbraw/zinc/62/76/77/994627677.db2.gz POVMWSJYWSZWOV-CYBMUJFWSA-N -1 3 336.391 3.532 20 10 EHCDHM CCSCc1cccnc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000895689128 1024723419 /nfs/dbraw/zinc/72/34/19/1024723419.db2.gz UYYDHUSQVZJUCB-UHFFFAOYSA-N -1 3 349.412 3.569 20 10 EHCDHM COc1ccccc1OC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527592 1033276911 /nfs/dbraw/zinc/27/69/11/1033276911.db2.gz ZYTRQPFYXACWFJ-UHFFFAOYSA-N -1 3 349.377 3.722 20 10 EHCDHM [O-]c1c(Cl)cccc1CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000529670297 1034398016 /nfs/dbraw/zinc/39/80/16/1034398016.db2.gz RVCFKMPAUAGLRP-UHFFFAOYSA-N -1 3 341.842 3.849 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000376024724 1035139982 /nfs/dbraw/zinc/13/99/82/1035139982.db2.gz RJKMCWIFWYDTJD-KRWDZBQOSA-N -1 3 347.361 3.800 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)Nc1csnc1-c1ccccc1 ZINC001671002104 1128429530 /nfs/dbraw/zinc/42/95/30/1128429530.db2.gz TZEVUXOQXIEQIU-UHFFFAOYSA-N -1 3 343.383 3.977 20 10 EHCDHM CSc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1Cl ZINC000766363932 1132522900 /nfs/dbraw/zinc/52/29/00/1132522900.db2.gz YXSOEGRQQFCDSN-UHFFFAOYSA-N -1 3 343.857 3.877 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)c1cc(-c2cccc(Cl)c2)no1 ZINC001178412556 1133167294 /nfs/dbraw/zinc/16/72/94/1133167294.db2.gz ADPOBUVXVBBGGY-UHFFFAOYSA-N -1 3 346.745 3.770 20 10 EHCDHM [O-]c1cc(F)c(F)cc1CN1CCN(C/C=C\c2ccccc2)CC1 ZINC001180042724 1133320521 /nfs/dbraw/zinc/32/05/21/1133320521.db2.gz IIAFFWRNWJEONR-DAXSKMNVSA-N -1 3 344.405 3.501 20 10 EHCDHM CCCN(CC(=O)OC(C)(C)C)Cc1c([O-])cc(C)cc1Cl ZINC001180674585 1133406294 /nfs/dbraw/zinc/40/62/94/1133406294.db2.gz VQRXACFWKOPOFZ-UHFFFAOYSA-N -1 3 327.852 3.908 20 10 EHCDHM CCN(CC)C(=O)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001180866031 1133422316 /nfs/dbraw/zinc/42/23/16/1133422316.db2.gz XVPVAFPYAVJALI-UHFFFAOYSA-N -1 3 334.366 3.765 20 10 EHCDHM Cc1cc([O-])c(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1Cl ZINC001181972232 1133562614 /nfs/dbraw/zinc/56/26/14/1133562614.db2.gz QWHBTNVFYFUMOO-CYBMUJFWSA-N -1 3 337.769 3.896 20 10 EHCDHM COc1cc(CNCc2cccc(Cl)c2[O-])c(Cl)cc1O ZINC001184264527 1133917546 /nfs/dbraw/zinc/91/75/46/1133917546.db2.gz DVOSLYJDPZAQBE-UHFFFAOYSA-N -1 3 328.195 3.703 20 10 EHCDHM COc1c([O-])c(CNc2ccc3ncsc3c2)ccc1[N+](=O)[O-] ZINC000775050234 1134255301 /nfs/dbraw/zinc/25/53/01/1134255301.db2.gz GEEIFKMAVUWXST-UHFFFAOYSA-N -1 3 331.353 3.531 20 10 EHCDHM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cccc(O)c1[O-] ZINC000790485013 1134424204 /nfs/dbraw/zinc/42/42/04/1134424204.db2.gz HSSAHIWUKZNEEE-GFCCVEGCSA-N -1 3 335.812 3.718 20 10 EHCDHM CN(C)c1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1F ZINC000792102169 1134650145 /nfs/dbraw/zinc/65/01/45/1134650145.db2.gz CFXAOUTWHFKWJI-UHFFFAOYSA-N -1 3 338.382 3.681 20 10 EHCDHM Cc1cc(-c2ccc([O-])c(CN3CCOCC3)c2)nc2sccc21 ZINC000793681589 1134981397 /nfs/dbraw/zinc/98/13/97/1134981397.db2.gz XTHCNUSSTIHRGB-UHFFFAOYSA-N -1 3 340.448 3.810 20 10 EHCDHM O=C(Nc1ccc2nc(C(F)F)sc2c1)c1cccc(O)c1[O-] ZINC000804721698 1135179042 /nfs/dbraw/zinc/17/90/42/1135179042.db2.gz KMZCTRIJNCIBFP-UHFFFAOYSA-N -1 3 336.319 3.897 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2cccnc2)c1[O-] ZINC000805747005 1135317707 /nfs/dbraw/zinc/31/77/07/1135317707.db2.gz PHLKUCSZMRLOHM-QGZVFWFLSA-N -1 3 330.815 3.980 20 10 EHCDHM O=[N+]([O-])c1cc(CNCc2cc(Cl)cc(Cl)c2[O-])cs1 ZINC000809776133 1135881596 /nfs/dbraw/zinc/88/15/96/1135881596.db2.gz VYQLKLZVPZPGHO-UHFFFAOYSA-N -1 3 333.196 3.959 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(CC(F)(F)F)cc1 ZINC001201003798 1135976335 /nfs/dbraw/zinc/97/63/35/1135976335.db2.gz HZQXOZZNOXAAAL-UHFFFAOYSA-N -1 3 342.292 3.958 20 10 EHCDHM COCCc1nc2cc(NCc3c([O-])cccc3Cl)ccc2o1 ZINC000776232524 1136086974 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[O-]c1ccc(Cl)cc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC000816668352 1136744575 /nfs/dbraw/zinc/74/45/75/1136744575.db2.gz MENPTFSJZIFACC-UHFFFAOYSA-N -1 3 325.799 3.747 20 10 EHCDHM C[C@H](NCc1cc(Br)cc(F)c1[O-])c1ccns1 ZINC000715745052 1137477745 /nfs/dbraw/zinc/47/77/45/1137477745.db2.gz JMYJZWJAZNJQTH-ZETCQYMHSA-N -1 3 331.210 3.601 20 10 EHCDHM CCn1nc(C)c(CN(C)Cc2cc(Cl)cc(F)c2[O-])c1C ZINC000877663609 1137684846 /nfs/dbraw/zinc/68/48/46/1137684846.db2.gz DFGRHLJBBTXFOX-UHFFFAOYSA-N -1 3 325.815 3.650 20 10 EHCDHM C[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1c([O-])cccc1F ZINC000886505012 1138085314 /nfs/dbraw/zinc/08/53/14/1138085314.db2.gz DVYULMFJNVMSGI-YOEHRIQHSA-N -1 3 342.414 3.546 20 10 EHCDHM COCCOc1cc(N[C@H](C)c2c([O-])cccc2F)ccc1OC ZINC000886565884 1138098041 /nfs/dbraw/zinc/09/80/41/1138098041.db2.gz BTDKZDWXEMXUHA-GFCCVEGCSA-N -1 3 335.375 3.738 20 10 EHCDHM CC(C)(C)OC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000092454147 1138228220 /nfs/dbraw/zinc/22/82/20/1138228220.db2.gz 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CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599063433 999282414 /nfs/dbraw/zinc/28/24/14/999282414.db2.gz JTLDDGDTHDFBTA-FMTVUPSXSA-N -1 3 347.386 3.656 20 10 EHCDHM C[C@H](N[C@@H](c1nccn1C)c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000184960050 1032346736 /nfs/dbraw/zinc/34/67/36/1032346736.db2.gz SYTSDRNKVRGCSC-KPZWWZAWSA-N -1 3 343.377 3.844 20 10 EHCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000078005184 1018946614 /nfs/dbraw/zinc/94/66/14/1018946614.db2.gz LDGDGKZOXSQPKG-UHFFFAOYSA-N -1 3 332.208 3.808 20 10 EHCDHM C[C@@H](c1cccnc1)N(C)Cc1cc(Br)cc(F)c1[O-] ZINC000894448308 1022296510 /nfs/dbraw/zinc/29/65/10/1022296510.db2.gz FMKGTWVLSZTCKV-JTQLQIEISA-N -1 3 339.208 3.882 20 10 EHCDHM Cc1ccc(CN(C)Cc2cc(Br)cc(F)c2[O-])nc1 ZINC000894540456 1022511620 /nfs/dbraw/zinc/51/16/20/1022511620.db2.gz JJOLTAGCWGTONT-UHFFFAOYSA-N -1 3 339.208 3.629 20 10 EHCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H](Sc2ccncc2)C1 ZINC001142524725 1033213789 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Cc1ccc(CN(Cc2ccco2)C(=O)c2cccc(O)c2[O-])s1 ZINC000188296133 1039909830 /nfs/dbraw/zinc/90/98/30/1039909830.db2.gz ICDUFSZPHXIJQK-UHFFFAOYSA-N -1 3 343.404 3.903 20 10 EHCDHM COc1c([O-])c(CNc2ccccc2N2CCCC2)ccc1[N+](=O)[O-] ZINC000278876264 1042804754 /nfs/dbraw/zinc/80/47/54/1042804754.db2.gz NKAKZBKOQQMVHZ-UHFFFAOYSA-N -1 3 343.383 3.521 20 10 EHCDHM COc1c([O-])c(CNc2ccc(N3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000278907832 1042904034 /nfs/dbraw/zinc/90/40/34/1042904034.db2.gz SCXHTEMJHJIHJT-UHFFFAOYSA-N -1 3 343.383 3.521 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2cccc(Cl)c2)CC1 ZINC000279822913 1044698968 /nfs/dbraw/zinc/69/89/68/1044698968.db2.gz AFZZAJOSEOIBPH-UHFFFAOYSA-N -1 3 331.799 3.771 20 10 EHCDHM CCc1nc(NCc2cc(Cl)c3cccnc3c2[O-])ncc1F ZINC001168527443 1126820131 /nfs/dbraw/zinc/82/01/31/1126820131.db2.gz IFRUYDOKDMZQHO-UHFFFAOYSA-N -1 3 332.766 3.697 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)c([O-])c1O ZINC000182500068 1125316730 /nfs/dbraw/zinc/31/67/30/1125316730.db2.gz ABIMZWMPNGVRNA-UHFFFAOYSA-N -1 3 325.286 3.763 20 10 EHCDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c3nonc3ccc2Cl)c1C ZINC001128704351 1130078075 /nfs/dbraw/zinc/07/80/75/1130078075.db2.gz HKHDBLSFXVPMLZ-UHFFFAOYSA-N -1 3 346.730 3.654 20 10 EHCDHM CC(C)[C@H]1CN(Cc2cccc(Br)c2[O-])CCS1 ZINC000769549099 1133313559 /nfs/dbraw/zinc/31/35/59/1133313559.db2.gz KQBGRVDQWJJCIQ-CYBMUJFWSA-N -1 3 330.291 3.728 20 10 EHCDHM COc1c([O-])c(CN(Cc2ccccc2F)C2CC2)ccc1[N+](=O)[O-] ZINC000774821566 1134031716 /nfs/dbraw/zinc/03/17/16/1134031716.db2.gz SEPJZEKETBTNGM-UHFFFAOYSA-N -1 3 346.358 3.613 20 10 EHCDHM COc1cccc2c1CN(Cc1cc(Br)ccc1[O-])CC2 ZINC001203636025 1134198798 /nfs/dbraw/zinc/19/87/98/1134198798.db2.gz NGQZOMVRVQERPM-UHFFFAOYSA-N -1 3 348.240 3.722 20 10 EHCDHM COc1c([O-])c(CNc2ccc(C)c3ncccc23)ccc1[N+](=O)[O-] ZINC000775050027 1134255331 /nfs/dbraw/zinc/25/53/31/1134255331.db2.gz BAWJXYWLFMWVAD-UHFFFAOYSA-N -1 3 339.351 3.778 20 10 EHCDHM COc1ccc([C@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2)cc1 ZINC000790511299 1134429281 /nfs/dbraw/zinc/42/92/81/1134429281.db2.gz DKWWMHUKEIUAKY-LJQANCHMSA-N -1 3 349.386 3.626 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](CCCc2ccccc2)C1 ZINC000790902609 1134480484 /nfs/dbraw/zinc/48/04/84/1134480484.db2.gz YHRFNRLQSZYPMS-KRWDZBQOSA-N -1 3 339.435 3.973 20 10 EHCDHM C[C@H]1CC[C@H](NC(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001191837530 1134933370 /nfs/dbraw/zinc/93/33/70/1134933370.db2.gz YNVUXAGTDBJRCN-AULYBMBSSA-N -1 3 347.846 3.972 20 10 EHCDHM C[C@@H](NCc1ccn(Cc2ccccc2)n1)c1cc(F)cc(F)c1[O-] ZINC000793574523 1134960212 /nfs/dbraw/zinc/96/02/12/1134960212.db2.gz ZMXRENWYXRXZJM-CYBMUJFWSA-N -1 3 343.377 3.766 20 10 EHCDHM CC[C@@H](NCc1cc(C(N)=O)co1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806159664 1135404467 /nfs/dbraw/zinc/40/44/67/1135404467.db2.gz BCZDBUPPUHZPDX-CYBMUJFWSA-N -1 3 343.210 3.632 20 10 EHCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1OC(F)F ZINC000776334353 1136158570 /nfs/dbraw/zinc/15/85/70/1136158570.db2.gz XSASBVJYRBAJSN-GFCCVEGCSA-N -1 3 337.322 3.580 20 10 EHCDHM COCc1cc(NCc2c([O-])cccc2Cl)cc(C(=O)OC)c1 ZINC000814176667 1136411546 /nfs/dbraw/zinc/41/15/46/1136411546.db2.gz SFHMCRRGAQGBKP-UHFFFAOYSA-N -1 3 335.787 3.591 20 10 EHCDHM C[C@H](NCc1cn2ccccc2n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815555442 1136609818 /nfs/dbraw/zinc/60/98/18/1136609818.db2.gz ZPZPYMXAUDWWAJ-NSHDSACASA-N -1 3 335.329 3.910 20 10 EHCDHM CN(Cc1cnn(-c2ccccc2)n1)Cc1ccc2ccccc2c1[O-] ZINC000816491489 1136724757 /nfs/dbraw/zinc/72/47/57/1136724757.db2.gz NSCIFCYUMXFNCH-UHFFFAOYSA-N -1 3 344.418 3.758 20 10 EHCDHM COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1cccc(O)c1[O-] ZINC000817687504 1136832299 /nfs/dbraw/zinc/83/22/99/1136832299.db2.gz IQMYWFAKXNATST-CQSZACIVSA-N -1 3 341.407 3.582 20 10 EHCDHM CCc1cccc(CC)c1NC(=S)NN=c1ncc(Cl)c[n-]1 ZINC000857201812 1136853303 /nfs/dbraw/zinc/85/33/03/1136853303.db2.gz DNJGGFJDCIZMNR-UHFFFAOYSA-N -1 3 335.864 3.568 20 10 EHCDHM O=C(NCc1cc(Cl)ccc1O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857548017 1136882754 /nfs/dbraw/zinc/88/27/54/1136882754.db2.gz AJBXWJGHXNHHEY-UHFFFAOYSA-N -1 3 345.704 3.700 20 10 EHCDHM [O-]c1cccc(Br)c1CN(Cc1cccnc1)C1CC1 ZINC000862368485 1137140584 /nfs/dbraw/zinc/14/05/84/1137140584.db2.gz HVOOQMRTIIPHOI-UHFFFAOYSA-N -1 3 333.229 3.714 20 10 EHCDHM COc1ccccc1[C@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000865822002 1137314249 /nfs/dbraw/zinc/31/42/49/1137314249.db2.gz USKBBDYPUYHTED-JTQLQIEISA-N -1 3 336.775 3.813 20 10 EHCDHM C[C@H](O)[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccc1F ZINC000846015660 1137325958 /nfs/dbraw/zinc/32/59/58/1137325958.db2.gz ZDDAFBYDQAOXNI-XXFAHNHDSA-N -1 3 327.758 3.536 20 10 EHCDHM O=C(Nc1c[nH]c2ccc(Br)cc12)c1cccc(O)c1[O-] ZINC001148212179 1137419699 /nfs/dbraw/zinc/41/96/99/1137419699.db2.gz PVRVHMDLVGTMMU-UHFFFAOYSA-N -1 3 347.168 3.594 20 10 EHCDHM O=C(NCc1cccc(-c2ccc(F)cc2)c1)c1cccc(O)c1[O-] ZINC001148224105 1137419919 /nfs/dbraw/zinc/41/99/19/1137419919.db2.gz BZQYEYZEGJYRNG-UHFFFAOYSA-N -1 3 337.350 3.834 20 10 EHCDHM Cc1cc(C(=O)Nc2cccc([O-])c2F)c(C)n1-c1ccccn1 ZINC000128232004 1137769016 /nfs/dbraw/zinc/76/90/16/1137769016.db2.gz WEEHYTJRYVLCBX-UHFFFAOYSA-N -1 3 325.343 3.586 20 10 EHCDHM C[C@H](Nc1cccc([C@@]2(C)COC(=O)N2)c1)c1ccc(F)cc1[O-] ZINC000883329639 1137855325 /nfs/dbraw/zinc/85/53/25/1137855325.db2.gz OSZFOXXKQUBEQR-BBATYDOGSA-N -1 3 330.359 3.659 20 10 EHCDHM COc1ccc(OC(F)F)c(CN[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886538772 1138092820 /nfs/dbraw/zinc/09/28/20/1138092820.db2.gz NRQDONUBTOBFRJ-JTQLQIEISA-N -1 3 341.329 3.992 20 10 EHCDHM Cc1ccc(N2CCOCC2)cc1N[C@H](C)c1c([O-])cccc1F ZINC000886605114 1138101056 /nfs/dbraw/zinc/10/10/56/1138101056.db2.gz JSXMQDLDBRTGNA-CQSZACIVSA-N -1 3 330.403 3.849 20 10 EHCDHM CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000186291591 1140196744 /nfs/dbraw/zinc/19/67/44/1140196744.db2.gz GFFRHRZPISGVTB-NEPJUHHUSA-N -1 3 332.375 3.678 20 10 EHCDHM COC(=O)N(C)Cc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000186313902 1140197429 /nfs/dbraw/zinc/19/74/29/1140197429.db2.gz ZFAZQEVMAKNOSH-LBPRGKRZSA-N -1 3 332.375 3.903 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@H]3CCCO3)CC2)c1[O-] ZINC000189241410 1140329255 /nfs/dbraw/zinc/32/92/55/1140329255.db2.gz HGNIXXTVEVOFMF-QGZVFWFLSA-N -1 3 337.847 3.639 20 10 EHCDHM Cc1nnc([C@@H](C)N[C@H](C)c2cc(Br)ccc2[O-])s1 ZINC000274285392 1141493269 /nfs/dbraw/zinc/49/32/69/1141493269.db2.gz ZEQGBBGGJMXSMM-HTQZYQBOSA-N -1 3 342.262 3.726 20 10 EHCDHM C[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830859845 602042058 /nfs/dbraw/zinc/04/20/58/602042058.db2.gz MHCPIRIGDUZJAJ-OAHLLOKOSA-N -1 3 340.206 3.957 20 10 EHCDHM C[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830859845 602042059 /nfs/dbraw/zinc/04/20/59/602042059.db2.gz MHCPIRIGDUZJAJ-OAHLLOKOSA-N -1 3 340.206 3.957 20 10 EHCDHM CC(C)(C)c1cnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819965449 607120059 /nfs/dbraw/zinc/12/00/59/607120059.db2.gz HGJBMOHAOQIOKU-UHFFFAOYSA-N -1 3 331.470 3.913 20 10 EHCDHM CC(C)(C)c1cnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819965449 607120061 /nfs/dbraw/zinc/12/00/61/607120061.db2.gz HGJBMOHAOQIOKU-UHFFFAOYSA-N -1 3 331.470 3.913 20 10 EHCDHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1C ZINC001595961137 983156860 /nfs/dbraw/zinc/15/68/60/983156860.db2.gz UDZYPDKTDYYGAV-IBGZPJMESA-N -1 3 343.423 3.708 20 10 EHCDHM C[C@@H]([NH2+][C@@H]1CCCc2c(F)cccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219044 994294478 /nfs/dbraw/zinc/29/44/78/994294478.db2.gz LRVNWYBLVLYRBW-PIGZYNQJSA-N -1 3 329.371 3.958 20 10 EHCDHM CC(C)n1ncc2c1nc(Cl)nc2NCc1c([O-])cccc1F ZINC000895832871 1024898338 /nfs/dbraw/zinc/89/83/38/1024898338.db2.gz PBEZSLYJFNBMMJ-UHFFFAOYSA-N -1 3 335.770 3.517 20 10 EHCDHM COc1c([O-])c(CN(C)Cc2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000278238678 1029771313 /nfs/dbraw/zinc/77/13/13/1029771313.db2.gz NPDCYXPSXCCTOM-UHFFFAOYSA-N -1 3 342.804 3.656 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)c([O-])c1O ZINC000780943519 1031421900 /nfs/dbraw/zinc/42/19/00/1031421900.db2.gz GPRBLKVVBGVXIA-UHFFFAOYSA-N -1 3 325.368 3.589 20 10 EHCDHM CCc1cc(Br)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000126182275 1040603075 /nfs/dbraw/zinc/60/30/75/1040603075.db2.gz VESJZONVFZYZSJ-UHFFFAOYSA-N -1 3 336.185 3.675 20 10 EHCDHM C[C@H](c1ccsc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000765718888 1127737752 /nfs/dbraw/zinc/73/77/52/1127737752.db2.gz LQPAWCRLPMJVIB-CYBMUJFWSA-N -1 3 336.888 3.986 20 10 EHCDHM O=[N+]([O-])c1cccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168521441 1122353410 /nfs/dbraw/zinc/35/34/10/1122353410.db2.gz BZHLWCWRBLWXTN-UHFFFAOYSA-N -1 3 330.731 3.509 20 10 EHCDHM Cc1ccc(C(=O)Nc2cccc(Oc3ccncc3)c2)c([O-])c1O ZINC000179493901 1123783704 /nfs/dbraw/zinc/78/37/04/1123783704.db2.gz ZXGWSLYUQKRUPV-UHFFFAOYSA-N -1 3 336.347 3.846 20 10 EHCDHM [O-]c1ccc(Br)cc1CN1CCO[C@H](c2ccccc2)C1 ZINC000768235583 1133116593 /nfs/dbraw/zinc/11/65/93/1133116593.db2.gz AIHXAJPKULXMHQ-KRWDZBQOSA-N -1 3 348.240 3.728 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2nc3ccccc3n2C)c1 ZINC001179437178 1133251098 /nfs/dbraw/zinc/25/10/98/1133251098.db2.gz BROWBZBBHWPCKC-UHFFFAOYSA-N -1 3 346.228 3.962 20 10 EHCDHM CN(Cc1cc(Br)cn1C)Cc1c([O-])cccc1Cl ZINC000770322004 1133410468 /nfs/dbraw/zinc/41/04/68/1133410468.db2.gz CGQAUWYDFRAOPD-UHFFFAOYSA-N -1 3 343.652 3.779 20 10 EHCDHM COc1ccc2c(c1)C1(CC1)CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001182142228 1133577867 /nfs/dbraw/zinc/57/78/67/1133577867.db2.gz YAUMVEQMIKEMNX-UHFFFAOYSA-N -1 3 331.362 3.726 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC2(C[C@H](F)CO2)CC1 ZINC001203581884 1133888738 /nfs/dbraw/zinc/88/87/38/1133888738.db2.gz CBKCORLLJVVTQN-LBPRGKRZSA-N -1 3 334.218 3.792 20 10 EHCDHM COc1c([O-])c(CNc2cccc(CSC)c2)ccc1[N+](=O)[O-] ZINC000774938411 1134138042 /nfs/dbraw/zinc/13/80/42/1134138042.db2.gz XUGHNRRVOYFYRD-UHFFFAOYSA-N -1 3 334.397 3.784 20 10 EHCDHM CCOc1cccc2cc([C@@H](C)NC(=O)c3cccc(O)c3[O-])oc21 ZINC000790483158 1134423834 /nfs/dbraw/zinc/42/38/34/1134423834.db2.gz BBTFGUKUUOYFPS-LLVKDONJSA-N -1 3 341.363 3.734 20 10 EHCDHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c(C)c1 ZINC000775292212 1134615927 /nfs/dbraw/zinc/61/59/27/1134615927.db2.gz VYGGOQZOQVCYPA-UHFFFAOYSA-N -1 3 349.452 3.825 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(Oc3cccnc3)cc2)c([O-])c1O ZINC000813872467 1136370455 /nfs/dbraw/zinc/37/04/55/1136370455.db2.gz GXQCVAOFVXLNJT-UHFFFAOYSA-N -1 3 336.347 3.846 20 10 EHCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000854952681 1136656555 /nfs/dbraw/zinc/65/65/55/1136656555.db2.gz MIWMUDAODBWIDN-WBVHZDCISA-N -1 3 325.408 3.896 20 10 EHCDHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1cn(-c2ccccc2)nn1 ZINC000816556667 1136736590 /nfs/dbraw/zinc/73/65/90/1136736590.db2.gz RCDHSQDSVFHRKU-LLVKDONJSA-N -1 3 346.793 3.616 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H]1COc2cc(F)cc(F)c21 ZINC000816569001 1136738231 /nfs/dbraw/zinc/73/82/31/1136738231.db2.gz WBDBVINRGGFWNU-LBPRGKRZSA-N -1 3 329.705 3.686 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000816615995 1136741422 /nfs/dbraw/zinc/74/14/22/1136741422.db2.gz LNOYLYMJVOTOOW-JKSUJKDBSA-N -1 3 325.811 3.718 20 10 EHCDHM COC[C@H](NCc1c([O-])cccc1Br)c1ccc(C)o1 ZINC000858147894 1136944135 /nfs/dbraw/zinc/94/41/35/1136944135.db2.gz CXZABJHHQVZGOR-ZDUSSCGKSA-N -1 3 340.217 3.533 20 10 EHCDHM [O-]c1cccc(Br)c1CN1CCO[C@H](c2ccccc2)C1 ZINC000862216044 1137132725 /nfs/dbraw/zinc/13/27/25/1137132725.db2.gz QNNAKATYSJMKRT-KRWDZBQOSA-N -1 3 348.240 3.728 20 10 EHCDHM CCN(Cc1nc(C)c(C)[nH]1)Cc1cc(Br)ccc1[O-] ZINC000862250291 1137135388 /nfs/dbraw/zinc/13/53/88/1137135388.db2.gz HDEOSJRXJDQPQM-UHFFFAOYSA-N -1 3 338.249 3.517 20 10 EHCDHM Cc1cc([C@@H]2CCCN2Cc2ccc(Br)cc2[O-])no1 ZINC000824576002 1137143354 /nfs/dbraw/zinc/14/33/54/1137143354.db2.gz WXFQONASTDWSDE-AWEZNQCLSA-N -1 3 337.217 3.788 20 10 EHCDHM CN(C)Cc1cc(NCc2ccc(F)c(F)c2[O-])ccc1Cl ZINC000864035650 1137212646 /nfs/dbraw/zinc/21/26/46/1137212646.db2.gz DHIHYEMZOVMSBZ-UHFFFAOYSA-N -1 3 326.774 3.998 20 10 EHCDHM [O-]c1c(CN2CCC3(CC2)C(F)(F)C3(F)F)ccc(F)c1F ZINC000864051317 1137213363 /nfs/dbraw/zinc/21/33/63/1137213363.db2.gz GOEBTCUZKJMDTH-UHFFFAOYSA-N -1 3 325.252 3.537 20 10 EHCDHM C[C@H](O)[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccc1F ZINC000846015654 1137326149 /nfs/dbraw/zinc/32/61/49/1137326149.db2.gz ZDDAFBYDQAOXNI-FVMDXXJSSA-N -1 3 327.758 3.536 20 10 EHCDHM C[C@@H](O)[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccc1F ZINC000846182901 1137340219 /nfs/dbraw/zinc/34/02/19/1137340219.db2.gz LGEBBSCVXAKHAU-YNHOBRIKSA-N -1 3 325.330 3.582 20 10 EHCDHM CC[C@H](NCc1nn(C)cc1C(F)F)c1cccc(Cl)c1[O-] ZINC000866568521 1137365407 /nfs/dbraw/zinc/36/54/07/1137365407.db2.gz WYWZSNACADATGA-LBPRGKRZSA-N -1 3 329.778 3.958 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](CF)c2ccc(F)cc2)c1 ZINC000866597037 1137367858 /nfs/dbraw/zinc/36/78/58/1137367858.db2.gz WKQYANAFNJRLTA-BZNIZROVSA-N -1 3 335.350 3.679 20 10 EHCDHM O=C(N[C@@H]1CCc2ccc(C(F)(F)F)cc21)c1cccc(O)c1[O-] ZINC001148224636 1137420125 /nfs/dbraw/zinc/42/01/25/1137420125.db2.gz RFJCZGLHKVOIGP-CYBMUJFWSA-N -1 3 337.297 3.534 20 10 EHCDHM CCOC1(C)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715759366 1137478109 /nfs/dbraw/zinc/47/81/09/1137478109.db2.gz MNFSTIFZGQCGIU-UHFFFAOYSA-N -1 3 346.240 3.685 20 10 EHCDHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000876795609 1137661555 /nfs/dbraw/zinc/66/15/55/1137661555.db2.gz RYJASQQTMVSNEU-RULNZOCKSA-N -1 3 339.407 3.601 20 10 EHCDHM COc1c([O-])c(CNc2ccccc2CCSC)ccc1[N+](=O)[O-] ZINC000877667667 1137684992 /nfs/dbraw/zinc/68/49/92/1137684992.db2.gz IICFSNBIBMBIBK-UHFFFAOYSA-N -1 3 348.424 3.827 20 10 EHCDHM CCN1C(=O)c2ccccc2N[C@H]1c1ccc(Br)cc1[O-] ZINC000877846788 1137693116 /nfs/dbraw/zinc/69/31/16/1137693116.db2.gz HHUJLHLNPYVGMI-OAHLLOKOSA-N -1 3 347.212 3.741 20 10 EHCDHM C[C@@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1c([O-])cccc1F ZINC000886586367 1138099742 /nfs/dbraw/zinc/09/97/42/1138099742.db2.gz QIJKJGJWFADKDS-ZIAGYGMSSA-N -1 3 330.403 3.930 20 10 EHCDHM CCNC(=O)N1CCc2ccc(N[C@H](C)c3c([O-])cccc3F)cc21 ZINC000886586099 1138099777 /nfs/dbraw/zinc/09/97/77/1138099777.db2.gz KVNJGZYRKOVNOS-GFCCVEGCSA-N -1 3 343.402 3.796 20 10 EHCDHM CC(=O)c1cc(F)cc(CN[C@@H](COCC(C)C)c2ccco2)c1[O-] ZINC000184196579 1140086798 /nfs/dbraw/zinc/08/67/98/1140086798.db2.gz VAWDWEWKFIHVMV-KRWDZBQOSA-N -1 3 349.402 3.830 20 10 EHCDHM CCN(CC)c1ccc(CN[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000003026209 564154492 /nfs/dbraw/zinc/15/44/92/564154492.db2.gz FDSACWOJNYPFDU-MRXNPFEDSA-N -1 3 332.469 3.900 20 10 EHCDHM CCCOCc1ccccc1C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001595947295 983115649 /nfs/dbraw/zinc/11/56/49/983115649.db2.gz UONWTTJHRYNTSW-CQSZACIVSA-N -1 3 343.423 3.868 20 10 EHCDHM C[C@H]([NH2+]C1(c2ccc(F)cc2)CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593210171 994244864 /nfs/dbraw/zinc/24/48/64/994244864.db2.gz NBMZRVJTEUIACK-LBPRGKRZSA-N -1 3 329.371 3.960 20 10 EHCDHM C[C@@H]([NH2+]CCCn1ccc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593266240 994578196 /nfs/dbraw/zinc/57/81/96/994578196.db2.gz BQEABVLGFPFWRT-CQSZACIVSA-N -1 3 338.407 3.786 20 10 EHCDHM C[C@H]([NH2+]CCc1cccc2cccnc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273856 994621593 /nfs/dbraw/zinc/62/15/93/994621593.db2.gz HVIDVHYIUUMMJM-ZDUSSCGKSA-N -1 3 336.391 3.532 20 10 EHCDHM COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599506821 997223784 /nfs/dbraw/zinc/22/37/84/997223784.db2.gz WLZZHIOMMNOEMJ-ZDUSSCGKSA-N -1 3 343.423 3.727 20 10 EHCDHM COc1ccc(-n2ccc(CN[C@@H](C)c3ccc(F)cc3[O-])n2)cc1 ZINC000185347854 1032381843 /nfs/dbraw/zinc/38/18/43/1032381843.db2.gz DPEOIQYERLKLSD-ZDUSSCGKSA-N -1 3 341.386 3.576 20 10 EHCDHM O=C([O-])C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(Cl)c1 ZINC000277252635 1024353199 /nfs/dbraw/zinc/35/31/99/1024353199.db2.gz JZEFRUVHNOLDHP-INIZCTEOSA-N -1 3 331.799 3.581 20 10 EHCDHM O=C(NCC1(c2c(F)cccc2F)CCCC1)c1cccc(O)c1[O-] ZINC001143440410 1025466170 /nfs/dbraw/zinc/46/61/70/1025466170.db2.gz ZBYAGLLLZDJKQR-UHFFFAOYSA-N -1 3 347.361 3.618 20 10 EHCDHM CCOCc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273351755 1027391025 /nfs/dbraw/zinc/39/10/25/1027391025.db2.gz BVWQQAYYZRNYLM-CYBMUJFWSA-N -1 3 329.396 3.888 20 10 EHCDHM COc1ccc(OC)c([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273377041 1027400221 /nfs/dbraw/zinc/40/02/21/1027400221.db2.gz HLOXPYUYWGRVBO-RYUDHWBXSA-N -1 3 346.383 3.729 20 10 EHCDHM C[C@H](N[C@@H](C)c1cc(F)ccc1[O-])c1noc(-c2ccccc2)n1 ZINC000185767887 1035529171 /nfs/dbraw/zinc/52/91/71/1035529171.db2.gz CASROEIYJVUKQJ-RYUDHWBXSA-N -1 3 327.359 3.993 20 10 EHCDHM CCCCOc1ccc(C(=O)N[C@H](C)c2ccccc2O)c([O-])c1 ZINC001648977101 1120316418 /nfs/dbraw/zinc/31/64/18/1120316418.db2.gz HPPIDQKSTPQICL-CYBMUJFWSA-N -1 3 329.396 3.768 20 10 EHCDHM [O-]c1c(CNc2ccnc3ccncc32)cc(Cl)c2cccnc12 ZINC001168524777 1123127014 /nfs/dbraw/zinc/12/70/14/1123127014.db2.gz WXMLHTCDGUIBOK-UHFFFAOYSA-N -1 3 336.782 3.571 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000921374967 1123530648 /nfs/dbraw/zinc/53/06/48/1123530648.db2.gz DQQJBUKNFCOVHL-GHMZBOCLSA-N -1 3 348.340 3.699 20 10 EHCDHM COC(=O)CN(CCc1ccc(C)cc1)Cc1cc(Cl)ccc1[O-] ZINC000736310690 1131415778 /nfs/dbraw/zinc/41/57/78/1131415778.db2.gz WJLNXHIWIIMDQZ-UHFFFAOYSA-N -1 3 347.842 3.572 20 10 EHCDHM COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000804325007 1132763302 /nfs/dbraw/zinc/76/33/02/1132763302.db2.gz NUXHZTAQUAVLLK-XJKSGUPXSA-N -1 3 341.407 3.720 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001178413725 1133167465 /nfs/dbraw/zinc/16/74/65/1133167465.db2.gz YBISRQPGJSZTAM-BYYDDPFNSA-N -1 3 345.336 3.762 20 10 EHCDHM Cc1ccc2c(CC(=O)NCc3c([O-])cccc3F)coc2c1C ZINC001178410295 1133167538 /nfs/dbraw/zinc/16/75/38/1133167538.db2.gz PQPKWPYAFDPVFC-UHFFFAOYSA-N -1 3 327.355 3.753 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2ccc3c(n2)CCC3)c1 ZINC001178742328 1133194872 /nfs/dbraw/zinc/19/48/72/1133194872.db2.gz RBRGVTWGDQOUDE-UHFFFAOYSA-N -1 3 333.229 3.959 20 10 EHCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1c1ccccc1 ZINC000769503395 1133303720 /nfs/dbraw/zinc/30/37/20/1133303720.db2.gz JWDRQSHBDANILC-MRXNPFEDSA-N -1 3 348.240 3.728 20 10 EHCDHM CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001180112165 1133333366 /nfs/dbraw/zinc/33/33/66/1133333366.db2.gz IEEGQLIRCUVAFK-GFCCVEGCSA-N -1 3 341.398 3.614 20 10 EHCDHM COc1ccccc1O[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622124 1133507020 /nfs/dbraw/zinc/50/70/20/1133507020.db2.gz PNFJKCKPPNXADK-AWEZNQCLSA-N -1 3 349.377 3.722 20 10 EHCDHM COc1c([O-])c(CN2CC[C@H](C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000775056686 1134264344 /nfs/dbraw/zinc/26/43/44/1134264344.db2.gz KYCIRRJSSONYQN-LBPRGKRZSA-N -1 3 328.368 3.823 20 10 EHCDHM COc1ccccc1[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790668044 1134448745 /nfs/dbraw/zinc/44/87/45/1134448745.db2.gz JCNPFPDPUPLLEI-LJQANCHMSA-N -1 3 349.386 3.626 20 10 EHCDHM COc1cscc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001188313139 1134451198 /nfs/dbraw/zinc/45/11/98/1134451198.db2.gz VJTXHEOVSYEJDK-UHFFFAOYSA-N -1 3 348.811 3.594 20 10 EHCDHM CN(Cc1c([O-])ccc(Cl)c1F)C[C@H]1OCCc2ccccc21 ZINC000792167381 1134661110 /nfs/dbraw/zinc/66/11/10/1134661110.db2.gz RGRXSVCDFCHTHV-QGZVFWFLSA-N -1 3 335.806 3.931 20 10 EHCDHM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cccc(Br)c1[O-] ZINC000793231324 1134879775 /nfs/dbraw/zinc/87/97/75/1134879775.db2.gz MILXBZJZAWJAQO-WCBMZHEXSA-N -1 3 338.167 3.927 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCC[C@H]1c1cccnc1 ZINC000809728641 1135872829 /nfs/dbraw/zinc/87/28/29/1135872829.db2.gz DKDUOQDMTINBGM-HNNXBMFYSA-N -1 3 333.229 3.887 20 10 EHCDHM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cccc(Cl)c1[O-] ZINC000809772173 1135881004 /nfs/dbraw/zinc/88/10/04/1135881004.db2.gz WGZOTDUWXCDMLF-FZMZJTMJSA-N -1 3 340.851 3.533 20 10 EHCDHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1cccc(O)c1[O-] ZINC000776351029 1136162265 /nfs/dbraw/zinc/16/22/65/1136162265.db2.gz XHANDFFNYKTOPQ-HNNXBMFYSA-N -1 3 339.416 3.873 20 10 EHCDHM COc1ccnc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])c1F ZINC000850537331 1136281353 /nfs/dbraw/zinc/28/13/53/1136281353.db2.gz TVJQSSOQYDKTEO-SECBINFHSA-N -1 3 344.308 3.805 20 10 EHCDHM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000776645612 1136513852 /nfs/dbraw/zinc/51/38/52/1136513852.db2.gz OTTHTWHXYWPWQY-UHFFFAOYSA-N -1 3 344.367 3.697 20 10 EHCDHM [O-]c1cccc(Br)c1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000862237510 1137134253 /nfs/dbraw/zinc/13/42/53/1137134253.db2.gz RBAHTSCBCOLPTK-ZDUSSCGKSA-N -1 3 336.233 3.605 20 10 EHCDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(N3CCCCC3)cc2)n1 ZINC000862433242 1137144288 /nfs/dbraw/zinc/14/42/88/1137144288.db2.gz UGLRNXLCSRGEFR-UHFFFAOYSA-N -1 3 340.471 3.506 20 10 EHCDHM CC(C)OCCOC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000825207351 1137168950 /nfs/dbraw/zinc/16/89/50/1137168950.db2.gz IYHDNRUGOKXKTK-UHFFFAOYSA-N -1 3 345.842 3.591 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000844440770 1137224087 /nfs/dbraw/zinc/22/40/87/1137224087.db2.gz UAGNEOOASWLSMM-OAHLLOKOSA-N -1 3 329.774 3.869 20 10 EHCDHM CCCCOc1c(NC(=O)c2cccc(O)c2[O-])ccc(F)c1F ZINC001148218886 1137419983 /nfs/dbraw/zinc/41/99/83/1137419983.db2.gz MBUOWAHYHWGFLA-UHFFFAOYSA-N -1 3 337.322 3.807 20 10 EHCDHM O=c1ccc(NCc2cc3ccccc3cc2[O-])nn1CC1CCC1 ZINC001171407723 1137473534 /nfs/dbraw/zinc/47/35/34/1137473534.db2.gz VHVNEMVNLACFHG-UHFFFAOYSA-N -1 3 335.407 3.514 20 10 EHCDHM O=c1ccc(NCc2cc3ccccc3cc2[O-])cn1CC(F)(F)F ZINC001171407710 1137473660 /nfs/dbraw/zinc/47/36/60/1137473660.db2.gz UVWFZWFWUUWQGM-UHFFFAOYSA-N -1 3 348.324 3.882 20 10 EHCDHM [O-]c1cc(Br)ccc1CN1CCC[C@@H]1c1cccnc1 ZINC000825903858 1137661607 /nfs/dbraw/zinc/66/16/07/1137661607.db2.gz USURIGJZTZQRAJ-OAHLLOKOSA-N -1 3 333.229 3.887 20 10 EHCDHM Cc1cc([O-])c(CN[C@H](C)c2noc(COC(C)C)n2)cc1Cl ZINC000825955218 1137674299 /nfs/dbraw/zinc/67/42/99/1137674299.db2.gz ITTZLSJUBLYWKN-LLVKDONJSA-N -1 3 339.823 3.513 20 10 EHCDHM CCCOc1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)cc1C ZINC000877648267 1137684283 /nfs/dbraw/zinc/68/42/83/1137684283.db2.gz NVSPQEASUPPVSX-UHFFFAOYSA-N -1 3 329.444 3.613 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877673834 1137685337 /nfs/dbraw/zinc/68/53/37/1137685337.db2.gz SNMFFUBCBZUPPS-NVXWUHKLSA-N -1 3 335.806 3.883 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000882939315 1137838998 /nfs/dbraw/zinc/83/89/98/1137838998.db2.gz WABZCPKUKYDBKL-DLBZAZTESA-N -1 3 337.341 3.819 20 10 EHCDHM CC(C)c1cc(CNCc2cc(Br)cc(F)c2[O-])on1 ZINC000883000730 1137841274 /nfs/dbraw/zinc/84/12/74/1137841274.db2.gz JURJLZFMODHKEF-UHFFFAOYSA-N -1 3 343.196 3.695 20 10 EHCDHM Cc1ccc(OC(F)F)c(CNCc2cc(F)cc(F)c2[O-])c1 ZINC000883037583 1137842398 /nfs/dbraw/zinc/84/23/98/1137842398.db2.gz CXOHDDWQUOFKOD-UHFFFAOYSA-N -1 3 329.293 3.870 20 10 EHCDHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cccc(Cl)c1[O-] ZINC000180678264 1139854635 /nfs/dbraw/zinc/85/46/35/1139854635.db2.gz QIHDNHWLPGHADR-YTEVENLXSA-N -1 3 337.872 3.976 20 10 EHCDHM Cc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1N1CCOC1=O ZINC000186395489 1140202118 /nfs/dbraw/zinc/20/21/18/1140202118.db2.gz OBQJJDJSGZPUNU-GFCCVEGCSA-N -1 3 330.359 3.969 20 10 EHCDHM C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354607 994994097 /nfs/dbraw/zinc/99/40/97/994994097.db2.gz UXANGWVKQJJVKQ-NORZTCDRSA-N -1 3 347.436 3.723 20 10 EHCDHM [O-]c1cccc(Br)c1CN1CCOC[C@@H]1c1ccccc1 ZINC001140098916 1016728965 /nfs/dbraw/zinc/72/89/65/1016728965.db2.gz SJEFVRIMKYDOHD-MRXNPFEDSA-N -1 3 348.240 3.728 20 10 EHCDHM Cc1nccn1-c1ccc(NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000377026888 1017267846 /nfs/dbraw/zinc/26/78/46/1017267846.db2.gz XNGPYPKMPILEAQ-UHFFFAOYSA-N -1 3 332.766 3.686 20 10 EHCDHM CC[C@H](Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1[O-] ZINC000796855514 1017980683 /nfs/dbraw/zinc/98/06/83/1017980683.db2.gz MHABBVSMOYJYJB-SFHVURJKSA-N -1 3 330.403 3.931 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1ccnn1C1CCC1 ZINC000894515645 1022442324 /nfs/dbraw/zinc/44/23/24/1022442324.db2.gz XGPAOLPEGNWPOZ-UHFFFAOYSA-N -1 3 326.227 3.910 20 10 EHCDHM CCN(CC)c1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000276998849 1023679979 /nfs/dbraw/zinc/67/99/79/1023679979.db2.gz KWFAJPUWBUKLIL-KRWDZBQOSA-N -1 3 332.469 3.900 20 10 EHCDHM C[C@@H](NCc1ccccc1OC(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273303072 1027364803 /nfs/dbraw/zinc/36/48/03/1027364803.db2.gz CAXIWXJBNZCJMV-SNVBAGLBSA-N -1 3 338.310 3.753 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000121232829 1034576214 /nfs/dbraw/zinc/57/62/14/1034576214.db2.gz NDHYNAMMDXQWPQ-JTQLQIEISA-N -1 3 326.227 3.802 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC(=Cc2cccc(F)c2)CC1 ZINC000363934332 1039014896 /nfs/dbraw/zinc/01/48/96/1039014896.db2.gz XFRINFCCLANLIG-UHFFFAOYSA-N -1 3 327.355 3.557 20 10 EHCDHM CCOc1cc(NCc2cc(Cl)c3cccnc3c2[O-])nc(C)n1 ZINC001168521463 1122353669 /nfs/dbraw/zinc/35/36/69/1122353669.db2.gz CKUSYLGZSLIBSN-UHFFFAOYSA-N -1 3 344.802 3.703 20 10 EHCDHM CC(C)Nc1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168524780 1123129499 /nfs/dbraw/zinc/12/94/99/1123129499.db2.gz WYKKGJGMPDSLEM-UHFFFAOYSA-N -1 3 343.818 3.816 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000921374970 1123530552 /nfs/dbraw/zinc/53/05/52/1123530552.db2.gz DQQJBUKNFCOVHL-WDEREUQCSA-N -1 3 348.340 3.699 20 10 EHCDHM O=C1CN(Cc2ccccc2)[C@H](c2cc(-c3ccccc3)ccc2[O-])N1 ZINC000732819220 1130959661 /nfs/dbraw/zinc/95/96/61/1130959661.db2.gz TYTZEBSHSZZRLJ-JOCHJYFZSA-N -1 3 344.414 3.690 20 10 EHCDHM CC1(C)CN(Cc2cc(F)cc(F)c2[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC001181215140 1133470281 /nfs/dbraw/zinc/47/02/81/1133470281.db2.gz ZYPAPHNVYAJYPQ-UHYGZKCKSA-N -1 3 337.410 3.840 20 10 EHCDHM C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774118127 1133614511 /nfs/dbraw/zinc/61/45/11/1133614511.db2.gz VOBHLXKZZKPNHM-BJOHPYRUSA-N -1 3 339.222 3.576 20 10 EHCDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccc(C(F)(F)F)cc1 ZINC000785845813 1133763837 /nfs/dbraw/zinc/76/38/37/1133763837.db2.gz QGSBEZOWUIFMJN-SNVBAGLBSA-N -1 3 339.313 3.650 20 10 EHCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccc(C(F)(F)F)cc1 ZINC000785845812 1133764019 /nfs/dbraw/zinc/76/40/19/1133764019.db2.gz QGSBEZOWUIFMJN-JTQLQIEISA-N -1 3 339.313 3.650 20 10 EHCDHM Cc1nnc([C@@H](C)N[C@@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000788742449 1134169101 /nfs/dbraw/zinc/16/91/01/1134169101.db2.gz WGHDSAIZQJEUSZ-JGVFFNPUSA-N -1 3 331.363 3.983 20 10 EHCDHM COc1c([O-])c(CNc2ccnn2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000775048175 1134252679 /nfs/dbraw/zinc/25/26/79/1134252679.db2.gz GQHOTDDHDOYERG-UHFFFAOYSA-N -1 3 346.387 3.623 20 10 EHCDHM COc1c([O-])c(CN2CCc3c2cccc3Cl)ccc1[N+](=O)[O-] ZINC000775057653 1134267782 /nfs/dbraw/zinc/26/77/82/1134267782.db2.gz OTTGTJHYCAYMPI-UHFFFAOYSA-N -1 3 334.759 3.525 20 10 EHCDHM COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1Cl ZINC000789762837 1134327730 /nfs/dbraw/zinc/32/77/30/1134327730.db2.gz VZLYBCGLLADQHK-UHFFFAOYSA-N -1 3 338.747 3.583 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCS[C@H](C(C)C)C2)c1[O-] ZINC001191224721 1134830001 /nfs/dbraw/zinc/83/00/01/1134830001.db2.gz WOHCUDWXMFMAOG-HNNXBMFYSA-N -1 3 327.877 3.822 20 10 EHCDHM C=CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1F ZINC001198602396 1135836275 /nfs/dbraw/zinc/83/62/75/1135836275.db2.gz GJZDMGKPCNZVRK-UHFFFAOYSA-N -1 3 339.775 3.595 20 10 EHCDHM CCCNC(=O)OC[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000809726656 1135879437 /nfs/dbraw/zinc/87/94/37/1135879437.db2.gz RRSXFVJYBOZDKB-AWEZNQCLSA-N -1 3 340.851 3.536 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc3c(cn2)CCCC3)c1 ZINC000812738983 1136240433 /nfs/dbraw/zinc/24/04/33/1136240433.db2.gz GMTGPXZRVMCVOY-LBPRGKRZSA-N -1 3 326.396 3.626 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@@H]2c2cccnc2)c1[O-] ZINC000854041195 1136583002 /nfs/dbraw/zinc/58/30/02/1136583002.db2.gz ZJFBJCYMYLTCGW-SFHVURJKSA-N -1 3 328.387 3.712 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000816491467 1136724264 /nfs/dbraw/zinc/72/42/64/1136724264.db2.gz MUIFZNAIKMHKLI-SNVBAGLBSA-N -1 3 341.732 3.728 20 10 EHCDHM CN(Cc1nc(-c2cccnc2)no1)Cc1ccc2ccccc2c1[O-] ZINC000816510193 1136728616 /nfs/dbraw/zinc/72/86/16/1136728616.db2.gz OVHMXXXKETVSCU-UHFFFAOYSA-N -1 3 346.390 3.622 20 10 EHCDHM CCN(CC)c1ccc(CNCc2c(F)ccc([O-])c2F)cc1F ZINC000816549724 1136733002 /nfs/dbraw/zinc/73/30/02/1136733002.db2.gz WXPFJWGSNFBYLV-UHFFFAOYSA-N -1 3 338.373 3.946 20 10 EHCDHM C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631782 1136886527 /nfs/dbraw/zinc/88/65/27/1136886527.db2.gz PVMIEZYIXYAZFZ-LIRRHRJNSA-N -1 3 325.408 3.744 20 10 EHCDHM C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631782 1136886529 /nfs/dbraw/zinc/88/65/29/1136886529.db2.gz PVMIEZYIXYAZFZ-LIRRHRJNSA-N -1 3 325.408 3.744 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc3c2OCCCO3)c1 ZINC000866618583 1137370102 /nfs/dbraw/zinc/37/01/02/1137370102.db2.gz GSYSMZDQEIWGMM-GFCCVEGCSA-N -1 3 343.379 3.513 20 10 EHCDHM CC(=O)Nc1cccc2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC000877683450 1137685651 /nfs/dbraw/zinc/68/56/51/1137685651.db2.gz XLRUDMZSXXUVEJ-UHFFFAOYSA-N -1 3 330.815 3.562 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CNCc1c(F)cccc1N1CCCC1 ZINC000883117157 1137845355 /nfs/dbraw/zinc/84/53/55/1137845355.db2.gz RVTOINGPMAYNEI-UHFFFAOYSA-N -1 3 336.357 3.700 20 10 EHCDHM CC[C@H](C)NC(=O)c1cccc(CN[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886505356 1138085648 /nfs/dbraw/zinc/08/56/48/1138085648.db2.gz XRCNKYHXNTXLMB-KBPBESRZSA-N -1 3 344.430 3.910 20 10 EHCDHM COC[C@@H](N[C@H](C)c1c([O-])cccc1F)c1ccc(F)c(F)c1 ZINC000886562114 1138097672 /nfs/dbraw/zinc/09/76/72/1138097672.db2.gz QQYGOAWRVAXDKC-MEBBXXQBSA-N -1 3 325.330 3.848 20 10 EHCDHM C[C@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1c([O-])cccc1F ZINC000886586365 1138099718 /nfs/dbraw/zinc/09/97/18/1138099718.db2.gz QIJKJGJWFADKDS-KGLIPLIRSA-N -1 3 330.403 3.930 20 10 EHCDHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cccc(Cl)c1[O-] ZINC000180678302 1139855416 /nfs/dbraw/zinc/85/54/16/1139855416.db2.gz QIHDNHWLPGHADR-AMXDTQDGSA-N -1 3 337.872 3.976 20 10 EHCDHM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)o1 ZINC000186919511 1140228384 /nfs/dbraw/zinc/22/83/84/1140228384.db2.gz RWIWJBJAESTCRS-XHDPSFHLSA-N -1 3 327.380 3.619 20 10 EHCDHM Cc1nnc([C@H](C)N[C@@H](C)c2cc(Br)ccc2[O-])s1 ZINC000274285400 1141493313 /nfs/dbraw/zinc/49/33/13/1141493313.db2.gz ZEQGBBGGJMXSMM-YUMQZZPRSA-N -1 3 342.262 3.726 20 10 EHCDHM Cc1nnc([C@@H](C)N[C@@H](C)c2cc(Br)ccc2[O-])s1 ZINC000274285395 1141493524 /nfs/dbraw/zinc/49/35/24/1141493524.db2.gz ZEQGBBGGJMXSMM-JGVFFNPUSA-N -1 3 342.262 3.726 20 10 EHCDHM CC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccc(OC)cc1 ZINC001595278996 980315384 /nfs/dbraw/zinc/31/53/84/980315384.db2.gz KXJXPPOXTKPVBR-YVEFUNNKSA-N -1 3 329.396 3.901 20 10 EHCDHM CCCC[N@H+](Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccccc1[O-] ZINC001595749260 982422499 /nfs/dbraw/zinc/42/24/99/982422499.db2.gz UWYRQCBBDDXDNV-KHPPLWFESA-N -1 3 329.396 3.885 20 10 EHCDHM CCCC[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccccc1[O-] ZINC001595749260 982422503 /nfs/dbraw/zinc/42/25/03/982422503.db2.gz UWYRQCBBDDXDNV-KHPPLWFESA-N -1 3 329.396 3.885 20 10 EHCDHM CCN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1ccc(N(C)C)cc1 ZINC001596364739 983852792 /nfs/dbraw/zinc/85/27/92/983852792.db2.gz BILUMTSWKPCPTC-UHFFFAOYSA-N -1 3 341.455 3.678 20 10 EHCDHM COc1ccc(O)c([C@H](C)NCc2cccc(C(=O)[O-])c2Cl)c1 ZINC001599598689 993784166 /nfs/dbraw/zinc/78/41/66/993784166.db2.gz QAOOUXNNNJZEAQ-JTQLQIEISA-N -1 3 335.787 3.603 20 10 EHCDHM C[C@H](NCc1ccccc1OC(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273303070 1027364900 /nfs/dbraw/zinc/36/49/00/1027364900.db2.gz CAXIWXJBNZCJMV-JTQLQIEISA-N -1 3 338.310 3.753 20 10 EHCDHM COc1ccc(F)cc1[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273404467 1027414144 /nfs/dbraw/zinc/41/41/44/1027414144.db2.gz OAYRRAOFRDOVQQ-MNOVXSKESA-N -1 3 334.347 3.860 20 10 EHCDHM CC(C)(C)OC(=O)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271745615 1029150776 /nfs/dbraw/zinc/15/07/76/1029150776.db2.gz SPVJWJKGXVDGTK-UHFFFAOYSA-N -1 3 325.836 3.599 20 10 EHCDHM O=C(c1ccc(NCc2c([O-])cccc2Cl)cc1)N1CCCC1 ZINC000278653206 1031830024 /nfs/dbraw/zinc/83/00/24/1031830024.db2.gz JUVFUZUJNXAACU-UHFFFAOYSA-N -1 3 330.815 3.894 20 10 EHCDHM COC(=O)CN(CCC1=CCCCC1)Cc1cc(Cl)ccc1[O-] ZINC001167739323 1039127306 /nfs/dbraw/zinc/12/73/06/1039127306.db2.gz BZXCFSZYYAUXCP-UHFFFAOYSA-N -1 3 337.847 3.911 20 10 EHCDHM COc1c(C)ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C ZINC000278886405 1042838254 /nfs/dbraw/zinc/83/82/54/1042838254.db2.gz OYLVKNVZCSICGI-UHFFFAOYSA-N -1 3 332.356 3.547 20 10 EHCDHM Nc1ccc(Cl)nc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522471 1122440063 /nfs/dbraw/zinc/44/00/63/1122440063.db2.gz SHINQMREHGIEAD-UHFFFAOYSA-N -1 3 335.194 3.837 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)c([O-])c1O ZINC000181831203 1125056935 /nfs/dbraw/zinc/05/69/35/1125056935.db2.gz IYAPPPPHLRGCRD-UHFFFAOYSA-N -1 3 327.258 3.557 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c([O-])c1O ZINC000751534267 1130711157 /nfs/dbraw/zinc/71/11/57/1130711157.db2.gz WPIUIHFPGOXMSL-UHFFFAOYSA-N -1 3 343.713 3.913 20 10 EHCDHM CN(C(=O)c1cccc(O)c1[O-])C1(Cc2ccccc2)CCCC1 ZINC001177153568 1133035704 /nfs/dbraw/zinc/03/57/04/1133035704.db2.gz LXHAAMXDAFDTFQ-UHFFFAOYSA-N -1 3 325.408 3.725 20 10 EHCDHM Cc1cc2occ(CC(=O)NCc3c([O-])cccc3F)c2cc1C ZINC001178410265 1133167205 /nfs/dbraw/zinc/16/72/05/1133167205.db2.gz OODGCHRTNSLCOG-UHFFFAOYSA-N -1 3 327.355 3.753 20 10 EHCDHM COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1Cc1ccc(Cl)cc1[O-] ZINC001181286605 1133475636 /nfs/dbraw/zinc/47/56/36/1133475636.db2.gz VJDJFCGBCDOVCP-IRXDYDNUSA-N -1 3 345.826 3.924 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN1CCCN(c2ccccc2F)CC1 ZINC001181575069 1133501605 /nfs/dbraw/zinc/50/16/05/1133501605.db2.gz FDDSJVPDWFISSY-UHFFFAOYSA-N -1 3 336.357 3.522 20 10 EHCDHM CCN(CCNC(=O)OC(C)(C)C)Cc1c([O-])ccc(Cl)c1F ZINC001182908867 1133748665 /nfs/dbraw/zinc/74/86/65/1133748665.db2.gz CFSLSVCLOROGTB-UHFFFAOYSA-N -1 3 346.830 3.531 20 10 EHCDHM [O-]c1c(CN2CC[C@H](c3c(F)cccc3F)C2)ccc(F)c1F ZINC001183779523 1133854732 /nfs/dbraw/zinc/85/47/32/1133854732.db2.gz OGSXKFYNIKLNMP-JTQLQIEISA-N -1 3 325.305 3.938 20 10 EHCDHM O=C(Nc1ccc(Oc2ccccc2F)nc1)c1cccc(O)c1[O-] ZINC000787687561 1134030163 /nfs/dbraw/zinc/03/01/63/1134030163.db2.gz VWNOOGUKAGOYLO-UHFFFAOYSA-N -1 3 340.310 3.677 20 10 EHCDHM COc1c([O-])c(CN2CC[C@H](C)C[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774909419 1134116725 /nfs/dbraw/zinc/11/67/25/1134116725.db2.gz MSGKAZAFKGUFQB-SWLSCSKDSA-N -1 3 346.383 3.875 20 10 EHCDHM COc1c([O-])c(CNc2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000774937326 1134142027 /nfs/dbraw/zinc/14/20/27/1134142027.db2.gz XVJBHHMXAYRAMO-UHFFFAOYSA-N -1 3 340.282 3.523 20 10 EHCDHM COc1cc(Cl)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775078282 1134288065 /nfs/dbraw/zinc/28/80/65/1134288065.db2.gz XXVOIPWJZKMIIZ-UHFFFAOYSA-N -1 3 338.747 3.583 20 10 EHCDHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1cccc(O)c1[O-] ZINC000790845143 1134468992 /nfs/dbraw/zinc/46/89/92/1134468992.db2.gz IJXIEPFGKZDSRU-UHFFFAOYSA-N -1 3 329.396 3.974 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000790947316 1134483348 /nfs/dbraw/zinc/48/33/48/1134483348.db2.gz YNQQZHUPYTTZSJ-CGTJXYLNSA-N -1 3 337.419 3.896 20 10 EHCDHM COc1ccc(CN(C)Cc2c([O-])ccc(Cl)c2F)cc1OC ZINC000792156844 1134658618 /nfs/dbraw/zinc/65/86/18/1134658618.db2.gz OQFQNOSEMTWAIA-UHFFFAOYSA-N -1 3 339.794 3.834 20 10 EHCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000808110311 1135619005 /nfs/dbraw/zinc/61/90/05/1135619005.db2.gz IBFSPGSUDXELPP-UHFFFAOYSA-N -1 3 327.352 3.693 20 10 EHCDHM C[C@H]1Oc2ccccc2[C@@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000808443211 1135667519 /nfs/dbraw/zinc/66/75/19/1135667519.db2.gz BUSFHVWUEZPZFM-RFAUZJTJSA-N -1 3 334.759 3.566 20 10 EHCDHM COC(=O)CN(Cc1ccsc1C)Cc1cc(Cl)ccc1[O-] ZINC000816506811 1136728642 /nfs/dbraw/zinc/72/86/42/1136728642.db2.gz NMZXRHCPVHZBND-UHFFFAOYSA-N -1 3 339.844 3.591 20 10 EHCDHM COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1cccc(O)c1[O-] ZINC000817687503 1136832257 /nfs/dbraw/zinc/83/22/57/1136832257.db2.gz IQMYWFAKXNATST-AWEZNQCLSA-N -1 3 341.407 3.582 20 10 EHCDHM CC(C)c1cc(CNCc2c([O-])cccc2Br)on1 ZINC000858137631 1136942792 /nfs/dbraw/zinc/94/27/92/1136942792.db2.gz UZOOMBSWLCYHOG-UHFFFAOYSA-N -1 3 325.206 3.556 20 10 EHCDHM Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)c([O-])c1O ZINC001143715393 1137191373 /nfs/dbraw/zinc/19/13/73/1137191373.db2.gz SAVPVPMXJWBSRM-UHFFFAOYSA-N -1 3 345.443 3.908 20 10 EHCDHM C[C@@H](NCc1ncc(Br)s1)c1cc(F)cc(F)c1[O-] ZINC000866619609 1137370218 /nfs/dbraw/zinc/37/02/18/1137370218.db2.gz FWKNJHVKEFSHBO-ZCFIWIBFSA-N -1 3 349.200 3.740 20 10 EHCDHM Cc1nccnc1[C@@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000872135633 1137573546 /nfs/dbraw/zinc/57/35/46/1137573546.db2.gz XNADQJLFWCOXBQ-MWLCHTKSSA-N -1 3 325.334 3.921 20 10 EHCDHM [O-]c1c(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)ccc(F)c1F ZINC000877125921 1137670861 /nfs/dbraw/zinc/67/08/61/1137670861.db2.gz WDSUDDPTUOOLGT-CYBMUJFWSA-N -1 3 347.283 3.512 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CNC2(c3ccccc3F)CC2)c1[O-] ZINC000130542856 1137839169 /nfs/dbraw/zinc/83/91/69/1137839169.db2.gz BHFKNVRUBPITMI-UHFFFAOYSA-N -1 3 336.750 3.872 20 10 EHCDHM C[C@@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1c([O-])cccc1F ZINC000886558069 1138096656 /nfs/dbraw/zinc/09/66/56/1138096656.db2.gz ASHJTKPZNUEEJB-QMTHXVAHSA-N -1 3 343.320 3.934 20 10 EHCDHM CC1CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000736279567 598503279 /nfs/dbraw/zinc/50/32/79/598503279.db2.gz KZETYTHWQMEWOO-UHFFFAOYSA-N -1 3 348.454 3.715 20 10 EHCDHM O=C([O-])[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccccc1F ZINC000779490823 978783990 /nfs/dbraw/zinc/78/39/90/978783990.db2.gz FFTHYNJEDOCXMI-IBGZPJMESA-N -1 3 342.414 3.732 20 10 EHCDHM CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccc(OC)cc1 ZINC001595278994 980315633 /nfs/dbraw/zinc/31/56/33/980315633.db2.gz KXJXPPOXTKPVBR-SJCJKPOMSA-N -1 3 329.396 3.901 20 10 EHCDHM COc1ccc(O)c([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599598497 993780648 /nfs/dbraw/zinc/78/06/48/993780648.db2.gz NZMQNZKLNUKDSU-HWPZZCPQSA-N -1 3 335.787 3.531 20 10 EHCDHM C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234416 994402585 /nfs/dbraw/zinc/40/25/85/994402585.db2.gz ZPCWGPYDWWJVQK-BONVTDFDSA-N -1 3 331.799 3.562 20 10 EHCDHM COCC[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccc(C)o1 ZINC000293668897 1022887279 /nfs/dbraw/zinc/88/72/79/1022887279.db2.gz QHCZJKWZRKHRBL-CQSZACIVSA-N -1 3 327.783 3.954 20 10 EHCDHM CC1(C)CN(Cc2cccc(Br)c2[O-])CC(C)(C)O1 ZINC000226455595 1033124100 /nfs/dbraw/zinc/12/41/00/1033124100.db2.gz GYPDCEITLVUJNO-UHFFFAOYSA-N -1 3 328.250 3.544 20 10 EHCDHM CCn1ccnc1[C@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000281024770 1024568441 /nfs/dbraw/zinc/56/84/41/1024568441.db2.gz OPTSUPGHJTXUBJ-QGZVFWFLSA-N -1 3 345.418 3.678 20 10 EHCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000174728844 1037452728 /nfs/dbraw/zinc/45/27/28/1037452728.db2.gz FVINBMCWMLWAES-UHFFFAOYSA-N -1 3 345.342 3.829 20 10 EHCDHM C[C@@H](N[C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(F)cc1[O-] ZINC000363849399 1038681117 /nfs/dbraw/zinc/68/11/17/1038681117.db2.gz GSFVNOQCZDVQLD-BFUOFWGJSA-N -1 3 325.387 3.705 20 10 EHCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC001207548491 1042690273 /nfs/dbraw/zinc/69/02/73/1042690273.db2.gz FUIHLEKPWXSRME-LBPRGKRZSA-N -1 3 325.252 3.537 20 10 EHCDHM CC(=O)Nc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168523011 1122541871 /nfs/dbraw/zinc/54/18/71/1122541871.db2.gz YEMBYLRGMCVDGT-UHFFFAOYSA-N -1 3 342.786 3.559 20 10 EHCDHM CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(Cl)ccc1[O-] ZINC000742443666 1131727927 /nfs/dbraw/zinc/72/79/27/1131727927.db2.gz NOEMLNKIVORTJR-MRXNPFEDSA-N -1 3 336.863 3.979 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCC[C@@H]1c1ccccn1 ZINC000768359168 1133129514 /nfs/dbraw/zinc/12/95/14/1133129514.db2.gz ALMNJZXAJVNLCO-OAHLLOKOSA-N -1 3 333.229 3.887 20 10 EHCDHM CC(=O)Nc1cccc2c1CCN(Cc1c([O-])cccc1Cl)C2 ZINC000768985087 1133210927 /nfs/dbraw/zinc/21/09/27/1133210927.db2.gz PASMKFPYCLGFPE-UHFFFAOYSA-N -1 3 330.815 3.562 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](c2ccccc2)c2ccccc21 ZINC000769324302 1133262491 /nfs/dbraw/zinc/26/24/91/1133262491.db2.gz IIMAFQDGEQAQAF-QGZVFWFLSA-N -1 3 331.371 3.890 20 10 EHCDHM CC1CCN(c2cccc(NC(=O)c3c([O-])cccc3O)c2)CC1 ZINC000770402533 1133424047 /nfs/dbraw/zinc/42/40/47/1133424047.db2.gz TVMDQBRIQKGVFB-UHFFFAOYSA-N -1 3 326.396 3.586 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c([O-])c1O ZINC000770489252 1133440249 /nfs/dbraw/zinc/44/02/49/1133440249.db2.gz RAXYPLQTWYJMEA-UHFFFAOYSA-N -1 3 346.814 3.912 20 10 EHCDHM C[C@H](NCc1cc(F)c(F)cc1[O-])c1nc(C(F)(F)F)cs1 ZINC001181244959 1133468239 /nfs/dbraw/zinc/46/82/39/1133468239.db2.gz YFYPYGLOYCATNK-LURJTMIESA-N -1 3 338.301 3.997 20 10 EHCDHM C[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccc(Br)cn1 ZINC001181373806 1133481493 /nfs/dbraw/zinc/48/14/93/1133481493.db2.gz SHBFVKMIUILSJL-MRVPVSSYSA-N -1 3 343.171 3.679 20 10 EHCDHM COc1c([O-])c(CN2C[C@@H](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774911154 1134118294 /nfs/dbraw/zinc/11/82/94/1134118294.db2.gz VYUHFZJALAXBIG-MLGOLLRUSA-N -1 3 328.368 3.502 20 10 EHCDHM CCCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)c1ccccc1OC ZINC000790597329 1134439752 /nfs/dbraw/zinc/43/97/52/1134439752.db2.gz OARDCKJJGRGBDN-ZDUSSCGKSA-N -1 3 329.396 3.720 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)c(C)c(C)c1O ZINC000775291771 1134615289 /nfs/dbraw/zinc/61/52/89/1134615289.db2.gz OURBGEUMRCCGFF-UHFFFAOYSA-N -1 3 342.420 3.666 20 10 EHCDHM COC(=O)c1ccc(CN(C)Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000792167666 1134661503 /nfs/dbraw/zinc/66/15/03/1134661503.db2.gz XKWWMJIXXHKDGY-UHFFFAOYSA-N -1 3 337.778 3.603 20 10 EHCDHM COC(=O)C(C)(C)[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792174366 1134663234 /nfs/dbraw/zinc/66/32/34/1134663234.db2.gz UHCHBFRNVVIMPQ-LLVKDONJSA-N -1 3 343.826 3.596 20 10 EHCDHM O=C1OCCN1c1cc(NCc2c([O-])cccc2Cl)ccc1F ZINC000793320141 1134903694 /nfs/dbraw/zinc/90/36/94/1134903694.db2.gz PEYIAHUKEZLDDJ-UHFFFAOYSA-N -1 3 336.750 3.753 20 10 EHCDHM Cc1nc(-c2ccccc2NC(=O)c2cccc(O)c2[O-])cs1 ZINC000794131496 1135021486 /nfs/dbraw/zinc/02/14/86/1135021486.db2.gz ZQAHFEASCZSEPW-UHFFFAOYSA-N -1 3 326.377 3.782 20 10 EHCDHM O=C(Nc1cccc2c1C(=O)CCC2)c1ccc([O-])c(O)c1Cl ZINC001193230655 1135120831 /nfs/dbraw/zinc/12/08/31/1135120831.db2.gz ZXZMDCWNGKSGHL-UHFFFAOYSA-N -1 3 331.755 3.523 20 10 EHCDHM CSCC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC001198336933 1135802499 /nfs/dbraw/zinc/80/24/99/1135802499.db2.gz MSBFITRURYJGCF-UHFFFAOYSA-N -1 3 327.877 3.823 20 10 EHCDHM COc1cccc([O-])c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809776134 1135881811 /nfs/dbraw/zinc/88/18/11/1135881811.db2.gz VZMOKSMTSPQWJS-UHFFFAOYSA-N -1 3 328.195 3.703 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2cn(C)nc2C2CC2)c1 ZINC000812777556 1136245997 /nfs/dbraw/zinc/24/59/97/1136245997.db2.gz OARNIIKMCZITNE-UHFFFAOYSA-N -1 3 336.233 3.686 20 10 EHCDHM COC[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1cccc(OC)c1 ZINC000850514031 1136274860 /nfs/dbraw/zinc/27/48/60/1136274860.db2.gz KSJUITLHZJHZRI-GTNSWQLSSA-N -1 3 337.366 3.717 20 10 EHCDHM [O-]c1cccc(C[NH2+]Cc2cccc(Br)c2[O-])c1Cl ZINC000816592401 1136735320 /nfs/dbraw/zinc/73/53/20/1136735320.db2.gz JDHINRFYAIZGQF-UHFFFAOYSA-N -1 3 342.620 3.804 20 10 EHCDHM CCc1cccc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1[O-] ZINC001136025622 1136841458 /nfs/dbraw/zinc/84/14/58/1136841458.db2.gz RBCMLUDVAJUOLP-UHFFFAOYSA-N -1 3 338.451 3.827 20 10 EHCDHM COc1ccc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000858502154 1136974180 /nfs/dbraw/zinc/97/41/80/1136974180.db2.gz YOOVMHDXNRZMNO-NWDGAFQWSA-N -1 3 346.383 3.729 20 10 EHCDHM C[C@H](NCc1cccnc1F)c1cc(Br)cc(F)c1[O-] ZINC000794837592 1137275943 /nfs/dbraw/zinc/27/59/43/1137275943.db2.gz UWHDBJTVPDDHPF-QMMMGPOBSA-N -1 3 343.171 3.679 20 10 EHCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])snc1-c1ccccc1 ZINC001148212228 1137419702 /nfs/dbraw/zinc/41/97/02/1137419702.db2.gz RVDOLIVUKXWFTQ-UHFFFAOYSA-N -1 3 326.377 3.782 20 10 EHCDHM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(F)cc1F ZINC000874927540 1137626496 /nfs/dbraw/zinc/62/64/96/1137626496.db2.gz JFBACCLNHBDZRG-MKMNVTDBSA-N -1 3 334.347 3.696 20 10 EHCDHM COc1cc(F)c([C@@H](C)NCc2cc(F)cc(F)c2[O-])cc1OC ZINC000882999877 1137841058 /nfs/dbraw/zinc/84/10/58/1137841058.db2.gz CIVVHKSVIPSEGG-SECBINFHSA-N -1 3 341.329 3.678 20 10 EHCDHM C[C@H](Nc1cccc([C@@]2(C)COC(=O)N2)c1)c1c([O-])cccc1F ZINC000886652051 1138107580 /nfs/dbraw/zinc/10/75/80/1138107580.db2.gz XUXIRVYQKMIATQ-BBATYDOGSA-N -1 3 330.359 3.659 20 10 EHCDHM CSCc1nnc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])[n-]1 ZINC000886757806 1138133235 /nfs/dbraw/zinc/13/32/35/1138133235.db2.gz RNAZCFBZXGIRLN-ZETCQYMHSA-N -1 3 347.271 3.531 20 10 EHCDHM C[C@H]1COCCN1c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000151272320 1139021682 /nfs/dbraw/zinc/02/16/82/1139021682.db2.gz QLHDWZHSDUOLMI-ZDUSSCGKSA-N -1 3 332.831 3.883 20 10 EHCDHM CCNC(=O)N1CCc2ccc(N[C@H](C)c3ccc(F)cc3[O-])cc21 ZINC000186470468 1140205927 /nfs/dbraw/zinc/20/59/27/1140205927.db2.gz ZMEUTQZSVBVTPF-GFCCVEGCSA-N -1 3 343.402 3.796 20 10 EHCDHM O=C([O-])NC1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000740559626 603089486 /nfs/dbraw/zinc/08/94/86/603089486.db2.gz FTKHZSLZVWUPLW-UHFFFAOYSA-N -1 3 340.423 3.728 20 10 EHCDHM CN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(N2CCCCC2)cc1 ZINC000833695195 605108572 /nfs/dbraw/zinc/10/85/72/605108572.db2.gz KXEIANAATMMZGZ-UHFFFAOYSA-N -1 3 328.412 3.600 20 10 EHCDHM C[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1C(F)(F)F)c1ccccc1[O-] ZINC001599901214 984831833 /nfs/dbraw/zinc/83/18/33/984831833.db2.gz ZLIRPWCKICMOID-BONVTDFDSA-N -1 3 339.313 3.888 20 10 EHCDHM C[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252760 994508619 /nfs/dbraw/zinc/50/86/19/994508619.db2.gz VCHUIMWWNLCLHU-NEPJUHHUSA-N -1 3 327.371 3.957 20 10 EHCDHM COc1cc(Cl)cc(C[NH2+][C@@H](CC2CCCCC2)C(=O)[O-])c1[O-] ZINC001599420296 997583270 /nfs/dbraw/zinc/58/32/70/997583270.db2.gz DDYLAKPJNQVJKB-AWEZNQCLSA-N -1 3 341.835 3.567 20 10 EHCDHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc(Cl)ccc1[O-] ZINC000377914494 1018546983 /nfs/dbraw/zinc/54/69/83/1018546983.db2.gz MSBODMPBZPSFTD-GFCCVEGCSA-N -1 3 346.862 3.872 20 10 EHCDHM CO[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1C ZINC000894902752 1022058518 /nfs/dbraw/zinc/05/85/18/1022058518.db2.gz LAGDUQLKZCKWPI-NOZJJQNGSA-N -1 3 348.668 3.665 20 10 EHCDHM CC(C)(C)c1ncc(/C=C/C(=O)NCc2c([O-])cccc2F)s1 ZINC000928706152 1028102003 /nfs/dbraw/zinc/10/20/03/1028102003.db2.gz SDXVLUPRXQOSQA-BQYQJAHWSA-N -1 3 334.416 3.615 20 10 EHCDHM CC(=O)c1cc(F)cc(CN(C)Cc2nc3ccccc3s2)c1[O-] ZINC000177236483 1034873986 /nfs/dbraw/zinc/87/39/86/1034873986.db2.gz MAXHCTODFSOCIK-UHFFFAOYSA-N -1 3 344.411 3.976 20 10 EHCDHM [O-]c1ccc(Cl)cc1CN1CCSC[C@H]1c1nccs1 ZINC000186645206 1035678284 /nfs/dbraw/zinc/67/82/84/1035678284.db2.gz UGGIBQQVUVKSQO-LBPRGKRZSA-N -1 3 326.874 3.792 20 10 EHCDHM CCc1cnc(CN(C)Cc2cc(Br)ccc2[O-])s1 ZINC000093807445 1129603393 /nfs/dbraw/zinc/60/33/93/1129603393.db2.gz QRIMYVLXUJGJQB-UHFFFAOYSA-N -1 3 341.274 3.806 20 10 EHCDHM O=C1OCCN1Cc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000734157896 1131207995 /nfs/dbraw/zinc/20/79/95/1131207995.db2.gz KCJPIMHDTPEPEQ-UHFFFAOYSA-N -1 3 332.787 3.610 20 10 EHCDHM Nc1ccc(Cc2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC001175430281 1132667166 /nfs/dbraw/zinc/66/71/66/1132667166.db2.gz NYSBDSSJAMUBSW-UHFFFAOYSA-N -1 3 342.406 3.783 20 10 EHCDHM COc1ccc2c(c1)[C@@H](N[C@H](C)c1cc(F)cc(F)c1[O-])CCO2 ZINC000768273939 1133120328 /nfs/dbraw/zinc/12/03/28/1133120328.db2.gz BHWRAPRYXIHYFM-HWPZZCPQSA-N -1 3 335.350 3.853 20 10 EHCDHM CN1CCN(Cc2cccc(Br)c2[O-])Cc2ccccc21 ZINC000769320873 1133261099 /nfs/dbraw/zinc/26/10/99/1133261099.db2.gz ZBHPAEMZVNFLTA-UHFFFAOYSA-N -1 3 347.256 3.607 20 10 EHCDHM O=C1CCCN1c1ccc(F)c(NCc2c([O-])cccc2Cl)c1 ZINC000770411485 1133424969 /nfs/dbraw/zinc/42/49/69/1133424969.db2.gz BKNPPJNPFMAXFK-UHFFFAOYSA-N -1 3 334.778 3.924 20 10 EHCDHM Cc1cc([O-])c(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1Cl ZINC001181972233 1133562911 /nfs/dbraw/zinc/56/29/11/1133562911.db2.gz QWHBTNVFYFUMOO-ZDUSSCGKSA-N -1 3 337.769 3.896 20 10 EHCDHM C[C@H](N[C@H](C(N)=O)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774118136 1133614497 /nfs/dbraw/zinc/61/44/97/1133614497.db2.gz VOBHLXKZZKPNHM-VFZGTOFNSA-N -1 3 339.222 3.576 20 10 EHCDHM COc1c([O-])c(CNc2cc(F)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000774934881 1134140857 /nfs/dbraw/zinc/14/08/57/1134140857.db2.gz LJAJAUIUGDTAIR-UHFFFAOYSA-N -1 3 326.711 3.714 20 10 EHCDHM Cc1nnc([C@H](C)N[C@@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000788742451 1134168840 /nfs/dbraw/zinc/16/88/40/1134168840.db2.gz WGHDSAIZQJEUSZ-YUMQZZPRSA-N -1 3 331.363 3.983 20 10 EHCDHM C[C@H](N[C@H](CCO)c1ccco1)c1cccc(C(F)(F)F)c1[O-] ZINC000788749130 1134169582 /nfs/dbraw/zinc/16/95/82/1134169582.db2.gz CLTWEBACUXCZNB-GXFFZTMASA-N -1 3 329.318 3.778 20 10 EHCDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)cc1CC ZINC000790415711 1134413325 /nfs/dbraw/zinc/41/33/25/1134413325.db2.gz IOCDHJIDHUNKHZ-UHFFFAOYSA-N -1 3 333.453 3.880 20 10 EHCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2ccc(-c3ccco3)cc2F)c1 ZINC000790483125 1134424223 /nfs/dbraw/zinc/42/42/23/1134424223.db2.gz AJTADXDNTAWCGH-UHFFFAOYSA-N -1 3 342.326 3.989 20 10 EHCDHM Cc1csc(Nc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)n1 ZINC000790667912 1134448472 /nfs/dbraw/zinc/44/84/72/1134448472.db2.gz GNBWHVXWOCQLLI-UHFFFAOYSA-N -1 3 341.392 3.859 20 10 EHCDHM Cc1ccc(CNCc2c([O-])ccc(Cl)c2F)c(N2CCCC2)n1 ZINC000790990818 1134489567 /nfs/dbraw/zinc/48/95/67/1134489567.db2.gz PTKHBHLJJUXCQO-UHFFFAOYSA-N -1 3 349.837 3.778 20 10 EHCDHM CCOC(=O)CCC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792168938 1134662292 /nfs/dbraw/zinc/66/22/92/1134662292.db2.gz HAJHDAURERAFGA-UHFFFAOYSA-N -1 3 343.826 3.740 20 10 EHCDHM COc1ccc(O)c([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000792237295 1134670289 /nfs/dbraw/zinc/67/02/89/1134670289.db2.gz AWYKAYUNUYHDAO-LBPRGKRZSA-N -1 3 337.375 3.751 20 10 EHCDHM CCCCCCNC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001191989965 1134948822 /nfs/dbraw/zinc/94/88/22/1134948822.db2.gz KSHPUWNYWGLKOY-UHFFFAOYSA-N -1 3 335.835 3.973 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(c3cccnc3)CC2)c1[O-] ZINC000809737785 1135883700 /nfs/dbraw/zinc/88/37/00/1135883700.db2.gz LCZZLIRNYGAHGW-UHFFFAOYSA-N -1 3 347.802 3.728 20 10 EHCDHM COC[C@@H](N[C@H](C)c1cc(F)cc(F)c1[O-])c1cccc(OC)c1 ZINC000850514033 1136274698 /nfs/dbraw/zinc/27/46/98/1136274698.db2.gz KSJUITLHZJHZRI-PIGZYNQJSA-N -1 3 337.366 3.717 20 10 EHCDHM O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1cccc(O)c1[O-] ZINC000776670124 1136531416 /nfs/dbraw/zinc/53/14/16/1136531416.db2.gz MGZSQSHBJACQNY-GOSISDBHSA-N -1 3 337.350 3.756 20 10 EHCDHM CCOc1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000748046836 1136676009 /nfs/dbraw/zinc/67/60/09/1136676009.db2.gz RKBBCTDPOKIEDL-UHFFFAOYSA-N -1 3 331.387 3.765 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](CC(F)(F)F)C2)c1[O-] ZINC000817281709 1136791594 /nfs/dbraw/zinc/79/15/94/1136791594.db2.gz NTGUQESQUBBGRE-NSHDSACASA-N -1 3 333.325 3.898 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000818573892 1136884998 /nfs/dbraw/zinc/88/49/98/1136884998.db2.gz QXNRACBWZXXAOZ-FQEVSTJZSA-N -1 3 345.398 3.886 20 10 EHCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(SC)ccc1[O-] ZINC000824234788 1137129067 /nfs/dbraw/zinc/12/90/67/1137129067.db2.gz RGNRPFGALHAWJT-UHFFFAOYSA-N -1 3 344.480 3.842 20 10 EHCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@H](C)C1(F)F ZINC000862442269 1137145159 /nfs/dbraw/zinc/14/51/59/1137145159.db2.gz HISZSEPWPFLSES-AOOOYVTPSA-N -1 3 334.204 3.878 20 10 EHCDHM CCCc1ncc(CNCc2cc(C)cc(Br)c2[O-])o1 ZINC000825084065 1137164742 /nfs/dbraw/zinc/16/47/42/1137164742.db2.gz BRYDVQJMNBHFBI-UHFFFAOYSA-N -1 3 339.233 3.693 20 10 EHCDHM CCn1cc(CN(Cc2cc(Cl)cc(F)c2[O-])C(C)C)cn1 ZINC000846054826 1137330960 /nfs/dbraw/zinc/33/09/60/1137330960.db2.gz HCGSSFIINATESS-UHFFFAOYSA-N -1 3 325.815 3.812 20 10 EHCDHM Cc1nnc(-c2cccc(NCc3c([O-])cccc3Cl)c2)n1C ZINC000772950898 1137363727 /nfs/dbraw/zinc/36/37/27/1137363727.db2.gz CYWKQBJBXAXHDK-UHFFFAOYSA-N -1 3 328.803 3.762 20 10 EHCDHM O=C(NCc1cccc(-c2cccs2)c1)c1cccc(O)c1[O-] ZINC001148224101 1137419952 /nfs/dbraw/zinc/41/99/52/1137419952.db2.gz BXMQJEBRKAHWSE-UHFFFAOYSA-N -1 3 325.389 3.756 20 10 EHCDHM CC(=O)Nc1ccc2c(c1)CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC000877816322 1137691223 /nfs/dbraw/zinc/69/12/23/1137691223.db2.gz BXWFXTSCFYTMNF-UHFFFAOYSA-N -1 3 330.815 3.562 20 10 EHCDHM COCCn1ncc2ccc(N[C@@H](C)c3c([O-])cccc3F)cc21 ZINC000886584558 1138099526 /nfs/dbraw/zinc/09/95/26/1138099526.db2.gz RIEIQNIYIDDMPG-LBPRGKRZSA-N -1 3 329.375 3.701 20 10 EHCDHM C[C@@H](NCc1ccncc1OCC(F)(F)F)c1c([O-])cccc1F ZINC000886605204 1138101002 /nfs/dbraw/zinc/10/10/02/1138101002.db2.gz LRNVSWNOTUBSIY-SNVBAGLBSA-N -1 3 344.308 3.718 20 10 EHCDHM CC[C@H](N[C@H](CCO)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000886803538 1138144282 /nfs/dbraw/zinc/14/42/82/1138144282.db2.gz KNDKYIWZDMTQQO-CMPLNLGQSA-N -1 3 345.283 3.765 20 10 EHCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000174728421 1139438505 /nfs/dbraw/zinc/43/85/05/1139438505.db2.gz SVEBVVRSVBROHK-UHFFFAOYSA-N -1 3 335.425 3.597 20 10 EHCDHM C[C@H](Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000186441503 1140204128 /nfs/dbraw/zinc/20/41/28/1140204128.db2.gz FNGIIXDKQANZQX-LBPRGKRZSA-N -1 3 334.366 3.680 20 10 EHCDHM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)o1 ZINC000186919458 1140228320 /nfs/dbraw/zinc/22/83/20/1140228320.db2.gz RWIWJBJAESTCRS-ABAIWWIYSA-N -1 3 327.380 3.619 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1Cc1ccccc1Cl ZINC000187009544 1140232628 /nfs/dbraw/zinc/23/26/28/1140232628.db2.gz XXBSTXTZHSZMCF-CYBMUJFWSA-N -1 3 331.799 3.599 20 10 EHCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC001593195026 994143852 /nfs/dbraw/zinc/14/38/52/994143852.db2.gz CAROWDOGHKEDHG-VWQQLOEOSA-N -1 3 341.407 3.694 20 10 EHCDHM C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234417 994402787 /nfs/dbraw/zinc/40/27/87/994402787.db2.gz ZPCWGPYDWWJVQK-MEBBXXQBSA-N -1 3 331.799 3.562 20 10 EHCDHM COC[C@H](N[C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC001599174257 996811297 /nfs/dbraw/zinc/81/12/97/996811297.db2.gz UYQKLNXXNRKTMO-BZNIZROVSA-N -1 3 349.814 3.782 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](Cc2nccs2)C1 ZINC000898071214 1033320485 /nfs/dbraw/zinc/32/04/85/1033320485.db2.gz HMTHNXAQDBSDBL-JTQLQIEISA-N -1 3 326.824 3.706 20 10 EHCDHM C[C@@H](c1ccccn1)N(C)Cc1cc(Br)cc(F)c1[O-] ZINC000894421762 1022261064 /nfs/dbraw/zinc/26/10/64/1022261064.db2.gz GMJMHBTYGZAFSM-JTQLQIEISA-N -1 3 339.208 3.882 20 10 EHCDHM CC(C)Oc1ccccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273296465 1027362357 /nfs/dbraw/zinc/36/23/57/1027362357.db2.gz ADYYIAGWFUASLM-CYBMUJFWSA-N -1 3 330.384 3.938 20 10 EHCDHM C[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273529630 1027476353 /nfs/dbraw/zinc/47/63/53/1027476353.db2.gz WCJZAHAKOMZKNK-BMIGLBTASA-N -1 3 332.331 3.614 20 10 EHCDHM CCc1nc([C@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])cs1 ZINC000273622751 1027523134 /nfs/dbraw/zinc/52/31/34/1027523134.db2.gz ZOHLTKZAAZWTOK-MNOVXSKESA-N -1 3 334.441 3.610 20 10 EHCDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1cn(-c2ccccc2)nn1 ZINC000186112870 1035585536 /nfs/dbraw/zinc/58/55/36/1035585536.db2.gz ICHBAFKGVAPYSU-QWHCGFSZSA-N -1 3 326.375 3.524 20 10 EHCDHM C[C@H](NCc1nnc(-c2ccccc2)s1)c1ccc(F)cc1[O-] ZINC000186105184 1035586140 /nfs/dbraw/zinc/58/61/40/1035586140.db2.gz GSGXPAMHKHIVQE-NSHDSACASA-N -1 3 329.400 3.901 20 10 EHCDHM Cn1cc([C@@H](NCc2cccc(Cl)c2[O-])c2ccc(F)cc2)cn1 ZINC000187527049 1035836266 /nfs/dbraw/zinc/83/62/66/1035836266.db2.gz VLRYXVXUVVPDEJ-KRWDZBQOSA-N -1 3 345.805 3.797 20 10 EHCDHM CCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(C)c1 ZINC000278921067 1042952395 /nfs/dbraw/zinc/95/23/95/1042952395.db2.gz UTRRAELHBLCOJL-UHFFFAOYSA-N -1 3 332.356 3.628 20 10 EHCDHM O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1cccc(O)c1[O-] ZINC000762428589 1121295976 /nfs/dbraw/zinc/29/59/76/1121295976.db2.gz QWJAAKYDRAFFHO-UHFFFAOYSA-N -1 3 330.340 3.613 20 10 EHCDHM COc1ncc(C)cc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168523387 1122698567 /nfs/dbraw/zinc/69/85/67/1122698567.db2.gz NZHNGJAMYFEVKF-UHFFFAOYSA-N -1 3 329.787 3.918 20 10 EHCDHM COc1cccc(F)c1[C@@H](C)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000179939617 1123900357 /nfs/dbraw/zinc/90/03/57/1123900357.db2.gz QCCXHCHQXQTXCM-SNVBAGLBSA-N -1 3 335.350 3.732 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccccc2CC(F)(F)F)c([O-])c1O ZINC000182512791 1125322932 /nfs/dbraw/zinc/32/29/32/1125322932.db2.gz IYIMBCRTCPFYAR-UHFFFAOYSA-N -1 3 325.286 3.763 20 10 EHCDHM Nc1ccc2c(c1Nc1cccc([O-])c1F)C(=O)c1ccccc1C2=O ZINC001212552266 1130370267 /nfs/dbraw/zinc/37/02/67/1130370267.db2.gz ITFAAAFGNDZQRP-UHFFFAOYSA-N -1 3 348.333 3.633 20 10 EHCDHM CCN(Cc1cc(Br)ccc1[O-])CC(F)(F)C(F)F ZINC000743871187 1131994639 /nfs/dbraw/zinc/99/46/39/1131994639.db2.gz VJWWGLONXSKPSI-UHFFFAOYSA-N -1 3 344.146 3.877 20 10 EHCDHM COc1cc2c(cc1NCc1c([O-])cccc1Cl)NC(=O)CC2 ZINC000766465322 1132552832 /nfs/dbraw/zinc/55/28/32/1132552832.db2.gz DVWCPNAFWAIEPD-UHFFFAOYSA-N -1 3 332.787 3.551 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)c1cc(F)c(Cl)cc1Cl ZINC001178410028 1133167670 /nfs/dbraw/zinc/16/76/70/1133167670.db2.gz JOPCAUFECLQMNB-UHFFFAOYSA-N -1 3 332.133 3.907 20 10 EHCDHM O=C(Cc1scnc1-c1ccccc1)NCc1c([O-])cccc1F ZINC001178413214 1133167695 /nfs/dbraw/zinc/16/76/95/1133167695.db2.gz OUJWEHCKVIOSAZ-UHFFFAOYSA-N -1 3 342.395 3.514 20 10 EHCDHM CC(C)(C(=O)NCc1cc(Cl)c2cccnc2c1[O-])C(F)(F)F ZINC001180448917 1133377030 /nfs/dbraw/zinc/37/70/30/1133377030.db2.gz CXNRNTJRPWGMOS-UHFFFAOYSA-N -1 3 346.736 3.799 20 10 EHCDHM CCc1ccc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000786839266 1133907354 /nfs/dbraw/zinc/90/73/54/1133907354.db2.gz YJFGOCOVXPBKLA-UHFFFAOYSA-N -1 3 326.440 3.683 20 10 EHCDHM COc1c([O-])c(CNc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000774913566 1134119327 /nfs/dbraw/zinc/11/93/27/1134119327.db2.gz FMDUWFNVDJZDQL-UHFFFAOYSA-N -1 3 340.282 3.523 20 10 EHCDHM COc1ccccc1-c1nnc(NCc2c([O-])cccc2Cl)o1 ZINC000789878407 1134339734 /nfs/dbraw/zinc/33/97/34/1134339734.db2.gz LYSCPTCQPZUCFU-UHFFFAOYSA-N -1 3 331.759 3.716 20 10 EHCDHM [O-]c1c(Br)cccc1CNCc1cc(F)c(F)cc1F ZINC000775150976 1134397405 /nfs/dbraw/zinc/39/74/05/1134397405.db2.gz CVNUUGHIAYOHDL-UHFFFAOYSA-N -1 3 346.146 3.862 20 10 EHCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000790416347 1134414106 /nfs/dbraw/zinc/41/41/06/1134414106.db2.gz UURBOBUBKWSPDJ-UHFFFAOYSA-N -1 3 331.437 3.634 20 10 EHCDHM CCC(=O)Nc1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790948916 1134483952 /nfs/dbraw/zinc/48/39/52/1134483952.db2.gz NIKOBPLCWUFDJJ-UHFFFAOYSA-N -1 3 336.794 3.823 20 10 EHCDHM CCn1c(CNCc2c([O-])ccc(Cl)c2F)nc2ccccc21 ZINC000790959968 1134485611 /nfs/dbraw/zinc/48/56/11/1134485611.db2.gz OQDPXGSEWXHVOU-UHFFFAOYSA-N -1 3 333.794 3.844 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N(CCC(F)(F)F)Cc1ccccc1 ZINC000791333839 1134532642 /nfs/dbraw/zinc/53/26/42/1134532642.db2.gz VVPMYBPIYVQGNK-UHFFFAOYSA-N -1 3 339.313 3.693 20 10 EHCDHM CCCCn1ncc(NC(=O)c2ccc(C)c(O)c2[O-])c1C(C)C ZINC000791652402 1134585978 /nfs/dbraw/zinc/58/59/78/1134585978.db2.gz NXUDPESYEVLBOC-UHFFFAOYSA-N -1 3 331.416 3.779 20 10 EHCDHM COC(=O)C(C)(C)[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792174367 1134663383 /nfs/dbraw/zinc/66/33/83/1134663383.db2.gz UHCHBFRNVVIMPQ-NSHDSACASA-N -1 3 343.826 3.596 20 10 EHCDHM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cccc(Br)c1[O-] ZINC000793231325 1134879829 /nfs/dbraw/zinc/87/98/29/1134879829.db2.gz MILXBZJZAWJAQO-WPRPVWTQSA-N -1 3 338.167 3.927 20 10 EHCDHM CN1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](c2ccccc2)C1 ZINC000775633812 1135364119 /nfs/dbraw/zinc/36/41/19/1135364119.db2.gz LECZHAGEHRQWAM-QGZVFWFLSA-N -1 3 334.822 3.673 20 10 EHCDHM CCN(CC)c1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000806563608 1135460970 /nfs/dbraw/zinc/46/09/70/1135460970.db2.gz VDSPEUGSTWBSQC-YVMONPNESA-N -1 3 346.434 3.849 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](Oc3ccccc3)C2)c1[O-] ZINC001196292813 1135543792 /nfs/dbraw/zinc/54/37/92/1135543792.db2.gz AJWWUSVWMFRSTE-QGZVFWFLSA-N -1 3 345.826 3.902 20 10 EHCDHM CCCNC(=O)OC[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000809726657 1135880093 /nfs/dbraw/zinc/88/00/93/1135880093.db2.gz RRSXFVJYBOZDKB-CQSZACIVSA-N -1 3 340.851 3.536 20 10 EHCDHM CCOCc1nc([C@H](C)N[C@@H](CC)c2cc(Cl)ccc2[O-])no1 ZINC000810256462 1135949535 /nfs/dbraw/zinc/94/95/35/1135949535.db2.gz ZYAFHILKHLLEAP-GWCFXTLKSA-N -1 3 339.823 3.767 20 10 EHCDHM C[C@@H](NCc1cccc([O-])c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000815118419 1136551988 /nfs/dbraw/zinc/55/19/88/1136551988.db2.gz HHWIMFMNKFSSOA-CQSZACIVSA-N -1 3 346.858 3.733 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CNCc1nnc(-c2ccccc2)s1 ZINC000816556926 1136736372 /nfs/dbraw/zinc/73/63/72/1136736372.db2.gz YNIMGHCKYYVLLQ-UHFFFAOYSA-N -1 3 349.818 3.993 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H]1COc2cc(F)cc(F)c21 ZINC000816569000 1136737978 /nfs/dbraw/zinc/73/79/78/1136737978.db2.gz WBDBVINRGGFWNU-GFCCVEGCSA-N -1 3 329.705 3.686 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000816615992 1136741731 /nfs/dbraw/zinc/74/17/31/1136741731.db2.gz LNOYLYMJVOTOOW-CVEARBPZSA-N -1 3 325.811 3.718 20 10 EHCDHM Cc1cc([O-])c(CN2CCN([C@H](C)c3cccnc3)CC2)cc1Cl ZINC000824813723 1137153579 /nfs/dbraw/zinc/15/35/79/1137153579.db2.gz IJNOKKZQPORODU-OAHLLOKOSA-N -1 3 345.874 3.628 20 10 EHCDHM CO[C@@H](C)c1nc(CNCc2cc(Cl)c(C)cc2[O-])cs1 ZINC000825326511 1137173231 /nfs/dbraw/zinc/17/32/31/1137173231.db2.gz RDIWJJQCSRASAA-JTQLQIEISA-N -1 3 326.849 3.808 20 10 EHCDHM CCc1cc(Br)cc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148218967 1137419883 /nfs/dbraw/zinc/41/98/83/1137419883.db2.gz PPSZSNKBVFQYJM-UHFFFAOYSA-N -1 3 336.185 3.675 20 10 EHCDHM O=C(Nc1cc2[nH]ccc2cc1Br)c1cccc(O)c1[O-] ZINC001148218381 1137419910 /nfs/dbraw/zinc/41/99/10/1137419910.db2.gz AEGSUWUDXDNSHH-UHFFFAOYSA-N -1 3 347.168 3.594 20 10 EHCDHM CN(C(=O)c1cc(O)c([O-])c(O)c1)C(c1ccccc1)c1ccccc1 ZINC001148579821 1137428921 /nfs/dbraw/zinc/42/89/21/1137428921.db2.gz ABXIPGOTEOBSIM-UHFFFAOYSA-N -1 3 349.386 3.665 20 10 EHCDHM COc1cc(F)c([C@H](C)NCc2ccc(F)c(F)c2[O-])cc1OC ZINC000877035262 1137668310 /nfs/dbraw/zinc/66/83/10/1137668310.db2.gz FXGSZJHKSRBYGY-VIFPVBQESA-N -1 3 341.329 3.678 20 10 EHCDHM CC1(C)CN(Cc2ccc(Br)cc2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000825943726 1137671866 /nfs/dbraw/zinc/67/18/66/1137671866.db2.gz JAIFXSHDWUAWGQ-LSDHHAIUSA-N -1 3 340.261 3.544 20 10 EHCDHM CC(C)COC[C@H](NCc1cc(F)cc(F)c1[O-])c1ccco1 ZINC000882951693 1137839540 /nfs/dbraw/zinc/83/95/40/1137839540.db2.gz QWARHVLWPUOFON-HNNXBMFYSA-N -1 3 325.355 3.767 20 10 EHCDHM COc1cc2c(cc1CN[C@H](C)c1c([O-])cccc1F)O[C@@H](C)C2 ZINC000886500318 1138084466 /nfs/dbraw/zinc/08/44/66/1138084466.db2.gz PEAZLYJQPUURRW-NWDGAFQWSA-N -1 3 331.387 3.714 20 10 EHCDHM CCCNC(=O)c1cccc(CN[C@H](C)c2c([O-])cccc2F)c1 ZINC000886505025 1138085249 /nfs/dbraw/zinc/08/52/49/1138085249.db2.gz FPTFHPHFZAKEOW-CYBMUJFWSA-N -1 3 330.403 3.522 20 10 EHCDHM Cc1ccc(N2CCOC2=O)cc1N[C@H](C)c1c([O-])cccc1F ZINC000886586278 1138099688 /nfs/dbraw/zinc/09/96/88/1138099688.db2.gz OUEVPWTUOUDDRW-GFCCVEGCSA-N -1 3 330.359 3.969 20 10 EHCDHM CCS(=O)(=O)Cc1ccc(N[C@H](C)c2c([O-])cccc2F)cc1 ZINC000886622033 1138103401 /nfs/dbraw/zinc/10/34/01/1138103401.db2.gz IWUKIOBOGBCTKU-GFCCVEGCSA-N -1 3 337.416 3.639 20 10 EHCDHM Cc1noc([C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000091832808 1138222101 /nfs/dbraw/zinc/22/21/01/1138222101.db2.gz KANPBUXJGFLNPZ-SNVBAGLBSA-N -1 3 342.226 3.770 20 10 EHCDHM [O-]c1ccc(Br)cc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000092728319 1138231135 /nfs/dbraw/zinc/23/11/35/1138231135.db2.gz SKKCYNZTSSJEPV-CYBMUJFWSA-N -1 3 336.233 3.605 20 10 EHCDHM C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1ccc(F)cc1[O-] ZINC000186466857 1140205252 /nfs/dbraw/zinc/20/52/52/1140205252.db2.gz YXOKCXGLBNDDAH-KBPBESRZSA-N -1 3 330.403 3.930 20 10 EHCDHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000187206518 1140244333 /nfs/dbraw/zinc/24/43/33/1140244333.db2.gz QZMTWIVJDTVJCA-LLVKDONJSA-N -1 3 334.441 3.819 20 10 EHCDHM CCc1cccc(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c1O ZINC001597586838 988406556 /nfs/dbraw/zinc/40/65/56/988406556.db2.gz LUMMZOOCNBHDNS-CQSZACIVSA-N -1 3 346.452 3.755 20 10 EHCDHM CC(C)(CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001590687783 990403026 /nfs/dbraw/zinc/40/30/26/990403026.db2.gz TWRPOFVOJXGCCC-UHFFFAOYSA-N -1 3 343.423 3.562 20 10 EHCDHM C[C@@H]([NH2+]CCCSc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593267198 994586289 /nfs/dbraw/zinc/58/62/89/994586289.db2.gz MVOPGAHQFRTMOW-CYBMUJFWSA-N -1 3 331.437 3.923 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(Br)cc2F)c([O-])c1O ZINC000179384245 1030596204 /nfs/dbraw/zinc/59/62/04/1030596204.db2.gz DMBFTAMRBXYRGT-UHFFFAOYSA-N -1 3 340.148 3.560 20 10 EHCDHM C[C@@H](N[C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc(F)cc1[O-] ZINC000186112851 1035586685 /nfs/dbraw/zinc/58/66/85/1035586685.db2.gz ICHBAFKGVAPYSU-OLZOCXBDSA-N -1 3 326.375 3.524 20 10 EHCDHM [O-]c1ccc(Cl)cc1CN1CCSC[C@@H]1c1nccs1 ZINC000186645188 1035677878 /nfs/dbraw/zinc/67/78/78/1035677878.db2.gz UGGIBQQVUVKSQO-GFCCVEGCSA-N -1 3 326.874 3.792 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(OC3CCC3)CC2)c1[O-] ZINC000842162839 1039489274 /nfs/dbraw/zinc/48/92/74/1039489274.db2.gz ZJOBDFIYUOZSKS-UHFFFAOYSA-N -1 3 337.847 3.782 20 10 EHCDHM CCCOc1nccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168521752 1122359651 /nfs/dbraw/zinc/35/96/51/1122359651.db2.gz IZZXZSFLLGBSHE-UHFFFAOYSA-N -1 3 344.802 3.785 20 10 EHCDHM Cc1cc(N(C)C)ncc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168524089 1122871194 /nfs/dbraw/zinc/87/11/94/1122871194.db2.gz VQWPAPTWLUGHME-UHFFFAOYSA-N -1 3 342.830 3.975 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN[C@H](CO)c1ccc(F)cc1 ZINC000734850859 1131287175 /nfs/dbraw/zinc/28/71/75/1131287175.db2.gz PKMDQVFINIBLAB-CQSZACIVSA-N -1 3 330.186 3.661 20 10 EHCDHM [O-]c1c(F)cc(Br)cc1CN1CCCC(F)(F)CC1 ZINC000715818716 1129602935 /nfs/dbraw/zinc/60/29/35/1129602935.db2.gz QNZLEANRUAGOJN-UHFFFAOYSA-N -1 3 338.167 3.915 20 10 EHCDHM Cc1c(NCc2c([O-])cccc2Cl)nnn1Cc1ccccc1F ZINC001178881844 1133206537 /nfs/dbraw/zinc/20/65/37/1133206537.db2.gz LWSALOGNFNJCJJ-UHFFFAOYSA-N -1 3 346.793 3.745 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(C)cc(OC)c2C)c1 ZINC000786953031 1133925158 /nfs/dbraw/zinc/92/51/58/1133925158.db2.gz WUKJZBUKNSNKQJ-ZDUSSCGKSA-N -1 3 329.396 3.977 20 10 EHCDHM COc1c([O-])c(CNc2ccc3c(c2)CC(C)(C)O3)ccc1[N+](=O)[O-] ZINC000775048603 1134254577 /nfs/dbraw/zinc/25/45/77/1134254577.db2.gz LHUIHQZPGZDEBT-UHFFFAOYSA-N -1 3 344.367 3.635 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](CC(F)(F)F)C2)c1[O-] ZINC000775138860 1134368329 /nfs/dbraw/zinc/36/83/29/1134368329.db2.gz VPCPESKXZJCLPJ-QMMMGPOBSA-N -1 3 338.713 3.728 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000790947322 1134483176 /nfs/dbraw/zinc/48/31/76/1134483176.db2.gz YNQQZHUPYTTZSJ-NXHRZFHOSA-N -1 3 337.419 3.896 20 10 EHCDHM CC1CCN(c2ccc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)CC1 ZINC000853300379 1136524636 /nfs/dbraw/zinc/52/46/36/1136524636.db2.gz LRTPONAYUOKGCA-UHFFFAOYSA-N -1 3 342.399 3.544 20 10 EHCDHM C[C@H](NCc1ncn(-c2ccccc2)n1)c1ccc2ccccc2c1[O-] ZINC000815657656 1136622946 /nfs/dbraw/zinc/62/29/46/1136622946.db2.gz FAYNMOQPWFKOOX-HNNXBMFYSA-N -1 3 344.418 3.977 20 10 EHCDHM CCO[C@@H](C)c1noc(CN(C)Cc2ccc3ccccc3c2[O-])n1 ZINC000816516733 1136729788 /nfs/dbraw/zinc/72/97/88/1136729788.db2.gz OKKBKVCTDVPOCA-ZDUSSCGKSA-N -1 3 341.411 3.658 20 10 EHCDHM COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000818357106 1136875533 /nfs/dbraw/zinc/87/55/33/1136875533.db2.gz VPLHUDZFASIJQR-DTWKUNHWSA-N -1 3 340.832 3.701 20 10 EHCDHM CC[C@@H](N[C@@H]1c2ccccc2CN(C)C1=O)c1cccc(Cl)c1[O-] ZINC000857878520 1136917435 /nfs/dbraw/zinc/91/74/35/1136917435.db2.gz ZQPFEUUUEZHTQK-IAGOWNOFSA-N -1 3 344.842 3.800 20 10 EHCDHM CC[C@@H](N[C@H]1c2ccccc2CN(C)C1=O)c1cccc(Cl)c1[O-] ZINC000857878522 1136917532 /nfs/dbraw/zinc/91/75/32/1136917532.db2.gz ZQPFEUUUEZHTQK-SJORKVTESA-N -1 3 344.842 3.800 20 10 EHCDHM Cc1ccc(O[C@@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)nc1 ZINC000858012668 1136931207 /nfs/dbraw/zinc/93/12/07/1136931207.db2.gz KQBYIUSRBASPPI-CQSZACIVSA-N -1 3 336.794 3.541 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1[O-] ZINC000120613633 1137293805 /nfs/dbraw/zinc/29/38/05/1137293805.db2.gz CUDMGTCUUVIWEE-PIGZYNQJSA-N -1 3 349.427 3.757 20 10 EHCDHM CCCCN(C)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC001144735380 1137340176 /nfs/dbraw/zinc/34/01/76/1137340176.db2.gz JPHKNQWEZPPHAQ-UHFFFAOYSA-N -1 3 328.412 3.895 20 10 EHCDHM COCc1cc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])ccc1OC ZINC000866499675 1137358976 /nfs/dbraw/zinc/35/89/76/1137358976.db2.gz OTDBOIWNARXYET-GFCCVEGCSA-N -1 3 345.395 3.507 20 10 EHCDHM Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(C)cc(Br)c1[O-])N2 ZINC000877862435 1137693981 /nfs/dbraw/zinc/69/39/81/1137693981.db2.gz KRFRDVRBSLGTDH-HNNXBMFYSA-N -1 3 347.212 3.626 20 10 EHCDHM O=C(NCc1ccccc1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001202636749 1137903341 /nfs/dbraw/zinc/90/33/41/1137903341.db2.gz KSVKPOPEPPOOPT-UHFFFAOYSA-N -1 3 341.798 3.593 20 10 EHCDHM CC[C@H](N[C@@H](C)c1c([O-])cccc1F)c1nnc2n1CCCCC2 ZINC000886520449 1138088852 /nfs/dbraw/zinc/08/88/52/1138088852.db2.gz FEKGQPSQRXGYLR-JSGCOSHPSA-N -1 3 332.423 3.651 20 10 EHCDHM COc1ccc(OC(F)F)c(CN[C@H](C)c2c([O-])cccc2F)c1 ZINC000886538773 1138093075 /nfs/dbraw/zinc/09/30/75/1138093075.db2.gz NRQDONUBTOBFRJ-SNVBAGLBSA-N -1 3 341.329 3.992 20 10 EHCDHM Cc1cc(N2CCOCC2)ccc1N[C@H](C)c1c([O-])cccc1F ZINC000886563958 1138097724 /nfs/dbraw/zinc/09/77/24/1138097724.db2.gz JRCCGGJZHPBHBQ-CQSZACIVSA-N -1 3 330.403 3.849 20 10 EHCDHM Cc1ccc(N2CCOCC2)cc1N[C@@H](C)c1c([O-])cccc1F ZINC000886605113 1138100927 /nfs/dbraw/zinc/10/09/27/1138100927.db2.gz JSXMQDLDBRTGNA-AWEZNQCLSA-N -1 3 330.403 3.849 20 10 EHCDHM C[C@@H](Nc1ccc(CCNC(=O)N(C)C)cc1)c1c([O-])cccc1F ZINC000886644530 1138105394 /nfs/dbraw/zinc/10/53/94/1138105394.db2.gz FOQJPVXJKUQIFP-CYBMUJFWSA-N -1 3 345.418 3.518 20 10 EHCDHM CC[C@H](N[C@@H](CCO)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000886803539 1138144286 /nfs/dbraw/zinc/14/42/86/1138144286.db2.gz KNDKYIWZDMTQQO-JQWIXIFHSA-N -1 3 345.283 3.765 20 10 EHCDHM C[C@@H](Nc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1[O-] ZINC000186441520 1140203988 /nfs/dbraw/zinc/20/39/88/1140203988.db2.gz FNGIIXDKQANZQX-GFCCVEGCSA-N -1 3 334.366 3.680 20 10 EHCDHM C[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598530858 992778830 /nfs/dbraw/zinc/77/88/30/992778830.db2.gz WDXOZNHHISSNBO-OAHLLOKOSA-N -1 3 339.313 3.669 20 10 EHCDHM C[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598530858 992778834 /nfs/dbraw/zinc/77/88/34/992778834.db2.gz WDXOZNHHISSNBO-OAHLLOKOSA-N -1 3 339.313 3.669 20 10 EHCDHM C[C@@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593266368 994579110 /nfs/dbraw/zinc/57/91/10/994579110.db2.gz CVTVYMILQHWFJT-CABCVRRESA-N -1 3 343.423 3.909 20 10 EHCDHM CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599063436 999282380 /nfs/dbraw/zinc/28/23/80/999282380.db2.gz JTLDDGDTHDFBTA-SOZUMNATSA-N -1 3 347.386 3.656 20 10 EHCDHM C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc(Cl)ccc1[O-] ZINC000377914500 1018546574 /nfs/dbraw/zinc/54/65/74/1018546574.db2.gz MSBODMPBZPSFTD-LBPRGKRZSA-N -1 3 346.862 3.872 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCC(OC2CCC2)CC1 ZINC000841889011 1032875499 /nfs/dbraw/zinc/87/54/99/1032875499.db2.gz XILRRLUOEXXKMX-UHFFFAOYSA-N -1 3 340.261 3.688 20 10 EHCDHM CCN(CC)c1ccc(CNCc2ccccc2CC(=O)[O-])cc1F ZINC000277002604 1023672051 /nfs/dbraw/zinc/67/20/51/1023672051.db2.gz LLAMDSAYDQBSNS-UHFFFAOYSA-N -1 3 344.430 3.589 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CNC1(c2ccc3c(c2)OCCO3)CC1 ZINC000897862173 1033212149 /nfs/dbraw/zinc/21/21/49/1033212149.db2.gz AGTPWDNNEBPJGU-UHFFFAOYSA-N -1 3 349.789 3.735 20 10 EHCDHM [O-]c1cc(F)c(F)cc1CN1CC2(CC(OCc3ccccc3)C2)C1 ZINC001142527088 1033271855 /nfs/dbraw/zinc/27/18/55/1033271855.db2.gz KICREERUIFVGNR-UHFFFAOYSA-N -1 3 345.389 3.852 20 10 EHCDHM Cc1cc([O-])c(CN2CCn3c(cnc3C(F)(F)F)C2)cc1Cl ZINC000896932736 1026109969 /nfs/dbraw/zinc/10/99/69/1026109969.db2.gz ZTEBKOPSVUNMBL-UHFFFAOYSA-N -1 3 345.752 3.585 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(OC)c(OC)cc2F)c1 ZINC000273475425 1027446955 /nfs/dbraw/zinc/44/69/55/1027446955.db2.gz KQHFEOLRQUPTMJ-SNVBAGLBSA-N -1 3 349.358 3.508 20 10 EHCDHM NC(=O)CCSc1ccccc1NCc1c([O-])cccc1Cl ZINC000130043428 1034255585 /nfs/dbraw/zinc/25/55/85/1034255585.db2.gz QZMCUVFAWGIXBD-UHFFFAOYSA-N -1 3 336.844 3.625 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)c([O-])c1O ZINC000177667891 1035310585 /nfs/dbraw/zinc/31/05/85/1035310585.db2.gz YSESHMGYUIDOHR-UHFFFAOYSA-N -1 3 326.377 3.782 20 10 EHCDHM Cc1noc(C)c1CN[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756457910 1038824826 /nfs/dbraw/zinc/82/48/26/1038824826.db2.gz HYTRJAICEMERTL-SSDOTTSWSA-N -1 3 343.196 3.749 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000893918191 1039824809 /nfs/dbraw/zinc/82/48/09/1039824809.db2.gz IEYNXJMYEHVQOU-SFHVURJKSA-N -1 3 333.378 3.616 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN[C@@H](CO)c1ccc(F)cc1 ZINC000734850858 1131286793 /nfs/dbraw/zinc/28/67/93/1131286793.db2.gz PKMDQVFINIBLAB-AWEZNQCLSA-N -1 3 330.186 3.661 20 10 EHCDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H](c2ccccc2)C1 ZINC000768235584 1133116684 /nfs/dbraw/zinc/11/66/84/1133116684.db2.gz AIHXAJPKULXMHQ-QGZVFWFLSA-N -1 3 348.240 3.728 20 10 EHCDHM CC[C@H](Oc1ccccc1Cl)C(=O)NCc1c([O-])cccc1F ZINC001178413748 1133167804 /nfs/dbraw/zinc/16/78/04/1133167804.db2.gz YIZBBPXKVOLNMO-HNNXBMFYSA-N -1 3 337.778 3.659 20 10 EHCDHM C[C@@H](NCc1ncccc1N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815627416 1133352007 /nfs/dbraw/zinc/35/20/07/1133352007.db2.gz ACVZGFPSBAKAAA-LLVKDONJSA-N -1 3 339.361 3.723 20 10 EHCDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000787289144 1133985359 /nfs/dbraw/zinc/98/53/59/1133985359.db2.gz DQKRJZOAMFQRRG-CYBMUJFWSA-N -1 3 336.794 3.623 20 10 EHCDHM COc1c([O-])c(CNc2ccccc2OCC(C)C)ccc1[N+](=O)[O-] ZINC000774928733 1134135475 /nfs/dbraw/zinc/13/54/75/1134135475.db2.gz JKNOXIZXJOTBIP-UHFFFAOYSA-N -1 3 346.383 3.956 20 10 EHCDHM COc1c([O-])c(CNc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000774935923 1134141325 /nfs/dbraw/zinc/14/13/25/1134141325.db2.gz PSUCENGLUDAYOB-UHFFFAOYSA-N -1 3 342.273 3.940 20 10 EHCDHM CC(C)c1ccc(C[C@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000790935074 1134480155 /nfs/dbraw/zinc/48/01/55/1134480155.db2.gz RAEKQLRXILAERT-MRXNPFEDSA-N -1 3 339.435 3.926 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000790947319 1134483071 /nfs/dbraw/zinc/48/30/71/1134483071.db2.gz YNQQZHUPYTTZSJ-KBAYOESNSA-N -1 3 337.419 3.896 20 10 EHCDHM CC(C)[C@@H](NCc1c([O-])ccc(Cl)c1F)c1nnc2ccccn21 ZINC000790955250 1134484816 /nfs/dbraw/zinc/48/48/16/1134484816.db2.gz PDFQGFQTKYXYTL-MRXNPFEDSA-N -1 3 348.809 3.714 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cccc2c1OCCCO2 ZINC000790977439 1134495052 /nfs/dbraw/zinc/49/50/52/1134495052.db2.gz MHLUXWFZYRTXEW-UHFFFAOYSA-N -1 3 337.778 3.636 20 10 EHCDHM CC[C@H](NCc1n[nH]cc1Br)c1cc(Cl)ccc1[O-] ZINC000775510036 1134973443 /nfs/dbraw/zinc/97/34/43/1134973443.db2.gz UNUVKVDDRJRKPH-NSHDSACASA-N -1 3 344.640 3.772 20 10 EHCDHM COC(=O)c1ccc(CN(C)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775655111 1135420517 /nfs/dbraw/zinc/42/05/17/1135420517.db2.gz VIKMPAQPBOZRDT-UHFFFAOYSA-N -1 3 337.778 3.603 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CNCc1cccc(C(F)(F)F)n1 ZINC001202475308 1136183235 /nfs/dbraw/zinc/18/32/35/1136183235.db2.gz STFKPBLHRYURSG-UHFFFAOYSA-N -1 3 334.700 3.888 20 10 EHCDHM O=C(Nc1cccc(Cl)c1OCC(F)F)c1cccc(O)c1[O-] ZINC000813782226 1136361877 /nfs/dbraw/zinc/36/18/77/1136361877.db2.gz YUBRKOBVOOTUSD-UHFFFAOYSA-N -1 3 343.713 3.647 20 10 EHCDHM CC[C@@H](NCc1ncn(-c2ccccc2)n1)c1cc(Cl)ccc1[O-] ZINC000815657550 1136622834 /nfs/dbraw/zinc/62/28/34/1136622834.db2.gz BJVIYBICGUUFTF-MRXNPFEDSA-N -1 3 342.830 3.867 20 10 EHCDHM CCc1ccc(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000863491708 1137189313 /nfs/dbraw/zinc/18/93/13/1137189313.db2.gz ZLKYXYCKQBIQSG-UHFFFAOYSA-N -1 3 325.408 3.680 20 10 EHCDHM COCCC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144300048 1137268847 /nfs/dbraw/zinc/26/88/47/1137268847.db2.gz PWJYWKVYLMWZBR-UHFFFAOYSA-N -1 3 346.240 3.542 20 10 EHCDHM C[C@@H](NCc1nn(C)cc1C(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000866568260 1137365690 /nfs/dbraw/zinc/36/56/90/1137365690.db2.gz SJGYOXTUUHEJRZ-MRVPVSSYSA-N -1 3 349.303 3.933 20 10 EHCDHM O=c1c(NCc2cc3ccccc3cc2[O-])cccn1-c1cccnc1 ZINC001171406949 1137473013 /nfs/dbraw/zinc/47/30/13/1137473013.db2.gz HOSRZMMYJONNMZ-UHFFFAOYSA-N -1 3 343.386 3.703 20 10 EHCDHM C[C@H](NC1(c2ncccn2)CCC1)c1ccc(Br)cc1[O-] ZINC000883312063 1137854122 /nfs/dbraw/zinc/85/41/22/1137854122.db2.gz SJBSMPFGVSHMQK-NSHDSACASA-N -1 3 348.244 3.675 20 10 EHCDHM Cc1ccc(CN[C@H](C)c2c([O-])cccc2F)c(N2CCCC2)n1 ZINC000886587911 1138100039 /nfs/dbraw/zinc/10/00/39/1138100039.db2.gz IDXUCMSDMKNEAQ-CQSZACIVSA-N -1 3 329.419 3.686 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1Cc1ccccc1Cl ZINC000187009526 1140232581 /nfs/dbraw/zinc/23/25/81/1140232581.db2.gz XXBSTXTZHSZMCF-ZDUSSCGKSA-N -1 3 331.799 3.599 20 10 EHCDHM CC(C)C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001588887604 962188182 /nfs/dbraw/zinc/18/81/82/962188182.db2.gz ZAIAJRQUWUUPAG-GOSISDBHSA-N -1 3 343.423 3.560 20 10 EHCDHM CCC(CC)(CC(=O)[O-])[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC001595057248 979298545 /nfs/dbraw/zinc/29/85/45/979298545.db2.gz HNDRWESSNNVKNQ-UHFFFAOYSA-N -1 3 344.249 3.586 20 10 EHCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595747690 982416096 /nfs/dbraw/zinc/41/60/96/982416096.db2.gz IUYNZVJGGGOQPR-SFHVURJKSA-N -1 3 331.387 3.959 20 10 EHCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595747690 982416099 /nfs/dbraw/zinc/41/60/99/982416099.db2.gz IUYNZVJGGGOQPR-SFHVURJKSA-N -1 3 331.387 3.959 20 10 EHCDHM COc1ccc(O)c([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599598504 993781126 /nfs/dbraw/zinc/78/11/26/993781126.db2.gz NZMQNZKLNUKDSU-QLJPJBMISA-N -1 3 335.787 3.531 20 10 EHCDHM C[C@H](NCc1cc(F)c(Cl)cc1F)c1cc(C(=O)[O-])ccc1O ZINC001593292470 994677604 /nfs/dbraw/zinc/67/76/04/994677604.db2.gz MFKLHYKZMKJQFT-QMMMGPOBSA-N -1 3 341.741 3.873 20 10 EHCDHM COc1ccc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC000320720992 1030540172 /nfs/dbraw/zinc/54/01/72/1030540172.db2.gz IOPGWALSACRKRQ-UHFFFAOYSA-N -1 3 333.815 3.889 20 10 EHCDHM Cc1cc(Br)c([O-])c(CN2CC(Cc3ccco3)C2)c1 ZINC000529648903 1034352075 /nfs/dbraw/zinc/35/20/75/1034352075.db2.gz LEHIASHEARGUEJ-UHFFFAOYSA-N -1 3 336.229 3.731 20 10 EHCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C(F)(F)F ZINC000182419500 1038597499 /nfs/dbraw/zinc/59/74/99/1038597499.db2.gz KOAMSFSKLMVMCG-UHFFFAOYSA-N -1 3 331.315 3.520 20 10 EHCDHM COc1cccc([C@H]2CN(Cc3c([O-])cccc3Cl)CCO2)c1 ZINC000131664409 1128525320 /nfs/dbraw/zinc/52/53/20/1128525320.db2.gz CCDJJFCIFMWXON-GOSISDBHSA-N -1 3 333.815 3.628 20 10 EHCDHM Cc1noc2ncc(NCc3cc(C)cc(Br)c3[O-])cc12 ZINC000765943471 1128802922 /nfs/dbraw/zinc/80/29/22/1128802922.db2.gz AENDOBGTNCJXOF-UHFFFAOYSA-N -1 3 348.200 3.920 20 10 EHCDHM [O-]c1c(CNc2ncnc3sncc32)cc(Cl)c2cccnc12 ZINC001168521518 1122354768 /nfs/dbraw/zinc/35/47/68/1122354768.db2.gz FTKSIADBCRBOOH-UHFFFAOYSA-N -1 3 343.799 3.606 20 10 EHCDHM COc1nc(C)ccc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522593 1122466318 /nfs/dbraw/zinc/46/63/18/1122466318.db2.gz GEVBDUATXPRQCL-UHFFFAOYSA-N -1 3 329.787 3.918 20 10 EHCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(OC2CCCC2)cc1 ZINC000917716116 1122667828 /nfs/dbraw/zinc/66/78/28/1122667828.db2.gz ONPOHIHBZNIONX-UHFFFAOYSA-N -1 3 333.409 3.514 20 10 EHCDHM Cc1ccc(C(=O)Nc2scnc2-c2ccccc2)c([O-])c1O ZINC000182323028 1125253851 /nfs/dbraw/zinc/25/38/51/1125253851.db2.gz FHKPBSPLLXLKMD-UHFFFAOYSA-N -1 3 326.377 3.782 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001183663214 1133843740 /nfs/dbraw/zinc/84/37/40/1133843740.db2.gz VRJMYPQHHJNEFZ-HNNXBMFYSA-N -1 3 339.769 3.977 20 10 EHCDHM CCCN(Cc1ccccc1O)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787120666 1133954058 /nfs/dbraw/zinc/95/40/58/1133954058.db2.gz KAIGAFMQVRTLOC-UHFFFAOYSA-N -1 3 345.414 3.998 20 10 EHCDHM CN(C)c1ccc(CN(C)C(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000788267820 1134106944 /nfs/dbraw/zinc/10/69/44/1134106944.db2.gz ZJXQLGTVIBJIHB-UHFFFAOYSA-N -1 3 340.448 3.945 20 10 EHCDHM COc1c2ccccc2oc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000788978870 1134205676 /nfs/dbraw/zinc/20/56/76/1134205676.db2.gz AMDWFZXUWLURDQ-LLVKDONJSA-N -1 3 342.351 3.906 20 10 EHCDHM Cc1[nH]nc(NC(=O)c2cccc(O)c2[O-])c1-c1cccc(Cl)c1 ZINC000790787725 1134466236 /nfs/dbraw/zinc/46/62/36/1134466236.db2.gz LCVOCEMVLFPJAG-UHFFFAOYSA-N -1 3 343.770 3.702 20 10 EHCDHM Cn1c(CNCc2c([O-])ccc(Cl)c2F)nc2cc(F)ccc21 ZINC000790968253 1134487016 /nfs/dbraw/zinc/48/70/16/1134487016.db2.gz WQEIBDNYMDBWNW-UHFFFAOYSA-N -1 3 337.757 3.500 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(C)c(C)c1O ZINC000775294821 1134616772 /nfs/dbraw/zinc/61/67/72/1134616772.db2.gz VQHZJNNVDWGVHY-UHFFFAOYSA-N -1 3 345.464 3.997 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCN(C)c3ccccc3C2)c1[O-] ZINC001190801614 1134753338 /nfs/dbraw/zinc/75/33/38/1134753338.db2.gz KFGQEJXIZGYJIU-UHFFFAOYSA-N -1 3 344.842 3.700 20 10 EHCDHM Cc1nc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])sc1C ZINC001192610537 1135038240 /nfs/dbraw/zinc/03/82/40/1135038240.db2.gz KAVNNSSPCGZGIP-UHFFFAOYSA-N -1 3 347.827 3.597 20 10 EHCDHM CC[C@@H](NCc1ncnn1-c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806162970 1135405091 /nfs/dbraw/zinc/40/50/91/1135405091.db2.gz KGSNGWPIOHMCBZ-MRXNPFEDSA-N -1 3 342.830 3.867 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000775738096 1135600291 /nfs/dbraw/zinc/60/02/91/1135600291.db2.gz SCIJXYYVPFKQEH-DZGCQCFKSA-N -1 3 339.794 3.866 20 10 EHCDHM COCCCN(Cc1ccncc1)Cc1c([O-])ccc(Cl)c1F ZINC000809740817 1135883845 /nfs/dbraw/zinc/88/38/45/1135883845.db2.gz JMTHNRFQTVGZKG-UHFFFAOYSA-N -1 3 338.810 3.618 20 10 EHCDHM CCOC(=O)c1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000809742665 1135884222 /nfs/dbraw/zinc/88/42/22/1135884222.db2.gz DEWAXNVAUPGYAH-UHFFFAOYSA-N -1 3 344.194 3.759 20 10 EHCDHM CCc1nnc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000815627871 1136621281 /nfs/dbraw/zinc/62/12/81/1136621281.db2.gz LZCGVSWPSCXJST-QMMMGPOBSA-N -1 3 331.363 3.676 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(OC)c(C)c(OC)c2)c1 ZINC000815631318 1136621288 /nfs/dbraw/zinc/62/12/88/1136621288.db2.gz YRNBSVWPNFWEMV-LBPRGKRZSA-N -1 3 345.395 3.678 20 10 EHCDHM COC(=O)c1cnc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000818356703 1136875849 /nfs/dbraw/zinc/87/58/49/1136875849.db2.gz PVBFUAMMNGDZJK-RKDXNWHRSA-N -1 3 340.832 3.701 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000818578084 1136884800 /nfs/dbraw/zinc/88/48/00/1136884800.db2.gz QXNRACBWZXXAOZ-HXUWFJFHSA-N -1 3 345.398 3.886 20 10 EHCDHM Cc1ccc(O[C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C2)nc1 ZINC000858012430 1136930491 /nfs/dbraw/zinc/93/04/91/1136930491.db2.gz HCNREMGWEFMVNN-LBPRGKRZSA-N -1 3 336.794 3.541 20 10 EHCDHM CCN(CC)c1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)cc1F ZINC000862432440 1137144339 /nfs/dbraw/zinc/14/43/39/1137144339.db2.gz CMIMFJIOESSVQY-UHFFFAOYSA-N -1 3 346.450 3.501 20 10 EHCDHM COCCOc1cc(C)ccc1CN[C@H](C)c1c([O-])cccc1F ZINC000886539050 1138092811 /nfs/dbraw/zinc/09/28/11/1138092811.db2.gz SCZKBYYQAPKECA-CQSZACIVSA-N -1 3 333.403 3.716 20 10 EHCDHM C[C@@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1c([O-])cccc1F ZINC000886585688 1138099420 /nfs/dbraw/zinc/09/94/20/1138099420.db2.gz DFDLYZSZUMMGFJ-ZIAGYGMSSA-N -1 3 330.403 3.930 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCC(OC3CCCC3)CC2)c1[O-] ZINC000175615262 1139503983 /nfs/dbraw/zinc/50/39/83/1139503983.db2.gz MNSMWBDVNUMXNV-UHFFFAOYSA-N -1 3 335.419 3.658 20 10 EHCDHM CN(C)c1ccc(CN(Cc2ccc(C(=O)[O-])s2)C2CC2)cc1 ZINC000830636640 602017364 /nfs/dbraw/zinc/01/73/64/602017364.db2.gz ZSZPSJCGDXVIPI-UHFFFAOYSA-N -1 3 330.453 3.677 20 10 EHCDHM CCO[C@H](CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])C1CCCC1 ZINC001596784373 985245433 /nfs/dbraw/zinc/24/54/33/985245433.db2.gz IRDKWLBAIKHEJM-FZKQIMNGSA-N -1 3 335.444 3.726 20 10 EHCDHM C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593297677 994705224 /nfs/dbraw/zinc/70/52/24/994705224.db2.gz YSSWWCIHIVIDDF-SNVBAGLBSA-N -1 3 339.313 3.960 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(COC(C)(C)C)cc2)c([O-])c1O ZINC000780965840 1032648871 /nfs/dbraw/zinc/64/88/71/1032648871.db2.gz SOKGBEGLBZRYQQ-UHFFFAOYSA-N -1 3 329.396 3.974 20 10 EHCDHM COCCOc1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000894514894 1022442438 /nfs/dbraw/zinc/44/24/38/1022442438.db2.gz QHNMKUKMPLYAIF-UHFFFAOYSA-N -1 3 346.210 3.607 20 10 EHCDHM CN(C)c1ccc([S@](C)(=O)=NCc2c([O-])cccc2Cl)cc1 ZINC000895734224 1024787439 /nfs/dbraw/zinc/78/74/39/1024787439.db2.gz KQYQYSHOAWCGSV-QFIPXVFZSA-N -1 3 338.860 3.769 20 10 EHCDHM CC[C@H](NCc1cnnn1CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000527915007 1031450591 /nfs/dbraw/zinc/45/05/91/1031450591.db2.gz LXRNPGUALINEQH-ZDUSSCGKSA-N -1 3 329.231 3.551 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](Cc2nccs2)C1 ZINC000898071215 1033322717 /nfs/dbraw/zinc/32/27/17/1033322717.db2.gz HMTHNXAQDBSDBL-SNVBAGLBSA-N -1 3 326.824 3.706 20 10 EHCDHM [O-]c1c(Br)cccc1CNc1nc2cc(F)ccc2[nH]1 ZINC000784325524 1036768667 /nfs/dbraw/zinc/76/86/67/1036768667.db2.gz RONYYRJMTOFUCQ-UHFFFAOYSA-N -1 3 336.164 3.782 20 10 EHCDHM CCN(Cc1ncc(C)s1)Cc1cc(Br)ccc1[O-] ZINC000180524278 1036921365 /nfs/dbraw/zinc/92/13/65/1036921365.db2.gz GKFXHJKIASUFLM-UHFFFAOYSA-N -1 3 341.274 3.942 20 10 EHCDHM COCCOc1ccc(F)cc1NCc1c([O-])cccc1Cl ZINC000124073979 1041616192 /nfs/dbraw/zinc/61/61/92/1041616192.db2.gz XVMVXDZYRBDFOH-UHFFFAOYSA-N -1 3 325.767 3.822 20 10 EHCDHM CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1c1ccccc1 ZINC000185783298 1127011065 /nfs/dbraw/zinc/01/10/65/1127011065.db2.gz PFHSBICPLYAJBF-HOCLYGCPSA-N -1 3 325.408 3.754 20 10 EHCDHM Cc1c(N[C@H](C)c2ccc(F)cc2[O-])cccc1N1CCOC1=O ZINC000186479850 1128755815 /nfs/dbraw/zinc/75/58/15/1128755815.db2.gz QYVMDRYDUSTRQD-GFCCVEGCSA-N -1 3 330.359 3.969 20 10 EHCDHM [O-]c1c(CNc2cc3c(nn2)CCCC3)cc(Cl)c2cccnc12 ZINC001168522074 1122373817 /nfs/dbraw/zinc/37/38/17/1122373817.db2.gz OPBCXEIIYYOCLE-UHFFFAOYSA-N -1 3 340.814 3.875 20 10 EHCDHM O=[N+]([O-])c1cc(NCc2cc(Cl)c3cccnc3c2[O-])cnc1F ZINC001168522269 1122384130 /nfs/dbraw/zinc/38/41/30/1122384130.db2.gz DRVPRJAHWQFKEK-UHFFFAOYSA-N -1 3 348.721 3.648 20 10 EHCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000743259935 1131880585 /nfs/dbraw/zinc/88/05/85/1131880585.db2.gz QYROEEVPJUJFBH-UHFFFAOYSA-N -1 3 347.436 3.823 20 10 EHCDHM C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000804285202 1132546071 /nfs/dbraw/zinc/54/60/71/1132546071.db2.gz IDQDIIIRJRPLOZ-FQEVSTJZSA-N -1 3 325.408 3.682 20 10 EHCDHM COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)c1cccc(O)c1[O-] ZINC000804325005 1132763406 /nfs/dbraw/zinc/76/34/06/1132763406.db2.gz NUXHZTAQUAVLLK-CJNGLKHVSA-N -1 3 341.407 3.720 20 10 EHCDHM CN(CC(=O)Nc1ccccc1Cl)Cc1cc(Cl)ccc1[O-] ZINC000768168979 1133104576 /nfs/dbraw/zinc/10/45/76/1133104576.db2.gz BCFOWHGLGSEEMX-UHFFFAOYSA-N -1 3 339.222 3.770 20 10 EHCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1n1ccnc1 ZINC000770328205 1133412100 /nfs/dbraw/zinc/41/21/00/1133412100.db2.gz WAVDOPMCQFRZKL-IAQYHMDHSA-N -1 3 340.254 3.979 20 10 EHCDHM COc1ccc([C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2)cc1 ZINC000790511298 1134429189 /nfs/dbraw/zinc/42/91/89/1134429189.db2.gz DKWWMHUKEIUAKY-IBGZPJMESA-N -1 3 349.386 3.626 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H](Cn1cccn1)c1ccccc1 ZINC000790970760 1134487670 /nfs/dbraw/zinc/48/76/70/1134487670.db2.gz FOTYJCINPDYSSP-INIZCTEOSA-N -1 3 345.805 3.912 20 10 EHCDHM O=S(=O)(CCc1ccc(Cl)cc1)Nc1ccc([O-])c(Cl)c1 ZINC001189103935 1134544558 /nfs/dbraw/zinc/54/45/58/1134544558.db2.gz OSVCSWITBGSYDU-UHFFFAOYSA-N -1 3 346.235 3.683 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCC(CC(F)(F)F)CC2)c1[O-] ZINC000792934162 1134828919 /nfs/dbraw/zinc/82/89/19/1134828919.db2.gz SRZPWPDGTLOLRH-UHFFFAOYSA-N -1 3 333.325 3.898 20 10 EHCDHM CC[C@@H](NCc1n[nH]cc1Br)c1cc(Cl)ccc1[O-] ZINC000775510032 1134972168 /nfs/dbraw/zinc/97/21/68/1134972168.db2.gz UNUVKVDDRJRKPH-LLVKDONJSA-N -1 3 344.640 3.772 20 10 EHCDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)c1ccccc1O ZINC001193690808 1135171905 /nfs/dbraw/zinc/17/19/05/1135171905.db2.gz VUQOLIWWEXHNBP-LLVKDONJSA-N -1 3 349.383 3.625 20 10 EHCDHM CC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1[O-] ZINC000808187287 1135628079 /nfs/dbraw/zinc/62/80/79/1135628079.db2.gz BQZABWOVAOITKC-UHFFFAOYSA-N -1 3 349.390 3.650 20 10 EHCDHM COC[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1cccc(OC)c1 ZINC000850514028 1136274820 /nfs/dbraw/zinc/27/48/20/1136274820.db2.gz KSJUITLHZJHZRI-APPDUMDISA-N -1 3 337.366 3.717 20 10 EHCDHM [O-]c1ccc2ccncc2c1CN1CCOC[C@@H]1c1cccc(F)c1 ZINC000853566058 1136544749 /nfs/dbraw/zinc/54/47/49/1136544749.db2.gz DSRMOVGBZGELMO-LJQANCHMSA-N -1 3 338.382 3.653 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN(C)Cc2ccc3c(c2)OCO3)c1[O-] ZINC000748045928 1136677212 /nfs/dbraw/zinc/67/72/12/1136677212.db2.gz ANRRQEBTYXROKJ-UHFFFAOYSA-N -1 3 347.798 3.609 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H]1CCOc2c(F)cccc21 ZINC000816586596 1136734619 /nfs/dbraw/zinc/73/46/19/1136734619.db2.gz MKOORCBCJDYELH-AWEZNQCLSA-N -1 3 325.742 3.937 20 10 EHCDHM CC(C)(C)OC(=O)N1CCCN1Cc1ccc2ccccc2c1[O-] ZINC000816602580 1136739821 /nfs/dbraw/zinc/73/98/21/1136739821.db2.gz COOYWVFNUZWNSB-UHFFFAOYSA-N -1 3 328.412 3.903 20 10 EHCDHM COc1ccccc1C1(NCc2c([O-])cccc2Br)CC1 ZINC000858182206 1136947378 /nfs/dbraw/zinc/94/73/78/1136947378.db2.gz KQNWUCUQMMCLTO-UHFFFAOYSA-N -1 3 348.240 3.942 20 10 EHCDHM O=C(NCC1CCC(c2ccccc2)CC1)c1cccc(O)c1[O-] ZINC001136727751 1137102081 /nfs/dbraw/zinc/10/20/81/1137102081.db2.gz XUGDCEBOBWNLKA-UHFFFAOYSA-N -1 3 325.408 3.802 20 10 EHCDHM [O-]c1cccc(Br)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC000862216046 1137132658 /nfs/dbraw/zinc/13/26/58/1137132658.db2.gz QNNAKATYSJMKRT-QGZVFWFLSA-N -1 3 348.240 3.728 20 10 EHCDHM Cc1ncsc1CN(C)Cc1c([O-])cccc1Br ZINC000862238901 1137134156 /nfs/dbraw/zinc/13/41/56/1137134156.db2.gz OBVDHYAEPVNSIA-UHFFFAOYSA-N -1 3 327.247 3.552 20 10 EHCDHM Cn1nc(C2CC2)cc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000824395176 1137136654 /nfs/dbraw/zinc/13/66/54/1137136654.db2.gz CBNYQKGQUCDKLA-UHFFFAOYSA-N -1 3 326.227 3.600 20 10 EHCDHM Cc1cc([O-])c(CNCc2nnc(C(C)(C)C)s2)cc1Cl ZINC000825336757 1137173458 /nfs/dbraw/zinc/17/34/58/1137173458.db2.gz DISKJHSEOPNKFL-UHFFFAOYSA-N -1 3 325.865 3.793 20 10 EHCDHM C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC000863740610 1137201780 /nfs/dbraw/zinc/20/17/80/1137201780.db2.gz YOHFIAGCYLKZRH-RDTXWAMCSA-N -1 3 325.408 3.602 20 10 EHCDHM C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC000863740610 1137201782 /nfs/dbraw/zinc/20/17/82/1137201782.db2.gz YOHFIAGCYLKZRH-RDTXWAMCSA-N -1 3 325.408 3.602 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@]3(CC3(F)F)C2)c1[O-] ZINC000846110075 1137333204 /nfs/dbraw/zinc/33/32/04/1137333204.db2.gz YUHFJPPEBDSHMA-ZDUSSCGKSA-N -1 3 332.734 3.575 20 10 EHCDHM Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cccc(O)c1[O-] ZINC001148219999 1137419934 /nfs/dbraw/zinc/41/99/34/1137419934.db2.gz JYUBEHOBTLSKET-UHFFFAOYSA-N -1 3 326.179 3.643 20 10 EHCDHM Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(O)c([O-])c(O)c2)cc1C ZINC001148588353 1137429008 /nfs/dbraw/zinc/42/90/08/1137429008.db2.gz TUXWNNKVPHKTMT-INIZCTEOSA-N -1 3 341.407 3.788 20 10 EHCDHM C[C@@H](NCc1ncc(Br)s1)c1ccc(F)cc1[O-] ZINC000714930980 1137474331 /nfs/dbraw/zinc/47/43/31/1137474331.db2.gz AZBRVROKMOAIMF-SSDOTTSWSA-N -1 3 331.210 3.601 20 10 EHCDHM [O-]c1cc(Br)ccc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000825883588 1137654960 /nfs/dbraw/zinc/65/49/60/1137654960.db2.gz XZWPBGUXLMJDKL-AWEZNQCLSA-N -1 3 336.233 3.605 20 10 EHCDHM CCOc1ccc(N(CC)Cc2nnc(-c3ccccc3[O-])o2)cc1 ZINC000878220299 1137707628 /nfs/dbraw/zinc/70/76/28/1137707628.db2.gz AEBXBSKODSMTIS-UHFFFAOYSA-N -1 3 339.395 3.867 20 10 EHCDHM CCOc1ccc2c(c1)[C@H](NCc1cc(F)cc(F)c1[O-])CCO2 ZINC000883090990 1137844436 /nfs/dbraw/zinc/84/44/36/1137844436.db2.gz AGCOCWJDXJGKPQ-MRXNPFEDSA-N -1 3 335.350 3.683 20 10 EHCDHM CO[C@H](C)C(=O)Nc1cccc(N[C@H](C)c2c([O-])cccc2F)c1 ZINC000886568552 1138098247 /nfs/dbraw/zinc/09/82/47/1138098247.db2.gz NHERXYCZEHFOQJ-VXGBXAGGSA-N -1 3 332.375 3.678 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN(Cc2ccncc2)C2CC2)c1[O-] ZINC000093221435 1138235085 /nfs/dbraw/zinc/23/50/85/1138235085.db2.gz GGDSSCWFAYEQJM-UHFFFAOYSA-N -1 3 330.815 3.808 20 10 EHCDHM CCCC(=O)Nc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000182228749 1139959623 /nfs/dbraw/zinc/95/96/23/1139959623.db2.gz GWNJSBQDIYKAHL-UHFFFAOYSA-N -1 3 342.395 3.706 20 10 EHCDHM CCN(CC)c1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC000756358554 955264172 /nfs/dbraw/zinc/26/41/72/955264172.db2.gz AMOFGGPFGZEYMP-SFHVURJKSA-N -1 3 348.393 3.727 20 10 EHCDHM C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCOC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208799 994230261 /nfs/dbraw/zinc/23/02/61/994230261.db2.gz GEMRBHSLIMKUAH-AXHNFQJDSA-N -1 3 341.407 3.519 20 10 EHCDHM C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCOC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208806 994230648 /nfs/dbraw/zinc/23/06/48/994230648.db2.gz GEMRBHSLIMKUAH-URKNILKWSA-N -1 3 341.407 3.519 20 10 EHCDHM C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208801 994230849 /nfs/dbraw/zinc/23/08/49/994230849.db2.gz GEMRBHSLIMKUAH-CRFBAAHOSA-N -1 3 341.407 3.519 20 10 EHCDHM COc1cc(Cl)cc(C[NH2+][C@H](CC2CCCCC2)C(=O)[O-])c1[O-] ZINC001599420297 997582706 /nfs/dbraw/zinc/58/27/06/997582706.db2.gz DDYLAKPJNQVJKB-CQSZACIVSA-N -1 3 341.835 3.567 20 10 EHCDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1C ZINC001599571437 998371733 /nfs/dbraw/zinc/37/17/33/998371733.db2.gz CALUNZYOWVCJEO-MRXNPFEDSA-N -1 3 337.778 3.712 20 10 EHCDHM Cc1ccnc(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)n1 ZINC000366791461 1021408421 /nfs/dbraw/zinc/40/84/21/1021408421.db2.gz LTCNPJWKQLPLDG-UHFFFAOYSA-N -1 3 335.810 3.663 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2cnn(C3CCC3)c2)c1 ZINC000897877557 1033218867 /nfs/dbraw/zinc/21/88/67/1033218867.db2.gz KTZXBKZKQGIATQ-UHFFFAOYSA-N -1 3 336.233 3.997 20 10 EHCDHM CCC(=O)Nc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000273471147 1027445304 /nfs/dbraw/zinc/44/53/04/1027445304.db2.gz RXVJTVVLHNVLDZ-LBPRGKRZSA-N -1 3 342.395 3.700 20 10 EHCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2c(Cl)oc3ccccc32)c1 ZINC000761298618 1033579453 /nfs/dbraw/zinc/57/94/53/1033579453.db2.gz DKFJDRYPXCSFSF-UHFFFAOYSA-N -1 3 332.743 3.990 20 10 EHCDHM CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000530040209 1034894432 /nfs/dbraw/zinc/89/44/32/1034894432.db2.gz WHSPTIYFFXQMFT-OAHLLOKOSA-N -1 3 329.371 3.645 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(OCC3CC3)CC2)c1[O-] ZINC000377999814 1037625264 /nfs/dbraw/zinc/62/52/64/1037625264.db2.gz SJJZSEMYDUSCSS-UHFFFAOYSA-N -1 3 337.847 3.639 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(c2c[nH]cn2)CC1 ZINC000378343441 1038491717 /nfs/dbraw/zinc/49/17/17/1038491717.db2.gz UEZOXVKPWKCJJL-UHFFFAOYSA-N -1 3 326.227 3.802 20 10 EHCDHM COc1ccc2c(c1)CN(Cc1cc(Br)ccc1[O-])C2 ZINC000692921064 1044064453 /nfs/dbraw/zinc/06/44/53/1044064453.db2.gz JUDIHLRAULIARO-UHFFFAOYSA-N -1 3 334.213 3.679 20 10 EHCDHM CC(C)(C)C[C@@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC001670548635 1120084814 /nfs/dbraw/zinc/08/48/14/1120084814.db2.gz QDQWSOHEWLPMDZ-GFCCVEGCSA-N -1 3 336.329 3.698 20 10 EHCDHM [O-]c1c(CNc2cnc3nccnc3c2)cc(Cl)c2cccnc12 ZINC001168522063 1122371926 /nfs/dbraw/zinc/37/19/26/1122371926.db2.gz OLEQLNLCNRGJJF-UHFFFAOYSA-N -1 3 337.770 3.544 20 10 EHCDHM [O-]c1c(CNc2nccnc2C(F)F)cc(Cl)c2cccnc12 ZINC001168522435 1122433123 /nfs/dbraw/zinc/43/31/23/1122433123.db2.gz RFFRISRPUSYYKO-UHFFFAOYSA-N -1 3 336.729 3.934 20 10 EHCDHM CC1(C)CN(Cc2cccc(Br)c2[O-])C(C)(C)CO1 ZINC000769446710 1133291588 /nfs/dbraw/zinc/29/15/88/1133291588.db2.gz RVWRMSPTFNIURY-UHFFFAOYSA-N -1 3 328.250 3.544 20 10 EHCDHM Cc1ccccc1CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001180413373 1133372187 /nfs/dbraw/zinc/37/21/87/1133372187.db2.gz SZTKGXPMPHHDPB-UHFFFAOYSA-N -1 3 348.849 3.811 20 10 EHCDHM Cc1c(NCc2cc(F)c(F)cc2[O-])cccc1NC(=O)N(C)C ZINC001181362161 1133480458 /nfs/dbraw/zinc/48/04/58/1133480458.db2.gz ZWSMGQTUBQSRCV-UHFFFAOYSA-N -1 3 335.354 3.684 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(C)c(OC)cc2C)c1 ZINC000774481101 1133687300 /nfs/dbraw/zinc/68/73/00/1133687300.db2.gz AGKRRDNNSYDVMR-ZDUSSCGKSA-N -1 3 329.396 3.977 20 10 EHCDHM [O-]c1cc(F)c(F)cc1CNCc1ccc(Br)cc1F ZINC001184207654 1133907499 /nfs/dbraw/zinc/90/74/99/1133907499.db2.gz VKPCIRMYKFJIBD-UHFFFAOYSA-N -1 3 346.146 3.862 20 10 EHCDHM COc1c([O-])c(CN2CCC[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774834167 1134035967 /nfs/dbraw/zinc/03/59/67/1134035967.db2.gz AXNJXXCBXBYOJJ-HNNXBMFYSA-N -1 3 346.358 3.785 20 10 EHCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185990713 1134153575 /nfs/dbraw/zinc/15/35/75/1134153575.db2.gz RVQKLULZVJINGF-UHFFFAOYSA-N -1 3 345.424 3.501 20 10 EHCDHM COc1c([O-])c(CN2C[C@H](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000775057797 1134267444 /nfs/dbraw/zinc/26/74/44/1134267444.db2.gz SQVXVSUDOAMVDW-GFCCVEGCSA-N -1 3 328.368 3.508 20 10 EHCDHM CCOc1cccc2cc([C@H](C)NC(=O)c3cccc(O)c3[O-])oc21 ZINC000790483159 1134424183 /nfs/dbraw/zinc/42/41/83/1134424183.db2.gz BBTFGUKUUOYFPS-NSHDSACASA-N -1 3 341.363 3.734 20 10 EHCDHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000790890051 1134476813 /nfs/dbraw/zinc/47/68/13/1134476813.db2.gz PNLJIQSQQQAIBU-NVXWUHKLSA-N -1 3 325.408 3.815 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CNCc1nc(-c2ccncc2)cs1 ZINC000790965273 1134485982 /nfs/dbraw/zinc/48/59/82/1134485982.db2.gz AVOJGOCHKIYIQM-UHFFFAOYSA-N -1 3 349.818 3.993 20 10 EHCDHM CC(C)OC(=O)C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792175202 1134663300 /nfs/dbraw/zinc/66/33/00/1134663300.db2.gz OWCMZPJOEUPPMS-LBPRGKRZSA-N -1 3 343.826 3.738 20 10 EHCDHM C[C@H](NCc1c([O-])cccc1Cl)c1nc(Cc2ccccc2)no1 ZINC000792182228 1134664015 /nfs/dbraw/zinc/66/40/15/1134664015.db2.gz YQYOXQZKDGSGRA-LBPRGKRZSA-N -1 3 343.814 3.870 20 10 EHCDHM CCN(Cc1cccc(Cl)c1[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000775695323 1135531529 /nfs/dbraw/zinc/53/15/29/1135531529.db2.gz LCMINWFHAYELKJ-KRWDZBQOSA-N -1 3 344.842 3.673 20 10 EHCDHM Cc1cc(CNCc2c([O-])ccc(Cl)c2F)cc(N2CCCC2)n1 ZINC000810168765 1135929607 /nfs/dbraw/zinc/92/96/07/1135929607.db2.gz LSYMWYXRMUPEHI-UHFFFAOYSA-N -1 3 349.837 3.778 20 10 EHCDHM [O-]c1cccnc1CNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC001201002280 1135976212 /nfs/dbraw/zinc/97/62/12/1135976212.db2.gz YGPUSYYDDMVPSH-UHFFFAOYSA-N -1 3 328.224 3.581 20 10 EHCDHM Cc1ccc(CCC2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000776328107 1136154865 /nfs/dbraw/zinc/15/48/65/1136154865.db2.gz YORLUOHWKOCOMH-UHFFFAOYSA-N -1 3 339.435 3.891 20 10 EHCDHM C[C@H](NCc1cccnc1N1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000850502162 1136272795 /nfs/dbraw/zinc/27/27/95/1136272795.db2.gz SCOZLIXVCYDXFZ-LBPRGKRZSA-N -1 3 333.382 3.516 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC(c3ccon3)CC2)c1[O-] ZINC000852673906 1136476350 /nfs/dbraw/zinc/47/63/50/1136476350.db2.gz ZWBMXNYBZQDBJR-UHFFFAOYSA-N -1 3 334.803 3.616 20 10 EHCDHM [O-]c1ccc2ccncc2c1CN1CCOC[C@H]1c1cccc(F)c1 ZINC000853566057 1136545061 /nfs/dbraw/zinc/54/50/61/1136545061.db2.gz DSRMOVGBZGELMO-IBGZPJMESA-N -1 3 338.382 3.653 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@@H]2c2ccncc2)c1[O-] ZINC000854043195 1136583117 /nfs/dbraw/zinc/58/31/17/1136583117.db2.gz FJWJOBAUZYCWPY-SFHVURJKSA-N -1 3 328.387 3.712 20 10 EHCDHM CCn1cc(CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C(C)C)cn1 ZINC000844417042 1137219042 /nfs/dbraw/zinc/21/90/42/1137219042.db2.gz IKBKLCQQYBXKRP-UHFFFAOYSA-N -1 3 349.862 3.875 20 10 EHCDHM COc1cccc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)c1[O-] ZINC001148202920 1137420366 /nfs/dbraw/zinc/42/03/66/1137420366.db2.gz SSXRSSFYRJBWAI-UHFFFAOYSA-N -1 3 348.402 3.830 20 10 EHCDHM Cc1ccc(C(=O)n2c(N)c(/N=N/c3ccccc3)ccc2=N)c([O-])c1 ZINC001148491858 1137426733 /nfs/dbraw/zinc/42/67/33/1137426733.db2.gz FNIHCHXFNQWJJM-UKLSTIIHSA-N -1 3 347.378 3.668 20 10 EHCDHM CN(C)c1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)cc1 ZINC000871883713 1137562487 /nfs/dbraw/zinc/56/24/87/1137562487.db2.gz VULNJHKMZRYKJG-KRWDZBQOSA-N -1 3 332.831 3.712 20 10 EHCDHM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1C ZINC000123882153 1137563738 /nfs/dbraw/zinc/56/37/38/1137563738.db2.gz TWLQKTKBGWRMTH-UHFFFAOYSA-N -1 3 349.452 3.942 20 10 EHCDHM Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(Br)cc1[O-])N2 ZINC000877855962 1137693618 /nfs/dbraw/zinc/69/36/18/1137693618.db2.gz WWPCVFIEIZNREI-OAHLLOKOSA-N -1 3 347.212 3.659 20 10 EHCDHM COC[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1ccc(F)c(F)c1 ZINC000886562115 1138097535 /nfs/dbraw/zinc/09/75/35/1138097535.db2.gz QQYGOAWRVAXDKC-ZUZCIYMTSA-N -1 3 325.330 3.848 20 10 EHCDHM Cc1cc([O-])c(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1Cl ZINC000826534928 1138214404 /nfs/dbraw/zinc/21/44/04/1138214404.db2.gz MZYBDGFKRNBUIJ-FZMZJTMJSA-N -1 3 337.769 3.944 20 10 EHCDHM C[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598530585 992774665 /nfs/dbraw/zinc/77/46/65/992774665.db2.gz MSMALRWKVZULRV-OAHLLOKOSA-N -1 3 340.206 3.957 20 10 EHCDHM C[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598530585 992774672 /nfs/dbraw/zinc/77/46/72/992774672.db2.gz MSMALRWKVZULRV-OAHLLOKOSA-N -1 3 340.206 3.957 20 10 EHCDHM COC[C@@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC001599174258 996810443 /nfs/dbraw/zinc/81/04/43/996810443.db2.gz UYQKLNXXNRKTMO-MEDUHNTESA-N -1 3 349.814 3.782 20 10 EHCDHM Cc1cnc(C(C)(C)NCc2cccc(Br)c2[O-])s1 ZINC000175982339 1020433185 /nfs/dbraw/zinc/43/31/85/1020433185.db2.gz VCGDCJRGCZDDLU-UHFFFAOYSA-N -1 3 341.274 3.945 20 10 EHCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001142520267 1033190690 /nfs/dbraw/zinc/19/06/90/1033190690.db2.gz FCKPTOHHQRYEQY-GFCCVEGCSA-N -1 3 341.304 3.602 20 10 EHCDHM CCCCn1nc(C)c(CNCc2c([O-])cccc2F)c1Cl ZINC000896641826 1025794035 /nfs/dbraw/zinc/79/40/35/1025794035.db2.gz SKTNRPYHAHFEOE-UHFFFAOYSA-N -1 3 325.815 3.780 20 10 EHCDHM CCc1nc([C@@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])cs1 ZINC000273622750 1027522987 /nfs/dbraw/zinc/52/29/87/1027522987.db2.gz ZOHLTKZAAZWTOK-GHMZBOCLSA-N -1 3 334.441 3.610 20 10 EHCDHM Cc1cccnc1[C@@H](NC(=O)NCc1c([O-])cccc1F)C(C)(C)C ZINC000898466600 1039094585 /nfs/dbraw/zinc/09/45/85/1039094585.db2.gz DCSRXBRRSFDZHX-QGZVFWFLSA-N -1 3 345.418 3.821 20 10 EHCDHM CC(=O)Nc1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168527134 1126772924 /nfs/dbraw/zinc/77/29/24/1126772924.db2.gz DBTKAYLUXLFHGF-UHFFFAOYSA-N -1 3 342.786 3.559 20 10 EHCDHM [O-]c1c(CNc2ncnc3[nH]cc(F)c32)cc(Cl)c2cccnc12 ZINC001168527836 1126830194 /nfs/dbraw/zinc/83/01/94/1126830194.db2.gz MWCWBJWFNZQHFA-UHFFFAOYSA-N -1 3 343.749 3.568 20 10 EHCDHM C[C@H](c1ccsc1)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000765720228 1127738570 /nfs/dbraw/zinc/73/85/70/1127738570.db2.gz PYEFBYWUBAMVOX-CYBMUJFWSA-N -1 3 336.888 3.986 20 10 EHCDHM O=[N+]([O-])c1ccc([O-])cc1CN(Cc1ccccc1O)C1CCCC1 ZINC000769385657 1133274402 /nfs/dbraw/zinc/27/44/02/1133274402.db2.gz ZTJXCNHSBNOPJU-UHFFFAOYSA-N -1 3 342.395 3.951 20 10 EHCDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])C(C)(C)CO1 ZINC000769447815 1133292448 /nfs/dbraw/zinc/29/24/48/1133292448.db2.gz ZXDMEFMGQKUFIM-UHFFFAOYSA-N -1 3 328.250 3.544 20 10 EHCDHM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cccc(O)c1[O-] ZINC000769724334 1133336059 /nfs/dbraw/zinc/33/60/59/1133336059.db2.gz LPUBKDPECWXOHD-ZDUSSCGKSA-N -1 3 339.313 3.830 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC001180573696 1133388217 /nfs/dbraw/zinc/38/82/17/1133388217.db2.gz BCQUFRXHPLXYDW-AWEZNQCLSA-N -1 3 339.407 3.913 20 10 EHCDHM COc1c([O-])c(CN2CCc3cccc(F)c3[C@H]2C)ccc1[N+](=O)[O-] ZINC000774887364 1134101332 /nfs/dbraw/zinc/10/13/32/1134101332.db2.gz ZFPFWXVNQTWQLW-LLVKDONJSA-N -1 3 346.358 3.567 20 10 EHCDHM COc1c([O-])c(CN2CC[C@H](C)C[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774909421 1134117107 /nfs/dbraw/zinc/11/71/07/1134117107.db2.gz MSGKAZAFKGUFQB-WFASDCNBSA-N -1 3 346.383 3.875 20 10 EHCDHM COc1c([O-])c(CNc2cccc([C@H](C)OC)c2)ccc1[N+](=O)[O-] ZINC000774938375 1134138069 /nfs/dbraw/zinc/13/80/69/1134138069.db2.gz WQMDIOMIMFOAQO-NSHDSACASA-N -1 3 332.356 3.629 20 10 EHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])NCC1CCCCC1 ZINC001186887787 1134267285 /nfs/dbraw/zinc/26/72/85/1134267285.db2.gz CWVBGTQVNSYVHG-UHFFFAOYSA-N -1 3 347.846 3.973 20 10 EHCDHM O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cccc(O)c1[O-] ZINC000790556223 1134434721 /nfs/dbraw/zinc/43/47/21/1134434721.db2.gz DBWBSUKQJSGMIF-UHFFFAOYSA-N -1 3 349.390 3.550 20 10 EHCDHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccc([S@@](C)=O)cc1 ZINC000790982877 1134496263 /nfs/dbraw/zinc/49/62/63/1134496263.db2.gz LFVFKKIFBIEJDT-MLMJSJRWSA-N -1 3 341.835 3.773 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)NCC1(c2cccc(F)c2)CCC1 ZINC001687532938 1134550946 /nfs/dbraw/zinc/55/09/46/1134550946.db2.gz CUOWHFHHGCWPCY-UHFFFAOYSA-N -1 3 346.377 3.592 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C)c(C)c1O ZINC000775291958 1134615248 /nfs/dbraw/zinc/61/52/48/1134615248.db2.gz SURYLLNDOMHISJ-UHFFFAOYSA-N -1 3 343.807 3.911 20 10 EHCDHM COc1cc(NCc2c([O-])cccc2Cl)c(OC)c(C)c1OC ZINC000793396620 1134923525 /nfs/dbraw/zinc/92/35/25/1134923525.db2.gz WTEZCYNYJHPEKS-UHFFFAOYSA-N -1 3 337.803 3.992 20 10 EHCDHM [O-]c1c(CNC(=S)NC2CCCC2)cc(Cl)c2cccnc12 ZINC001198567832 1135831822 /nfs/dbraw/zinc/83/18/22/1135831822.db2.gz ZRFAGGLMCOYWNI-UHFFFAOYSA-N -1 3 335.860 3.501 20 10 EHCDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1c([O-])ccc(Cl)c1F ZINC000809688199 1135872063 /nfs/dbraw/zinc/87/20/63/1135872063.db2.gz DUZBFSNNJXWUEK-UHFFFAOYSA-N -1 3 338.766 3.767 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000810093621 1135920612 /nfs/dbraw/zinc/92/06/12/1135920612.db2.gz OIVLXIODCDVDDG-WMZOPIPTSA-N -1 3 349.858 3.782 20 10 EHCDHM CC(C)c1oncc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001199747556 1135925905 /nfs/dbraw/zinc/92/59/05/1135925905.db2.gz LLQAZUIRCQNENN-UHFFFAOYSA-N -1 3 345.786 3.635 20 10 EHCDHM Cc1nc2sccn2c1CN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816501969 1136727550 /nfs/dbraw/zinc/72/75/50/1136727550.db2.gz IQEJRIHECMJNOU-UHFFFAOYSA-N -1 3 339.823 3.834 20 10 EHCDHM COCCN(Cc1ccc(C)o1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816516025 1136729869 /nfs/dbraw/zinc/72/98/69/1136729869.db2.gz SKMREIXIBUBDLJ-UHFFFAOYSA-N -1 3 327.783 3.735 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000816615994 1136741941 /nfs/dbraw/zinc/74/19/41/1136741941.db2.gz LNOYLYMJVOTOOW-HZPDHXFCSA-N -1 3 325.811 3.718 20 10 EHCDHM O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1cccc(O)c1[O-] ZINC001136255566 1136956422 /nfs/dbraw/zinc/95/64/22/1136956422.db2.gz XGWUUKXHUSCFPP-UHFFFAOYSA-N -1 3 349.390 3.619 20 10 EHCDHM [O-]c1cccc(Br)c1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000862363956 1137140363 /nfs/dbraw/zinc/14/03/63/1137140363.db2.gz XXFCENKGUMJBDI-CQSZACIVSA-N -1 3 336.233 3.605 20 10 EHCDHM CC[C@@H](NCc1nn(C)cc1C(F)F)c1cccc(Cl)c1[O-] ZINC000866568520 1137365442 /nfs/dbraw/zinc/36/54/42/1137365442.db2.gz WYWZSNACADATGA-GFCCVEGCSA-N -1 3 329.778 3.958 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](CF)c2ccc(F)cc2)c1 ZINC000866597039 1137367766 /nfs/dbraw/zinc/36/77/66/1137367766.db2.gz WKQYANAFNJRLTA-ZBEGNZNMSA-N -1 3 335.350 3.679 20 10 EHCDHM C[C@H](NCc1ncc(Br)s1)c1cc(F)cc(F)c1[O-] ZINC000866619608 1137370096 /nfs/dbraw/zinc/37/00/96/1137370096.db2.gz FWKNJHVKEFSHBO-LURJTMIESA-N -1 3 349.200 3.740 20 10 EHCDHM Nc1ccc(N(Cc2ccccc2)C(=O)c2cccc(O)c2[O-])cc1 ZINC001148219390 1137419912 /nfs/dbraw/zinc/41/99/12/1137419912.db2.gz XIJPUSQSUQKZPH-UHFFFAOYSA-N -1 3 334.375 3.527 20 10 EHCDHM COc1cc(F)c([C@@H](C)NCc2ccc(F)c(F)c2[O-])cc1OC ZINC000877035261 1137668297 /nfs/dbraw/zinc/66/82/97/1137668297.db2.gz FXGSZJHKSRBYGY-SECBINFHSA-N -1 3 341.329 3.678 20 10 EHCDHM CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886505357 1138085534 /nfs/dbraw/zinc/08/55/34/1138085534.db2.gz XRCNKYHXNTXLMB-KGLIPLIRSA-N -1 3 344.430 3.910 20 10 EHCDHM CC[C@@H](N[C@H](C)c1c([O-])cccc1F)c1nnc2n1CCCCC2 ZINC000886520451 1138088860 /nfs/dbraw/zinc/08/88/60/1138088860.db2.gz FEKGQPSQRXGYLR-TZMCWYRMSA-N -1 3 332.423 3.651 20 10 EHCDHM C[C@@H](N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1c([O-])cccc1F ZINC000886558070 1138096422 /nfs/dbraw/zinc/09/64/22/1138096422.db2.gz ASHJTKPZNUEEJB-YGRLFVJLSA-N -1 3 343.320 3.934 20 10 EHCDHM Cc1c(N[C@H](C)c2c([O-])cccc2F)cccc1N1CCOC1=O ZINC000886586806 1138099714 /nfs/dbraw/zinc/09/97/14/1138099714.db2.gz XMOSZZLVQYWAFW-GFCCVEGCSA-N -1 3 330.359 3.969 20 10 EHCDHM COc1cc(NCc2c([O-])cccc2Cl)ccc1N1CCCC1=O ZINC000266227185 1140657395 /nfs/dbraw/zinc/65/73/95/1140657395.db2.gz SOBMBZFFCBHRHP-UHFFFAOYSA-N -1 3 346.814 3.793 20 10 EHCDHM O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cccc(O)c1[O-] ZINC001625788226 1014673437 /nfs/dbraw/zinc/67/34/37/1014673437.db2.gz VFZODDZUJZVUGE-UHFFFAOYSA-N -1 3 349.390 3.550 20 10 EHCDHM CCCC[N@H+](Cc1ccccc1[O-])Cc1ccccc1CC(=O)[O-] ZINC001595747644 982414881 /nfs/dbraw/zinc/41/48/81/982414881.db2.gz HNKFKRSDOHEXPX-UHFFFAOYSA-N -1 3 327.424 3.822 20 10 EHCDHM CCCC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1CC(=O)[O-] ZINC001595747644 982414885 /nfs/dbraw/zinc/41/48/85/982414885.db2.gz HNKFKRSDOHEXPX-UHFFFAOYSA-N -1 3 327.424 3.822 20 10 EHCDHM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC001598513536 992591666 /nfs/dbraw/zinc/59/16/66/992591666.db2.gz YVNXQCLPRKABBO-UHFFFAOYSA-N -1 3 343.423 3.726 20 10 EHCDHM C[C@@H](N[C@@H](c1ccccc1)c1ccncc1)c1cc(C(=O)[O-])ccc1O ZINC001593208597 994228679 /nfs/dbraw/zinc/22/86/79/994228679.db2.gz DITINQNQKSIAGK-VLIAUNLRSA-N -1 3 348.402 3.926 20 10 EHCDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])CC(C)(C)O1 ZINC000226455503 1033123285 /nfs/dbraw/zinc/12/32/85/1033123285.db2.gz PIYOSMDXRZILMJ-UHFFFAOYSA-N -1 3 328.250 3.544 20 10 EHCDHM O=[N+]([O-])c1ccccc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000050015534 1026851860 /nfs/dbraw/zinc/85/18/60/1026851860.db2.gz KEENPTXNSAGRLC-UHFFFAOYSA-N -1 3 327.167 3.897 20 10 EHCDHM C[C@H](N[C@H]1CCOc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273529631 1027476609 /nfs/dbraw/zinc/47/66/09/1027476609.db2.gz WCJZAHAKOMZKNK-BONVTDFDSA-N -1 3 332.331 3.614 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nc(C(C)(C)C)cs2)c1 ZINC000273615742 1027520900 /nfs/dbraw/zinc/52/09/00/1027520900.db2.gz XGZKUQHHFZFFOC-LLVKDONJSA-N -1 3 348.468 3.784 20 10 EHCDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000271896753 1029220687 /nfs/dbraw/zinc/22/06/87/1029220687.db2.gz YLXWJZLHRSVHOJ-CYBMUJFWSA-N -1 3 333.819 3.686 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c([O-])c1O ZINC000181772422 1038483985 /nfs/dbraw/zinc/48/39/85/1038483985.db2.gz LBQCLZTZPOVRIA-UHFFFAOYSA-N -1 3 334.375 3.644 20 10 EHCDHM Cn1ccc([C@H](NCc2cc(F)ccc2[O-])c2ccc(Cl)cc2)n1 ZINC000364103810 1039772618 /nfs/dbraw/zinc/77/26/18/1039772618.db2.gz RSCURKZVBSLAHH-GOSISDBHSA-N -1 3 345.805 3.797 20 10 EHCDHM Cc1cc2cnc(NCc3cc(Cl)c4cccnc4c3[O-])nc2[nH]1 ZINC001168528280 1126908484 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CN(CC(=O)Nc1cccc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000768304510 1133123640 /nfs/dbraw/zinc/12/36/40/1133123640.db2.gz ZFRBEQITZUIADH-UHFFFAOYSA-N -1 3 339.222 3.770 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2ccc3n[nH]cc3c2)c1 ZINC001178013246 1133124683 /nfs/dbraw/zinc/12/46/83/1133124683.db2.gz UXDCNOABHOJTHZ-UHFFFAOYSA-N -1 3 332.201 3.952 20 10 EHCDHM CC(C)OC(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000768529935 1133150408 /nfs/dbraw/zinc/15/04/08/1133150408.db2.gz WGSKOHJSCYGBMO-LBPRGKRZSA-N -1 3 343.826 3.738 20 10 EHCDHM C[C@H](CC(=O)NCc1cc(Cl)c2cccnc2c1[O-])C(F)(F)F ZINC001180090336 1133321283 /nfs/dbraw/zinc/32/12/83/1133321283.db2.gz BTIPIPCWELDPFZ-MRVPVSSYSA-N -1 3 346.736 3.799 20 10 EHCDHM CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001180112749 1133333838 /nfs/dbraw/zinc/33/38/38/1133333838.db2.gz NLRXXZAFEWWNOS-LBPRGKRZSA-N -1 3 341.398 3.614 20 10 EHCDHM CN(Cc1cnn(Cc2ccccc2)c1)Cc1cc(F)c(F)cc1[O-] ZINC001180452895 1133377496 /nfs/dbraw/zinc/37/74/96/1133377496.db2.gz 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20 10 EHCDHM CC(C)COC(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790578446 1134443335 /nfs/dbraw/zinc/44/33/35/1134443335.db2.gz ACSBGFQFIGFELF-UHFFFAOYSA-N -1 3 344.367 3.555 20 10 EHCDHM COc1ccccc1OCCN(C)Cc1c([O-])ccc(Cl)c1F ZINC000792167669 1134661692 /nfs/dbraw/zinc/66/16/92/1134661692.db2.gz XPSKPDMMHHUNQV-UHFFFAOYSA-N -1 3 339.794 3.704 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCc3c2cccc3[N+](=O)[O-])c1[O-] ZINC001192963421 1135084931 /nfs/dbraw/zinc/08/49/31/1135084931.db2.gz BAXPXMTUMVFKGU-UHFFFAOYSA-N -1 3 346.770 3.719 20 10 EHCDHM COc1c([O-])c(CN2CC(C)(C)[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000809782757 1135891006 /nfs/dbraw/zinc/89/10/06/1135891006.db2.gz GJPIDRSXPKVTEJ-INIZCTEOSA-N -1 3 348.424 3.954 20 10 EHCDHM CC(C)(C)c1cc(NC(=O)c2cccc(O)c2[O-])n(C(C)(C)C)n1 ZINC000776646586 1136515345 /nfs/dbraw/zinc/51/53/45/1136515345.db2.gz ZCKHWCWCPMVTQD-UHFFFAOYSA-N -1 3 331.416 3.599 20 10 EHCDHM CC(=O)c1cccc(NC(=O)c2cc3cc(O)c([O-])cc3s2)c1 ZINC001135412989 1136680214 /nfs/dbraw/zinc/68/02/14/1136680214.db2.gz YDEOGORJITVZIW-UHFFFAOYSA-N -1 3 327.361 3.767 20 10 EHCDHM CC(C)[C@]1(CO)CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000816661999 1136746617 /nfs/dbraw/zinc/74/66/17/1136746617.db2.gz DZLIZESHAFPZHY-MRXNPFEDSA-N -1 3 332.271 3.930 20 10 EHCDHM COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000818356701 1136875573 /nfs/dbraw/zinc/87/55/73/1136875573.db2.gz PVBFUAMMNGDZJK-DTWKUNHWSA-N -1 3 340.832 3.701 20 10 EHCDHM CC(C)n1ccc(NCc2cc(Br)ccc2[O-])cc1=O ZINC001171177598 1137287552 /nfs/dbraw/zinc/28/75/52/1137287552.db2.gz DLSDCMMKIQPMDK-UHFFFAOYSA-N -1 3 337.217 3.509 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC3(CC3(F)F)CC2)c1[O-] ZINC000846054784 1137330828 /nfs/dbraw/zinc/33/08/28/1137330828.db2.gz QLLYUUXTIDEQOE-UHFFFAOYSA-N -1 3 332.734 3.575 20 10 EHCDHM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c(C)c1 ZINC000123904453 1137563955 /nfs/dbraw/zinc/56/39/55/1137563955.db2.gz DYQMFMKRNLMCNO-UHFFFAOYSA-N -1 3 349.452 3.942 20 10 EHCDHM [O-]c1c(CN[C@H](CO)c2cccc(C(F)(F)F)c2)ccc(F)c1F ZINC000877664520 1137684858 /nfs/dbraw/zinc/68/48/58/1137684858.db2.gz SMDJKLRKKDALCP-CYBMUJFWSA-N -1 3 347.283 3.512 20 10 EHCDHM CCc1ncc(CNCc2cc(Cl)cc(Br)c2[O-])o1 ZINC000883136940 1137846050 /nfs/dbraw/zinc/84/60/50/1137846050.db2.gz SDWNWVNTGYCCHR-UHFFFAOYSA-N -1 3 345.624 3.648 20 10 EHCDHM C[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1c([O-])cccc1F ZINC000886505009 1138085114 /nfs/dbraw/zinc/08/51/14/1138085114.db2.gz DVYULMFJNVMSGI-PBHICJAKSA-N -1 3 342.414 3.546 20 10 EHCDHM C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1c([O-])cccc1F ZINC000886505010 1138085180 /nfs/dbraw/zinc/08/51/80/1138085180.db2.gz DVYULMFJNVMSGI-RHSMWYFYSA-N -1 3 342.414 3.546 20 10 EHCDHM COc1cc(N[C@H](C)c2c([O-])cccc2F)ccc1N1CCCC1=O ZINC000886580318 1138098849 /nfs/dbraw/zinc/09/88/49/1138098849.db2.gz FNUNNYZMYWMGCM-GFCCVEGCSA-N -1 3 344.386 3.840 20 10 EHCDHM Cc1noc([C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)n1 ZINC000091832809 1138222090 /nfs/dbraw/zinc/22/20/90/1138222090.db2.gz KANPBUXJGFLNPZ-JTQLQIEISA-N -1 3 342.226 3.770 20 10 EHCDHM CC(=O)c1cc(F)cc(CN[C@H](COCC(C)C)c2ccco2)c1[O-] ZINC000184196595 1140086702 /nfs/dbraw/zinc/08/67/02/1140086702.db2.gz VAWDWEWKFIHVMV-QGZVFWFLSA-N -1 3 349.402 3.830 20 10 EHCDHM C[C@H](C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1)C(=O)[O-] ZINC000833516186 605750801 /nfs/dbraw/zinc/75/08/01/605750801.db2.gz HFLOYYZWANUYSW-CQSZACIVSA-N -1 3 325.408 3.744 20 10 EHCDHM C[C@H](C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CC1)C(=O)[O-] ZINC000833516186 605750805 /nfs/dbraw/zinc/75/08/05/605750805.db2.gz HFLOYYZWANUYSW-CQSZACIVSA-N -1 3 325.408 3.744 20 10 EHCDHM CCN(CC)c1ccc(CNCc2ccccc2C(=O)[O-])cc1F ZINC001589728753 950479928 /nfs/dbraw/zinc/47/99/28/950479928.db2.gz MOWPHQPABVUUML-UHFFFAOYSA-N -1 3 330.403 3.660 20 10 EHCDHM C[C@H]([NH2+]CCCCOc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265355 994571865 /nfs/dbraw/zinc/57/18/65/994571865.db2.gz SBFHEAFVHPGTQI-AWEZNQCLSA-N -1 3 329.396 3.600 20 10 EHCDHM CCC(=O)N1CCc2ccc(NCc3c([O-])cccc3Cl)cc21 ZINC000897769415 1033157325 /nfs/dbraw/zinc/15/73/25/1033157325.db2.gz IASFRRYYJVRTMD-UHFFFAOYSA-N -1 3 330.815 3.957 20 10 EHCDHM Cc1cc(-c2ccc([O-])c(CN3CCOCC3)c2)nc2ccccc12 ZINC000176719239 1026876903 /nfs/dbraw/zinc/87/69/03/1026876903.db2.gz YGILILOSDMCAEB-UHFFFAOYSA-N -1 3 334.419 3.748 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2c(F)cccc2F)c1 ZINC000273384870 1027406470 /nfs/dbraw/zinc/40/64/70/1027406470.db2.gz JDQQDIMNMLCEIN-QWRGUYRKSA-N -1 3 335.350 3.869 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(OC)c(OC)cc2F)c1 ZINC000273475422 1027446367 /nfs/dbraw/zinc/44/63/67/1027446367.db2.gz KQHFEOLRQUPTMJ-JTQLQIEISA-N -1 3 349.358 3.508 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccccc2N2CCCCC2)c([O-])c1O ZINC000179385593 1034271762 /nfs/dbraw/zinc/27/17/62/1034271762.db2.gz GWWLHDJSRLPUDN-UHFFFAOYSA-N -1 3 326.396 3.649 20 10 EHCDHM COC[C@H](NCc1cccc(Br)c1[O-])c1ccc(C)o1 ZINC000177567891 1035236304 /nfs/dbraw/zinc/23/63/04/1035236304.db2.gz CVJJWECWUHQWMR-ZDUSSCGKSA-N -1 3 340.217 3.533 20 10 EHCDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1cn(-c2ccccc2)nn1 ZINC000186112888 1035585411 /nfs/dbraw/zinc/58/54/11/1035585411.db2.gz ICHBAFKGVAPYSU-CHWSQXEVSA-N -1 3 326.375 3.524 20 10 EHCDHM COc1c([O-])c(CNc2ccc(CCSC)cc2)ccc1[N+](=O)[O-] ZINC000278954581 1043080532 /nfs/dbraw/zinc/08/05/32/1043080532.db2.gz ZYUMGBSVONFLNG-UHFFFAOYSA-N -1 3 348.424 3.827 20 10 EHCDHM C[C@@H](c1ccsc1)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000765720230 1127738343 /nfs/dbraw/zinc/73/83/43/1127738343.db2.gz PYEFBYWUBAMVOX-ZDUSSCGKSA-N -1 3 336.888 3.986 20 10 EHCDHM Nc1ccc(N(Cc2ccccc2)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175430448 1132667041 /nfs/dbraw/zinc/66/70/41/1132667041.db2.gz REPKLLKDNLQARM-UHFFFAOYSA-N -1 3 342.406 3.787 20 10 EHCDHM CC(C)OC(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000768529933 1133150509 /nfs/dbraw/zinc/15/05/09/1133150509.db2.gz WGSKOHJSCYGBMO-GFCCVEGCSA-N -1 3 343.826 3.738 20 10 EHCDHM COc1ccc2cc(C(=O)NCc3c([O-])cccc3F)ccc2c1 ZINC001178410245 1133167246 /nfs/dbraw/zinc/16/72/46/1133167246.db2.gz NZNQSZIKHQZZMO-UHFFFAOYSA-N -1 3 325.339 3.623 20 10 EHCDHM [O-]c1ccc(Cl)cc1CN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000769327950 1133262567 /nfs/dbraw/zinc/26/25/67/1133262567.db2.gz ORUHPPBQBYBSOG-UHFFFAOYSA-N -1 3 327.815 3.971 20 10 EHCDHM [O-]c1ccc2ccncc2c1CN1CCSC[C@H]1c1nccs1 ZINC000769799448 1133348146 /nfs/dbraw/zinc/34/81/46/1133348146.db2.gz WRGWODOCGNPCAN-HNNXBMFYSA-N -1 3 343.477 3.687 20 10 EHCDHM COc1c([O-])c(CN(C)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000774821313 1134031753 /nfs/dbraw/zinc/03/17/53/1134031753.db2.gz BORYFFDSFHBVCP-UHFFFAOYSA-N -1 3 336.775 3.594 20 10 EHCDHM C[C@H](N[C@@H](CCO)c1ccco1)c1cccc(C(F)(F)F)c1[O-] ZINC000788749127 1134169904 /nfs/dbraw/zinc/16/99/04/1134169904.db2.gz CLTWEBACUXCZNB-GWCFXTLKSA-N -1 3 329.318 3.778 20 10 EHCDHM COc1c([O-])c(CN2CCc3cc(Cl)ccc3C2)ccc1[N+](=O)[O-] ZINC000775111142 1134323461 /nfs/dbraw/zinc/32/34/61/1134323461.db2.gz LJLXAMLRAIGCSG-UHFFFAOYSA-N -1 3 348.786 3.521 20 10 EHCDHM O=C(Nc1cccc(COc2ccccc2)c1)c1cccc(O)c1[O-] ZINC000790556213 1134434764 /nfs/dbraw/zinc/43/47/64/1134434764.db2.gz CQTXUKWHFWMDGY-UHFFFAOYSA-N -1 3 335.359 3.929 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2c(Cl)cccc2OC)c1 ZINC000790697307 1134454753 /nfs/dbraw/zinc/45/47/53/1134454753.db2.gz IOVSPFRSOAZIIR-LLVKDONJSA-N -1 3 349.814 3.692 20 10 EHCDHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000790961936 1134486313 /nfs/dbraw/zinc/48/63/13/1134486313.db2.gz TYVZUSWYGGSMDI-QMMMGPOBSA-N -1 3 335.766 3.617 20 10 EHCDHM COc1c(C)cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1C ZINC000775291589 1134615235 /nfs/dbraw/zinc/61/52/35/1134615235.db2.gz NFEKHOFTUGNQHY-UHFFFAOYSA-N -1 3 349.452 3.744 20 10 EHCDHM COc1cc(CN(C)Cc2c([O-])ccc(Cl)c2F)cc(OC)c1 ZINC000792163410 1134660300 /nfs/dbraw/zinc/66/03/00/1134660300.db2.gz YZVNKRBSFSHFFW-UHFFFAOYSA-N -1 3 339.794 3.834 20 10 EHCDHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)=O)c2)cc1 ZINC001191249628 1134823609 /nfs/dbraw/zinc/82/36/09/1134823609.db2.gz YHBWYPGHHKQJEH-UHFFFAOYSA-N -1 3 347.436 3.738 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(F)c(OC)cc2C)c1 ZINC000775562792 1135098397 /nfs/dbraw/zinc/09/83/97/1135098397.db2.gz KZGQCTUQEYZPMW-NSHDSACASA-N -1 3 333.359 3.808 20 10 EHCDHM CON(Cc1ccccc1Cl)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001194846907 1135336299 /nfs/dbraw/zinc/33/62/99/1135336299.db2.gz RMWWNPHHKKJQNN-UHFFFAOYSA-N -1 3 337.778 3.951 20 10 EHCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1n[nH]c2ccccc21 ZINC000807834409 1135579791 /nfs/dbraw/zinc/57/97/91/1135579791.db2.gz MMIYQJHRZJQLLQ-UHFFFAOYSA-N -1 3 336.178 3.505 20 10 EHCDHM Cn1c(CNCc2cc(Cl)cc(F)c2[O-])nc2cc(F)ccc21 ZINC000776213821 1136066850 /nfs/dbraw/zinc/06/68/50/1136066850.db2.gz GSZJMUQRMMAEKP-UHFFFAOYSA-N -1 3 337.757 3.500 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000776250241 1136101427 /nfs/dbraw/zinc/10/14/27/1136101427.db2.gz FJUPTHKGXAOEMD-UHFFFAOYSA-N -1 3 335.762 3.692 20 10 EHCDHM Cc1nnc(CN(C)Cc2c3c(ccc2[O-])oc2c3CCCC2)s1 ZINC000853617806 1136549635 /nfs/dbraw/zinc/54/96/35/1136549635.db2.gz PACLGJDPZAMFLM-UHFFFAOYSA-N -1 3 343.452 3.809 20 10 EHCDHM CC[C@H](NCc1ncn(-c2ccccc2)n1)c1cc(Cl)ccc1[O-] ZINC000815657549 1136622751 /nfs/dbraw/zinc/62/27/51/1136622751.db2.gz BJVIYBICGUUFTF-INIZCTEOSA-N -1 3 342.830 3.867 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000816491466 1136724326 /nfs/dbraw/zinc/72/43/26/1136724326.db2.gz MUIFZNAIKMHKLI-JTQLQIEISA-N -1 3 341.732 3.728 20 10 EHCDHM Cc1cc([O-])c(CN(C)Cc2nc3ccccc3n2C)cc1Cl ZINC000824802808 1137153055 /nfs/dbraw/zinc/15/30/55/1137153055.db2.gz PSJHEILWIXPNLV-UHFFFAOYSA-N -1 3 329.831 3.873 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c1[O-] ZINC000120613795 1137293894 /nfs/dbraw/zinc/29/38/94/1137293894.db2.gz CUDMGTCUUVIWEE-APPDUMDISA-N -1 3 349.427 3.757 20 10 EHCDHM COc1c([O-])c(CNc2ccc(C)c(SC)c2)ccc1[N+](=O)[O-] ZINC000846118771 1137334212 /nfs/dbraw/zinc/33/42/12/1137334212.db2.gz BOPLDYDUJRFZEA-UHFFFAOYSA-N -1 3 334.397 3.951 20 10 EHCDHM COCc1cc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])ccc1OC ZINC000866499676 1137359233 /nfs/dbraw/zinc/35/92/33/1137359233.db2.gz OTDBOIWNARXYET-LBPRGKRZSA-N -1 3 345.395 3.507 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877672669 1137685224 /nfs/dbraw/zinc/68/52/24/1137685224.db2.gz KDWTZJNXYCIELX-CJNGLKHVSA-N -1 3 335.806 3.883 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000877673761 1137685444 /nfs/dbraw/zinc/68/54/44/1137685444.db2.gz RECFUFAJWAVDNX-RHSMWYFYSA-N -1 3 335.806 3.883 20 10 EHCDHM CC(=O)Nc1ccc2c(c1)CN(Cc1c([O-])cccc1Cl)CC2 ZINC000877817388 1137691318 /nfs/dbraw/zinc/69/13/18/1137691318.db2.gz UTDPGFSCIJWRTF-UHFFFAOYSA-N -1 3 330.815 3.562 20 10 EHCDHM CNC(=O)c1ccc(Cl)c(NCc2c([O-])cccc2Cl)c1 ZINC000127281762 1137725660 /nfs/dbraw/zinc/72/56/60/1137725660.db2.gz IOPXMNJYTKOHCK-UHFFFAOYSA-N -1 3 325.195 3.671 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000883193336 1137848053 /nfs/dbraw/zinc/84/80/53/1137848053.db2.gz UGPCOOOBSQJQNE-AWEZNQCLSA-N -1 3 347.283 3.512 20 10 EHCDHM C[C@@H](Nc1cccc([C@@]2(C)COC(=O)N2)c1)c1ccc(F)cc1[O-] ZINC000883329638 1137855304 /nfs/dbraw/zinc/85/53/04/1137855304.db2.gz OSZFOXXKQUBEQR-ADLMAVQZSA-N -1 3 330.359 3.659 20 10 EHCDHM C[C@H](Nc1ccc(N2CCO[C@H](C)C2)cc1)c1ccc(F)cc1[O-] ZINC000186467359 1140205314 /nfs/dbraw/zinc/20/53/14/1140205314.db2.gz YVIZVILESBFTPI-KGLIPLIRSA-N -1 3 330.403 3.930 20 10 EHCDHM CCNC(=O)N1CCc2ccc(N[C@@H](C)c3ccc(F)cc3[O-])cc21 ZINC000186470449 1140206151 /nfs/dbraw/zinc/20/61/51/1140206151.db2.gz ZMEUTQZSVBVTPF-LBPRGKRZSA-N -1 3 343.402 3.796 20 10 EHCDHM CC[C@@H](NCc1nccs1)c1cc(Br)ccc1[O-] ZINC000041011900 522895661 /nfs/dbraw/zinc/89/56/61/522895661.db2.gz LDNPIRJHMRMUMD-LLVKDONJSA-N -1 3 327.247 3.852 20 10 EHCDHM CCN(Cc1csc(C)n1)Cc1cc(Br)ccc1[O-] ZINC000076118596 1125476476 /nfs/dbraw/zinc/47/64/76/1125476476.db2.gz NZOYIIGNKSJEIJ-UHFFFAOYSA-N -1 3 341.274 3.942 20 10 EHCDHM CCO[C@@H](CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])C1CCCC1 ZINC001596784375 985246384 /nfs/dbraw/zinc/24/63/84/985246384.db2.gz IRDKWLBAIKHEJM-UGSOOPFHSA-N -1 3 335.444 3.726 20 10 EHCDHM C[C@@H]([NH2+]CCc1cccc2cccnc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273852 994621541 /nfs/dbraw/zinc/62/15/41/994621541.db2.gz HVIDVHYIUUMMJM-CYBMUJFWSA-N -1 3 336.391 3.532 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2c(F)cccc2F)c1 ZINC000273384865 1027406765 /nfs/dbraw/zinc/40/67/65/1027406765.db2.gz JDQQDIMNMLCEIN-GHMZBOCLSA-N -1 3 335.350 3.869 20 10 EHCDHM C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273529632 1027476622 /nfs/dbraw/zinc/47/66/22/1027476622.db2.gz WCJZAHAKOMZKNK-MEBBXXQBSA-N -1 3 332.331 3.614 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1[O-] ZINC000177267090 1034926858 /nfs/dbraw/zinc/92/68/58/1034926858.db2.gz HWAOWCUZCDJMKZ-BFUOFWGJSA-N -1 3 343.398 3.696 20 10 EHCDHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000192992660 1040956273 /nfs/dbraw/zinc/95/62/73/1040956273.db2.gz YFKDOFKIZJLOON-NVXWUHKLSA-N -1 3 325.408 3.896 20 10 EHCDHM CN(Cc1ccncc1)Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367521 1042657850 /nfs/dbraw/zinc/65/78/50/1042657850.db2.gz DKTPDJUUINWLRR-UHFFFAOYSA-N -1 3 341.636 3.835 20 10 EHCDHM C[C@H](Nc1ccccc1SCCC(N)=O)c1ccc(F)cc1[O-] ZINC000186442924 1128557529 /nfs/dbraw/zinc/55/75/29/1128557529.db2.gz VFEWRXNYEMGQQE-NSHDSACASA-N -1 3 334.416 3.672 20 10 EHCDHM CC[C@H](CSc1ccccc1)NC(=O)NCc1c([O-])cccc1F ZINC001670821913 1120313904 /nfs/dbraw/zinc/31/39/04/1120313904.db2.gz CCRHQURVQVHVGV-CYBMUJFWSA-N -1 3 348.443 3.901 20 10 EHCDHM O=C([N-]c1c2nonc2ccc1Cl)c1nsc2ccccc21 ZINC001128704598 1130078031 /nfs/dbraw/zinc/07/80/31/1130078031.db2.gz QNFJQBCGXVONPJ-UHFFFAOYSA-N -1 3 330.756 3.738 20 10 EHCDHM COc1ccc([C@H]2CSCCN2Cc2c([O-])cccc2F)cc1 ZINC001137837451 1130520410 /nfs/dbraw/zinc/52/04/10/1130520410.db2.gz HJBWLHRYSUODHF-QGZVFWFLSA-N -1 3 333.428 3.830 20 10 EHCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@H]1c1ccccc1 ZINC000769503394 1133303375 /nfs/dbraw/zinc/30/33/75/1133303375.db2.gz JWDRQSHBDANILC-INIZCTEOSA-N -1 3 348.240 3.728 20 10 EHCDHM COc1ccccc1-c1cc(CNCc2cc(F)c(F)cc2[O-])on1 ZINC001183074412 1133761727 /nfs/dbraw/zinc/76/17/27/1133761727.db2.gz GDIDZGYHVNOSDK-UHFFFAOYSA-N -1 3 346.333 3.624 20 10 EHCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1Oc1ccncc1 ZINC000787720210 1134028045 /nfs/dbraw/zinc/02/80/45/1134028045.db2.gz IMLJUPFOPBYYOY-UHFFFAOYSA-N -1 3 336.347 3.846 20 10 EHCDHM COc1c([O-])c(CNc2cccc3ccc(C)nc32)ccc1[N+](=O)[O-] ZINC000775052568 1134259859 /nfs/dbraw/zinc/25/98/59/1134259859.db2.gz UCDWSYFDAREHOS-UHFFFAOYSA-N -1 3 339.351 3.778 20 10 EHCDHM COc1ccc2cc(CN(C)C(=O)c3cccc(O)c3[O-])ccc2c1 ZINC000790481498 1134423342 /nfs/dbraw/zinc/42/33/42/1134423342.db2.gz BPALCFJBXMAZSX-UHFFFAOYSA-N -1 3 337.375 3.532 20 10 EHCDHM CN(CCCNC(=O)OC(C)(C)C)Cc1c([O-])ccc(Cl)c1F ZINC000792166982 1134662626 /nfs/dbraw/zinc/66/26/26/1134662626.db2.gz XQILWQWEMVYUFG-UHFFFAOYSA-N -1 3 346.830 3.531 20 10 EHCDHM O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1cccc(O)c1[O-] ZINC000776344320 1136160583 /nfs/dbraw/zinc/16/05/83/1136160583.db2.gz QCPQKLBSVWIUMW-UHFFFAOYSA-N -1 3 333.343 3.581 20 10 EHCDHM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cccc(O)c1[O-] ZINC000776351030 1136162159 /nfs/dbraw/zinc/16/21/59/1136162159.db2.gz XHANDFFNYKTOPQ-OAHLLOKOSA-N -1 3 339.416 3.873 20 10 EHCDHM C[C@H](NCc1cccc(OC2CC2)c1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850521640 1136276599 /nfs/dbraw/zinc/27/65/99/1136276599.db2.gz ZUZLYZROLUXICB-NSHDSACASA-N -1 3 346.358 3.832 20 10 EHCDHM CN(Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)c(F)cc1[O-] ZINC000816481663 1136723347 /nfs/dbraw/zinc/72/33/47/1136723347.db2.gz DVHIIGKUYJFSLB-UHFFFAOYSA-N -1 3 337.778 3.588 20 10 EHCDHM [O-]c1cccc(Br)c1CN1CC=C(C(F)(F)F)CC1 ZINC000862247926 1137135074 /nfs/dbraw/zinc/13/50/74/1137135074.db2.gz DHGQAESKFFOAPI-UHFFFAOYSA-N -1 3 336.151 3.849 20 10 EHCDHM CCc1nc(CN(C)Cc2ccc(Br)cc2[O-])cs1 ZINC000824627419 1137145239 /nfs/dbraw/zinc/14/52/39/1137145239.db2.gz NBBQEHBMVCQZMK-UHFFFAOYSA-N -1 3 341.274 3.806 20 10 EHCDHM C[C@H](O)[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccccc1F ZINC000846017810 1137326305 /nfs/dbraw/zinc/32/63/05/1137326305.db2.gz QLOXQFPDYJIISZ-BJOHPYRUSA-N -1 3 327.758 3.536 20 10 EHCDHM C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000846364275 1137348901 /nfs/dbraw/zinc/34/89/01/1137348901.db2.gz RDXYVUBGZAJTBY-LJQANCHMSA-N -1 3 345.826 3.989 20 10 EHCDHM COc1cc(CN(Cc2ccc(F)c(F)c2[O-])C2CC2)ccc1O ZINC000877424545 1137675919 /nfs/dbraw/zinc/67/59/19/1137675919.db2.gz XXQCRCQOENPNNX-UHFFFAOYSA-N -1 3 335.350 3.549 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000877673838 1137685374 /nfs/dbraw/zinc/68/53/74/1137685374.db2.gz SNMFFUBCBZUPPS-WBVHZDCISA-N -1 3 335.806 3.883 20 10 EHCDHM CC[C@H](Nc1ccc(N(C)C(=O)NC)cc1)c1ccc(F)cc1[O-] ZINC000883318076 1137854507 /nfs/dbraw/zinc/85/45/07/1137854507.db2.gz FGDZLLIIGMMORH-INIZCTEOSA-N -1 3 331.391 3.870 20 10 EHCDHM Cc1ccc(CN[C@H](C)c2c([O-])cccc2F)c(O[C@H]2CCOC2)c1 ZINC000886538152 1138092938 /nfs/dbraw/zinc/09/29/38/1138092938.db2.gz CHCGOHRGBXAWQV-ZBFHGGJFSA-N -1 3 345.414 3.858 20 10 EHCDHM [O-]c1cccc(Cl)c1CNc1cc(F)cc(N2CCOCC2)c1 ZINC000127117826 1138347082 /nfs/dbraw/zinc/34/70/82/1138347082.db2.gz KYTYIIOSQQIILJ-UHFFFAOYSA-N -1 3 336.794 3.633 20 10 EHCDHM CC(C)(C)c1cc(O)c([O-])c(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833450771 604867251 /nfs/dbraw/zinc/86/72/51/604867251.db2.gz ZVRCCHPKXKDGRY-AWEZNQCLSA-N -1 3 349.471 3.718 20 10 EHCDHM CC(C)(C)c1cc(O)c([O-])c(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833450771 604867252 /nfs/dbraw/zinc/86/72/52/604867252.db2.gz ZVRCCHPKXKDGRY-AWEZNQCLSA-N -1 3 349.471 3.718 20 10 EHCDHM C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C(C)(C)CC(=O)[O-] ZINC001598525080 992708874 /nfs/dbraw/zinc/70/88/74/992708874.db2.gz RRNAOGQOYMMYIJ-UHFFFAOYSA-N -1 3 343.423 3.656 20 10 EHCDHM C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])C(C)(C)CC(=O)[O-] ZINC001598525080 992708881 /nfs/dbraw/zinc/70/88/81/992708881.db2.gz RRNAOGQOYMMYIJ-UHFFFAOYSA-N -1 3 343.423 3.656 20 10 EHCDHM CO[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@@H]1C ZINC000894902764 1022058741 /nfs/dbraw/zinc/05/87/41/1022058741.db2.gz LAGDUQLKZCKWPI-ZANVPECISA-N -1 3 348.668 3.665 20 10 EHCDHM C[C@H](c1cccnc1)N(C)Cc1cc(Br)cc(F)c1[O-] ZINC000894448309 1022296009 /nfs/dbraw/zinc/29/60/09/1022296009.db2.gz FMKGTWVLSZTCKV-SNVBAGLBSA-N -1 3 339.208 3.882 20 10 EHCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC2(CCO2)CC1 ZINC000894673090 1022689765 /nfs/dbraw/zinc/68/97/65/1022689765.db2.gz VEAOFVXFUZKUIS-UHFFFAOYSA-N -1 3 346.652 3.563 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000895135475 1024841928 /nfs/dbraw/zinc/84/19/28/1024841928.db2.gz XDHLLRLYNBYFPX-UHFFFAOYSA-N -1 3 325.252 3.537 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2ccc3c(n2)CCCC3)c1[O-] ZINC000277455669 1025163980 /nfs/dbraw/zinc/16/39/80/1025163980.db2.gz ANYOXUFCGVGQHQ-UHFFFAOYSA-N -1 3 347.802 3.517 20 10 EHCDHM COc1ccc(F)cc1[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273404468 1027413451 /nfs/dbraw/zinc/41/34/51/1027413451.db2.gz OAYRRAOFRDOVQQ-QWRGUYRKSA-N -1 3 334.347 3.860 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000188093664 1035893970 /nfs/dbraw/zinc/89/39/70/1035893970.db2.gz DUJOKAPRZIXHCI-CYBMUJFWSA-N -1 3 340.404 3.685 20 10 EHCDHM COc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nc1OC ZINC001168527794 1126830103 /nfs/dbraw/zinc/83/01/03/1126830103.db2.gz KNMQJPMZZOILBM-UHFFFAOYSA-N -1 3 345.786 3.618 20 10 EHCDHM Cc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])cc1[N+](=O)[O-] ZINC001168523975 1122869182 /nfs/dbraw/zinc/86/91/82/1122869182.db2.gz UKBUJIGOTUKNEC-UHFFFAOYSA-N -1 3 344.758 3.818 20 10 EHCDHM CC(C)CNC(=O)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001181306055 1133478082 /nfs/dbraw/zinc/47/80/82/1133478082.db2.gz UIKHJSFDFNLAES-UHFFFAOYSA-N -1 3 334.366 3.668 20 10 EHCDHM CC(C)(C)OC(=O)[C@@]1(C)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC001182203218 1133592503 /nfs/dbraw/zinc/59/25/03/1133592503.db2.gz IFSYMAUFTJIMHV-KRWDZBQOSA-N -1 3 343.826 3.738 20 10 EHCDHM COc1c([O-])c(CN(C)c2cccc(SC)c2)ccc1[N+](=O)[O-] ZINC000775062612 1134274766 /nfs/dbraw/zinc/27/47/66/1134274766.db2.gz DRXSSTCJWCSNTM-UHFFFAOYSA-N -1 3 334.397 3.667 20 10 EHCDHM COc1ccccc1[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790668042 1134448695 /nfs/dbraw/zinc/44/86/95/1134448695.db2.gz JCNPFPDPUPLLEI-IBGZPJMESA-N -1 3 349.386 3.626 20 10 EHCDHM CCc1c(NC(=O)c2ccc(C)c(O)c2[O-])cnn1C(CC)CC ZINC000791615112 1134576974 /nfs/dbraw/zinc/57/69/74/1134576974.db2.gz GXPKTZHYDWXJMR-UHFFFAOYSA-N -1 3 331.416 3.779 20 10 EHCDHM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cccc(Br)c1[O-] ZINC000793231321 1134879409 /nfs/dbraw/zinc/87/94/09/1134879409.db2.gz MILXBZJZAWJAQO-SCZZXKLOSA-N -1 3 338.167 3.927 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2cccc3c2COC3=O)c1 ZINC000809791579 1135892475 /nfs/dbraw/zinc/89/24/75/1135892475.db2.gz PCKJMAKFHHTKBZ-UHFFFAOYSA-N -1 3 348.196 3.746 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCn3c(cc4ccccc43)C2)c1[O-] ZINC000812896915 1136270161 /nfs/dbraw/zinc/27/01/61/1136270161.db2.gz RZYBTEIJCMZXSJ-UHFFFAOYSA-N -1 3 338.382 3.704 20 10 EHCDHM O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1cccc(O)c1[O-] ZINC000776670128 1136531318 /nfs/dbraw/zinc/53/13/18/1136531318.db2.gz MGZSQSHBJACQNY-SFHVURJKSA-N -1 3 337.350 3.756 20 10 EHCDHM COCc1nc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])cs1 ZINC000815628100 1136621357 /nfs/dbraw/zinc/62/13/57/1136621357.db2.gz RJTMSNDFEIFYCO-SECBINFHSA-N -1 3 346.374 3.865 20 10 EHCDHM Cc1ncc(CN(C)Cc2c([O-])cccc2Br)s1 ZINC000862229495 1137133662 /nfs/dbraw/zinc/13/36/62/1137133662.db2.gz XSKCJSJYWKGTOY-UHFFFAOYSA-N -1 3 327.247 3.552 20 10 EHCDHM Cc1cc([C@@H]2CCCN2Cc2ccc(Br)cc2[O-])on1 ZINC000824597234 1137144642 /nfs/dbraw/zinc/14/46/42/1137144642.db2.gz OICLNOAGLRNQQL-ZDUSSCGKSA-N -1 3 337.217 3.788 20 10 EHCDHM C[C@H](NCc1cc(F)cc(F)c1[O-])c1nc(C(F)(F)F)cs1 ZINC000883105394 1137844838 /nfs/dbraw/zinc/84/48/38/1137844838.db2.gz ITXYUKBWQUKAIK-LURJTMIESA-N -1 3 338.301 3.997 20 10 EHCDHM CCCNC(=O)c1cccc(CN[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886505026 1138085268 /nfs/dbraw/zinc/08/52/68/1138085268.db2.gz FPTFHPHFZAKEOW-ZDUSSCGKSA-N -1 3 330.403 3.522 20 10 EHCDHM C[C@@H](Nc1cccc(CN2CCOC2=O)c1)c1c([O-])cccc1F ZINC000886566616 1138098117 /nfs/dbraw/zinc/09/81/17/1138098117.db2.gz VADPEEPLYFFZAH-GFCCVEGCSA-N -1 3 330.359 3.657 20 10 EHCDHM CCS(=O)(=O)Cc1ccc(N[C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886622034 1138103336 /nfs/dbraw/zinc/10/33/36/1138103336.db2.gz IWUKIOBOGBCTKU-LBPRGKRZSA-N -1 3 337.416 3.639 20 10 EHCDHM Cc1cc([O-])c(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1Cl ZINC000826534927 1138214406 /nfs/dbraw/zinc/21/44/06/1138214406.db2.gz MZYBDGFKRNBUIJ-BXUZGUMPSA-N -1 3 337.769 3.944 20 10 EHCDHM C/C(=C\C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000833382241 605076545 /nfs/dbraw/zinc/07/65/45/605076545.db2.gz IANFDQJBKANCNS-STTHAQSSSA-N -1 3 325.408 3.986 20 10 EHCDHM C/C(=C\C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000833382241 605076551 /nfs/dbraw/zinc/07/65/51/605076551.db2.gz IANFDQJBKANCNS-STTHAQSSSA-N -1 3 325.408 3.986 20 10 EHCDHM CC[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccc(OC)cc1 ZINC001595278995 980315575 /nfs/dbraw/zinc/31/55/75/980315575.db2.gz KXJXPPOXTKPVBR-SJKOYZFVSA-N -1 3 329.396 3.901 20 10 EHCDHM O=C1CCCC(=O)N1c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000120251320 1014816927 /nfs/dbraw/zinc/81/69/27/1014816927.db2.gz KTQNXUVLHKVLRU-UHFFFAOYSA-N -1 3 344.798 3.701 20 10 EHCDHM CN(Cc1ccsc1C(=O)[O-])Cc1ccc(N2CCCC2)cc1 ZINC001598519275 992659410 /nfs/dbraw/zinc/65/94/10/992659410.db2.gz NFWNYNBZZVOARC-UHFFFAOYSA-N -1 3 330.453 3.679 20 10 EHCDHM C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593276331 994631920 /nfs/dbraw/zinc/63/19/20/994631920.db2.gz ZJWOIBZTIADFOK-LLVKDONJSA-N -1 3 348.468 3.738 20 10 EHCDHM C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354606 994994686 /nfs/dbraw/zinc/99/46/86/994994686.db2.gz UXANGWVKQJJVKQ-AXAPSJFSSA-N -1 3 347.436 3.723 20 10 EHCDHM CCOC(=O)CN(Cc1ccsc1)Cc1ccc(Cl)cc1[O-] ZINC001140465646 1022355991 /nfs/dbraw/zinc/35/59/91/1022355991.db2.gz PQKDSGBUVWOICQ-UHFFFAOYSA-N -1 3 339.844 3.672 20 10 EHCDHM CCN(CC)c1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000276998852 1023679622 /nfs/dbraw/zinc/67/96/22/1023679622.db2.gz KWFAJPUWBUKLIL-QGZVFWFLSA-N -1 3 332.469 3.900 20 10 EHCDHM O=C([O-])C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(Cl)c1 ZINC000277252639 1024353126 /nfs/dbraw/zinc/35/31/26/1024353126.db2.gz JZEFRUVHNOLDHP-MRXNPFEDSA-N -1 3 331.799 3.581 20 10 EHCDHM [O-]c1c(CN2CCn3cnc(C(F)(F)F)c3C2)ccc2ccccc12 ZINC000895558746 1024609319 /nfs/dbraw/zinc/60/93/19/1024609319.db2.gz CHSHAQROUOWPDT-UHFFFAOYSA-N -1 3 347.340 3.777 20 10 EHCDHM Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(Br)cc2[O-])s1 ZINC000274144220 1027711082 /nfs/dbraw/zinc/71/10/82/1027711082.db2.gz DQUCZEYYTGZCFN-JGVFFNPUSA-N -1 3 342.262 3.726 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)ccc1O ZINC000182477910 1038604297 /nfs/dbraw/zinc/60/42/97/1038604297.db2.gz BBDCLNDODLFQIL-UHFFFAOYSA-N -1 3 335.425 3.597 20 10 EHCDHM CCOc1cc(C)nc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168528232 1126909963 /nfs/dbraw/zinc/90/99/63/1126909963.db2.gz QRBCJPIRMHKZBG-UHFFFAOYSA-N -1 3 344.802 3.703 20 10 EHCDHM Nc1c(Cl)cc(NC(=O)NCc2c([O-])cccc2F)cc1Cl ZINC001670834453 1120326375 /nfs/dbraw/zinc/32/63/75/1120326375.db2.gz QBFOFOSBUHNULG-UHFFFAOYSA-N -1 3 344.173 3.742 20 10 EHCDHM CC(=O)c1cc(F)cc(CN(Cc2ccco2)C[C@H]2CCCO2)c1[O-] ZINC000175596317 1123724437 /nfs/dbraw/zinc/72/44/37/1123724437.db2.gz LFHXJHKWKVDJDR-QGZVFWFLSA-N -1 3 347.386 3.508 20 10 EHCDHM O=C(CCC(F)(F)F)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001143146435 1129479857 /nfs/dbraw/zinc/47/98/57/1129479857.db2.gz QKHCAULRZMFNHL-UHFFFAOYSA-N -1 3 332.709 3.553 20 10 EHCDHM CC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cc(F)ccc1OC ZINC000922619423 1129602020 /nfs/dbraw/zinc/60/20/20/1129602020.db2.gz FHKVYVJUYNLCTQ-HNNXBMFYSA-N -1 3 334.347 3.689 20 10 EHCDHM CN(Cc1cccc(O)c1)Cc1cc(Br)cc(F)c1[O-] ZINC001179845870 1133289995 /nfs/dbraw/zinc/28/99/95/1133289995.db2.gz YQVAVBBHTPQDJR-UHFFFAOYSA-N -1 3 340.192 3.631 20 10 EHCDHM C[C@@H](CC(F)(F)F)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001179870688 1133296725 /nfs/dbraw/zinc/29/67/25/1133296725.db2.gz UWDWXGRMNKPIJF-QMMMGPOBSA-N -1 3 346.736 3.799 20 10 EHCDHM C[C@@H](CC(=O)NCc1cc(Cl)c2cccnc2c1[O-])C(F)(F)F ZINC001180090337 1133321061 /nfs/dbraw/zinc/32/10/61/1133321061.db2.gz BTIPIPCWELDPFZ-QMMMGPOBSA-N -1 3 346.736 3.799 20 10 EHCDHM Cc1ccc(C(=O)Nc2cc(Br)ccc2C)c([O-])c1O ZINC000770486936 1133439715 /nfs/dbraw/zinc/43/97/15/1133439715.db2.gz YPEHSFXDMUYKPQ-UHFFFAOYSA-N -1 3 336.185 3.729 20 10 EHCDHM C[C@@H](NCc1ccc(Cl)cc1[O-])c1nc(Cc2ccccc2)no1 ZINC001181435501 1133492253 /nfs/dbraw/zinc/49/22/53/1133492253.db2.gz DSJCURSRKZXCNC-GFCCVEGCSA-N -1 3 343.814 3.870 20 10 EHCDHM COc1c([O-])c(CN2C[C@@H](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000775057799 1134267249 /nfs/dbraw/zinc/26/72/49/1134267249.db2.gz SQVXVSUDOAMVDW-LBPRGKRZSA-N -1 3 328.368 3.508 20 10 EHCDHM O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cccc(O)c1[O-] ZINC000790496646 1134425851 /nfs/dbraw/zinc/42/58/51/1134425851.db2.gz HRKAUHXUBHOJQH-UHFFFAOYSA-N -1 3 345.358 3.665 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000790516773 1134430012 /nfs/dbraw/zinc/43/00/12/1134430012.db2.gz WZELHCACMAFEMM-IBGZPJMESA-N -1 3 345.398 3.886 20 10 EHCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1OCC(F)(F)F ZINC000790752579 1134457776 /nfs/dbraw/zinc/45/77/76/1134457776.db2.gz CCPFRTFWXQPRMR-UHFFFAOYSA-N -1 3 341.285 3.600 20 10 EHCDHM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1cccc(O)c1[O-] ZINC000790922543 1134478846 /nfs/dbraw/zinc/47/88/46/1134478846.db2.gz PGKAIDWKLAVFEZ-HNNXBMFYSA-N -1 3 327.355 3.603 20 10 EHCDHM CC(C)(C)c1ccc2c(c1)CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000790928859 1134479882 /nfs/dbraw/zinc/47/98/82/1134479882.db2.gz WQEIJPCIXIAOGI-UHFFFAOYSA-N -1 3 325.408 3.594 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000790977320 1134494976 /nfs/dbraw/zinc/49/49/76/1134494976.db2.gz HPYICGBNADPRQD-UHFFFAOYSA-N -1 3 335.762 3.692 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C)c(C)c1O ZINC000775292220 1134615818 /nfs/dbraw/zinc/61/58/18/1134615818.db2.gz WHOYYUCYZXWUCM-UHFFFAOYSA-N -1 3 337.416 3.874 20 10 EHCDHM CN(C)c1ccc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000792036187 1134648124 /nfs/dbraw/zinc/64/81/24/1134648124.db2.gz QXIUAADTHLSTNR-UHFFFAOYSA-N -1 3 334.419 3.884 20 10 EHCDHM CCc1nc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cs1 ZINC001190049186 1134653002 /nfs/dbraw/zinc/65/30/02/1134653002.db2.gz VAPFCUKIDTZESE-UHFFFAOYSA-N -1 3 347.827 3.543 20 10 EHCDHM O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1cccc(O)c1[O-] ZINC000793880489 1134999835 /nfs/dbraw/zinc/99/98/35/1134999835.db2.gz PLCSIVNPQFNALW-UHFFFAOYSA-N -1 3 348.349 3.619 20 10 EHCDHM CC[C@@H](C)c1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1 ZINC001195137808 1135375949 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[O-]c1cc(F)c(Cl)cc1CNCc1ccn(-c2ccccc2)n1 ZINC000816542440 1136731688 /nfs/dbraw/zinc/73/16/88/1136731688.db2.gz OXIHHCLKBHXTFX-UHFFFAOYSA-N -1 3 331.778 3.660 20 10 EHCDHM CCc1nocc1CN(C)Cc1cc(C)cc(Br)c1[O-] ZINC000816652179 1136744786 /nfs/dbraw/zinc/74/47/86/1136744786.db2.gz CBUHTTQSOZMXQM-UHFFFAOYSA-N -1 3 339.233 3.646 20 10 EHCDHM C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000817880751 1136843511 /nfs/dbraw/zinc/84/35/11/1136843511.db2.gz GCNRIRHJDGPMNU-YOEHRIQHSA-N -1 3 325.408 3.744 20 10 EHCDHM C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000817880751 1136843514 /nfs/dbraw/zinc/84/35/14/1136843514.db2.gz GCNRIRHJDGPMNU-YOEHRIQHSA-N -1 3 325.408 3.744 20 10 EHCDHM Cc1ccccc1-c1cnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC001148632009 1137430287 /nfs/dbraw/zinc/43/02/87/1137430287.db2.gz VHOCLQFVCGVCME-UHFFFAOYSA-N -1 3 326.377 3.782 20 10 EHCDHM CC(C)[C@H](NCc1ccc(Br)cc1[O-])C(F)(F)F ZINC000825658951 1137591391 /nfs/dbraw/zinc/59/13/91/1137591391.db2.gz UQXUSMFKFDYWGX-NSHDSACASA-N -1 3 326.156 3.831 20 10 EHCDHM C[C@@H](NC1(c2ncccn2)CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000883311483 1137854094 /nfs/dbraw/zinc/85/40/94/1137854094.db2.gz BGFQLYGXQLDQCO-LLVKDONJSA-N -1 3 337.345 3.931 20 10 EHCDHM CCCN(Cc1cc(Br)ccc1[O-])CC(F)(F)F ZINC000132535686 1137866987 /nfs/dbraw/zinc/86/69/87/1137866987.db2.gz MRICPWHKUYFDDM-UHFFFAOYSA-N -1 3 326.156 3.929 20 10 EHCDHM C[C@@H](Nc1ccc(N2CCOCC2)c(F)c1)c1c([O-])cccc1F ZINC000886583716 1138099047 /nfs/dbraw/zinc/09/90/47/1138099047.db2.gz AZOWAYVEEYLPKB-GFCCVEGCSA-N -1 3 334.366 3.680 20 10 EHCDHM COC(=O)N(C)Cc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000186313922 1140197313 /nfs/dbraw/zinc/19/73/13/1140197313.db2.gz ZFAZQEVMAKNOSH-GFCCVEGCSA-N -1 3 332.375 3.903 20 10 EHCDHM C[N@H+](Cc1c2ccccc2sc1C(=O)[O-])Cc1ccccc1[O-] ZINC000737494582 600142966 /nfs/dbraw/zinc/14/29/66/600142966.db2.gz WCDVNBBBMCWRRG-UHFFFAOYSA-N -1 3 327.405 3.937 20 10 EHCDHM C[N@@H+](Cc1c2ccccc2sc1C(=O)[O-])Cc1ccccc1[O-] ZINC000737494582 600142968 /nfs/dbraw/zinc/14/29/68/600142968.db2.gz WCDVNBBBMCWRRG-UHFFFAOYSA-N -1 3 327.405 3.937 20 10 EHCDHM [O-]c1cccc(Cl)c1CN1CCSC[C@@H]1c1nccs1 ZINC000274522521 1014183133 /nfs/dbraw/zinc/18/31/33/1014183133.db2.gz YRIKBNUJFPDWSW-GFCCVEGCSA-N -1 3 326.874 3.792 20 10 EHCDHM C[C@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593266371 994580097 /nfs/dbraw/zinc/58/00/97/994580097.db2.gz CVTVYMILQHWFJT-GJZGRUSLSA-N -1 3 343.423 3.909 20 10 EHCDHM Cn1cc([C@@H](NCc2c([O-])ccc(Cl)c2F)c2ccccc2)cn1 ZINC000377259432 1017543645 /nfs/dbraw/zinc/54/36/45/1017543645.db2.gz WICRWUPAVACILH-SFHVURJKSA-N -1 3 345.805 3.797 20 10 EHCDHM COc1cc(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1C ZINC000278599734 1031590862 /nfs/dbraw/zinc/59/08/62/1031590862.db2.gz FQQAPWYIDMVDAR-UHFFFAOYSA-N -1 3 332.356 3.547 20 10 EHCDHM Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cc(F)ccc2[O-])o1 ZINC000179966145 1031824175 /nfs/dbraw/zinc/82/41/75/1031824175.db2.gz BYARBTTYXUAOMU-QGZVFWFLSA-N -1 3 339.370 3.522 20 10 EHCDHM O=C(NC(c1cccs1)c1cccs1)c1cccc(O)c1[O-] ZINC000185698037 1126987830 /nfs/dbraw/zinc/98/78/30/1126987830.db2.gz HLDDKUQCOVNXED-UHFFFAOYSA-N -1 3 331.418 3.740 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)NCC1CCc2ccccc2CC1 ZINC001687163005 1120029597 /nfs/dbraw/zinc/02/95/97/1120029597.db2.gz ZNIHPRAHHDMARI-UHFFFAOYSA-N -1 3 342.414 3.526 20 10 EHCDHM Cc1nc(C)c(NCc2cc(Cl)c3cccnc3c2[O-])nc1C ZINC001168521448 1122353696 /nfs/dbraw/zinc/35/36/96/1122353696.db2.gz CBEPZSOBPPDMAP-UHFFFAOYSA-N -1 3 328.803 3.921 20 10 EHCDHM Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncc1[N+](=O)[O-] ZINC001168521720 1122360660 /nfs/dbraw/zinc/36/06/60/1122360660.db2.gz HYKKXZJJXWYXKB-UHFFFAOYSA-N -1 3 344.758 3.818 20 10 EHCDHM Cc1ncsc1CN(C)Cc1cccc(Br)c1[O-] ZINC000179427982 1123746645 /nfs/dbraw/zinc/74/66/45/1123746645.db2.gz MMSZYSUXURTLHU-UHFFFAOYSA-N -1 3 327.247 3.552 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CNCc1nc2c(s1)CCCC2 ZINC000922695091 1129632691 /nfs/dbraw/zinc/63/26/91/1129632691.db2.gz DTBJXTRFGDFTMS-UHFFFAOYSA-N -1 3 326.824 3.810 20 10 EHCDHM CCc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1[O-] ZINC000769671593 1133328541 /nfs/dbraw/zinc/32/85/41/1133328541.db2.gz KOXIOUDUNZPBMU-UHFFFAOYSA-N -1 3 338.451 3.825 20 10 EHCDHM Cc1ccc(N2CCN(Cc3ccc4ccccc4c3[O-])CC2=O)cc1 ZINC001181671177 1133512019 /nfs/dbraw/zinc/51/20/19/1133512019.db2.gz BNMMZBPJAUPOMU-UHFFFAOYSA-N -1 3 346.430 3.703 20 10 EHCDHM Cc1nc(NC(=O)c2cccc(O)c2[O-])sc1Cc1ccccc1 ZINC000772124206 1133644778 /nfs/dbraw/zinc/64/47/78/1133644778.db2.gz QRXPZIOCACQNGM-UHFFFAOYSA-N -1 3 340.404 3.706 20 10 EHCDHM COc1c([O-])c(CN(C)[C@@H](C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000774837741 1134046195 /nfs/dbraw/zinc/04/61/95/1134046195.db2.gz RDKJGFZKAHXMAF-NSHDSACASA-N -1 3 334.347 3.641 20 10 EHCDHM COc1c([O-])c(CN2CC[C@@H](C)C[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774909416 1134117127 /nfs/dbraw/zinc/11/71/27/1134117127.db2.gz MSGKAZAFKGUFQB-IUODEOHRSA-N -1 3 346.383 3.875 20 10 EHCDHM CCOCCS(=O)(=O)[N-]c1ccc(/N=N/c2ccccc2)cc1 ZINC001187280697 1134319472 /nfs/dbraw/zinc/31/94/72/1134319472.db2.gz YBFJIEZDEPVMDM-ISLYRVAYSA-N -1 3 333.413 3.880 20 10 EHCDHM CCN(CC)c1ccc(CN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000790268493 1134392291 /nfs/dbraw/zinc/39/22/91/1134392291.db2.gz RARVOABBGOLREL-OAHLLOKOSA-N -1 3 328.460 3.530 20 10 EHCDHM CCCN(C(=O)c1cccc(O)c1[O-])[C@H](C)c1ccccc1OC ZINC000790597325 1134439807 /nfs/dbraw/zinc/43/98/07/1134439807.db2.gz OARDCKJJGRGBDN-CYBMUJFWSA-N -1 3 329.396 3.720 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2c(Cl)cccc2OC)c1 ZINC000790697309 1134454833 /nfs/dbraw/zinc/45/48/33/1134454833.db2.gz IOVSPFRSOAZIIR-NSHDSACASA-N -1 3 349.814 3.692 20 10 EHCDHM CCCCOC(=O)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001193705820 1135175552 /nfs/dbraw/zinc/17/55/52/1135175552.db2.gz RLWCJRAYFFSNFS-UHFFFAOYSA-N -1 3 339.347 3.516 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1[O-] ZINC000810093618 1135920562 /nfs/dbraw/zinc/92/05/62/1135920562.db2.gz OIVLXIODCDVDDG-SJLPKXTDSA-N -1 3 349.858 3.782 20 10 EHCDHM [O-]c1cccnc1CNC(=S)Nc1cc(Cl)ccc1Cl ZINC001201090062 1135986912 /nfs/dbraw/zinc/98/69/12/1135986912.db2.gz DXSVVNNUDURZSM-UHFFFAOYSA-N -1 3 328.224 3.581 20 10 EHCDHM O=C(Nc1ccccc1N1CCCCCC1)c1cccc(O)c1[O-] ZINC000776614281 1136471061 /nfs/dbraw/zinc/47/10/61/1136471061.db2.gz PXJWCSZXPCBJNH-UHFFFAOYSA-N -1 3 326.396 3.731 20 10 EHCDHM CN(C)c1ccc(CN(Cc2c(F)ccc([O-])c2F)C2CC2)cc1 ZINC000816484483 1136723520 /nfs/dbraw/zinc/72/35/20/1136723520.db2.gz DIISKXKIMQDGND-UHFFFAOYSA-N -1 3 332.394 3.901 20 10 EHCDHM CN(Cc1nccn1CC(F)(F)F)Cc1ccc2ccccc2c1[O-] ZINC000816502775 1136728130 /nfs/dbraw/zinc/72/81/30/1136728130.db2.gz PWHRGSRNMVQZKZ-UHFFFAOYSA-N -1 3 349.356 3.936 20 10 EHCDHM C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000817880740 1136843638 /nfs/dbraw/zinc/84/36/38/1136843638.db2.gz GCNRIRHJDGPMNU-PBHICJAKSA-N -1 3 325.408 3.744 20 10 EHCDHM C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000817880740 1136843642 /nfs/dbraw/zinc/84/36/42/1136843642.db2.gz GCNRIRHJDGPMNU-PBHICJAKSA-N -1 3 325.408 3.744 20 10 EHCDHM CC(C)N(Cc1ccccn1)Cc1c([O-])cccc1Br ZINC000862229591 1137133568 /nfs/dbraw/zinc/13/35/68/1137133568.db2.gz HBWGFZYTXORTIP-UHFFFAOYSA-N -1 3 335.245 3.960 20 10 EHCDHM COc1cccc2c1CN(Cc1cc(Br)ccc1[O-])C2 ZINC000862530066 1137148240 /nfs/dbraw/zinc/14/82/40/1137148240.db2.gz UMHJRKQEPSSGAL-UHFFFAOYSA-N -1 3 334.213 3.679 20 10 EHCDHM CSC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144300054 1137268792 /nfs/dbraw/zinc/26/87/92/1137268792.db2.gz QLQREHBIJWBPSG-UHFFFAOYSA-N -1 3 334.254 3.621 20 10 EHCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1Cl ZINC000126217078 1137386529 /nfs/dbraw/zinc/38/65/29/1137386529.db2.gz VRWKQVRGVCDGPK-QMMMGPOBSA-N -1 3 326.179 3.896 20 10 EHCDHM O=C(Nc1cc(-c2ccccc2)nn1C1CCC1)c1cccc(O)c1[O-] ZINC001148212031 1137419708 /nfs/dbraw/zinc/41/97/08/1137419708.db2.gz IJJCBEOOUBMGAF-UHFFFAOYSA-N -1 3 349.390 3.939 20 10 EHCDHM O=C(Nc1cccc2c(Br)c[nH]c21)c1cccc(O)c1[O-] ZINC001148219967 1137419901 /nfs/dbraw/zinc/41/99/01/1137419901.db2.gz INYJWUUPKDIIJR-UHFFFAOYSA-N -1 3 347.168 3.594 20 10 EHCDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(C(F)(F)F)nc1 ZINC000873185326 1137593128 /nfs/dbraw/zinc/59/31/28/1137593128.db2.gz SNKJQJFTSCKCSC-SECBINFHSA-N -1 3 341.289 3.565 20 10 EHCDHM CN(Cc1ccc(Cl)nc1)Cc1cccc(Br)c1[O-] ZINC000125742619 1137643574 /nfs/dbraw/zinc/64/35/74/1137643574.db2.gz SUNCTWLCINKCOQ-UHFFFAOYSA-N -1 3 341.636 3.835 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(F)c(Br)c2)c([O-])c1O ZINC001137108528 1137656020 /nfs/dbraw/zinc/65/60/20/1137656020.db2.gz FCHYAKTZJBEPHB-UHFFFAOYSA-N -1 3 340.148 3.560 20 10 EHCDHM Cn1c2ccccc2nc1C(C)(C)NCc1ccc(F)c(F)c1[O-] ZINC000877397957 1137675380 /nfs/dbraw/zinc/67/53/80/1137675380.db2.gz BWCFRBQUKZDJQL-UHFFFAOYSA-N -1 3 331.366 3.582 20 10 EHCDHM COC[C@@H](NCc1ccc(F)c(F)c1[O-])c1cccc(Cl)c1 ZINC000877537848 1137680306 /nfs/dbraw/zinc/68/03/06/1137680306.db2.gz QMRFVIVZDDZCDR-CQSZACIVSA-N -1 3 327.758 3.801 20 10 EHCDHM CC(=O)Nc1cccc2c1CN(Cc1c([O-])cccc1Cl)CC2 ZINC000877681607 1137685602 /nfs/dbraw/zinc/68/56/02/1137685602.db2.gz QJOOOFSIHZBFQJ-UHFFFAOYSA-N -1 3 330.815 3.562 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cncc(C)c2)c1[O-] ZINC000879748222 1137757679 /nfs/dbraw/zinc/75/76/79/1137757679.db2.gz ACKNNHIUQSURML-GOSISDBHSA-N -1 3 328.387 3.774 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cncc(C)c2)c1[O-] ZINC000879748224 1137757688 /nfs/dbraw/zinc/75/76/88/1137757688.db2.gz ACKNNHIUQSURML-SFHVURJKSA-N -1 3 328.387 3.774 20 10 EHCDHM CC[C@@H](Nc1ccc(N(C)C(=O)NC)cc1)c1ccc(F)cc1[O-] ZINC000883318077 1137854501 /nfs/dbraw/zinc/85/45/01/1137854501.db2.gz FGDZLLIIGMMORH-MRXNPFEDSA-N -1 3 331.391 3.870 20 10 EHCDHM CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000186291536 1140197067 /nfs/dbraw/zinc/19/70/67/1140197067.db2.gz GFFRHRZPISGVTB-NWDGAFQWSA-N -1 3 332.375 3.678 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC([C@@H]3CCCO3)CC2)c1[O-] ZINC000189241389 1140329085 /nfs/dbraw/zinc/32/90/85/1140329085.db2.gz HGNIXXTVEVOFMF-KRWDZBQOSA-N -1 3 337.847 3.639 20 10 EHCDHM Cc1ccc(C(=O)N2CCCc3cc(OC(F)F)ccc32)c([O-])c1O ZINC000182198772 1032076108 /nfs/dbraw/zinc/07/61/08/1032076108.db2.gz GCMVGXLURPJEEO-UHFFFAOYSA-N -1 3 349.333 3.601 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2ccncc2)c1[O-] ZINC000153989309 1014754546 /nfs/dbraw/zinc/75/45/46/1014754546.db2.gz FJGJVVUJKLMHJQ-QGZVFWFLSA-N -1 3 330.815 3.980 20 10 EHCDHM CCCOCc1ccccc1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001595947294 983115495 /nfs/dbraw/zinc/11/54/95/983115495.db2.gz UONWTTJHRYNTSW-AWEZNQCLSA-N -1 3 343.423 3.868 20 10 EHCDHM C[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598530584 992775054 /nfs/dbraw/zinc/77/50/54/992775054.db2.gz MSMALRWKVZULRV-HNNXBMFYSA-N -1 3 340.206 3.957 20 10 EHCDHM C[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598530584 992775062 /nfs/dbraw/zinc/77/50/62/992775062.db2.gz MSMALRWKVZULRV-HNNXBMFYSA-N -1 3 340.206 3.957 20 10 EHCDHM C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593286170 994642770 /nfs/dbraw/zinc/64/27/70/994642770.db2.gz PDRXZCMKOPWDKT-URKNILKWSA-N -1 3 341.407 3.661 20 10 EHCDHM CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599063435 999282295 /nfs/dbraw/zinc/28/22/95/999282295.db2.gz JTLDDGDTHDFBTA-PZROIBLQSA-N -1 3 347.386 3.656 20 10 EHCDHM COCC1(C)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894425506 1022267594 /nfs/dbraw/zinc/26/75/94/1022267594.db2.gz WRYUQKLWTUOAMO-UHFFFAOYSA-N -1 3 346.240 3.542 20 10 EHCDHM CSC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895414786 1024487807 /nfs/dbraw/zinc/48/78/07/1024487807.db2.gz JEQAIJFIIZKCIX-UHFFFAOYSA-N -1 3 334.254 3.621 20 10 EHCDHM COc1cccc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])c1 ZINC000320764042 1024633592 /nfs/dbraw/zinc/63/35/92/1024633592.db2.gz PBSUYUQDZKQJAW-UHFFFAOYSA-N -1 3 333.815 3.889 20 10 EHCDHM COc1cc(Cl)ccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273584287 1027504996 /nfs/dbraw/zinc/50/49/96/1027504996.db2.gz NIHVMXIYABENTM-SNVBAGLBSA-N -1 3 336.775 3.813 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN1CCC(OC2CCCCC2)CC1 ZINC000893986266 1039941179 /nfs/dbraw/zinc/94/11/79/1039941179.db2.gz JMCLCKBZEFIGQL-UHFFFAOYSA-N -1 3 325.399 3.984 20 10 EHCDHM CCOC[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894026483 1039993325 /nfs/dbraw/zinc/99/33/25/1039993325.db2.gz LPLWWPMFAHRFTG-NSHDSACASA-N -1 3 346.240 3.542 20 10 EHCDHM CN(CCc1cccc(C(F)(F)F)n1)Cc1c(F)ccc(F)c1[O-] ZINC001139685520 1043206814 /nfs/dbraw/zinc/20/68/14/1043206814.db2.gz MMPNSPORAVYHIS-UHFFFAOYSA-N -1 3 346.299 3.759 20 10 EHCDHM CC[C@H](NCc1ncc(Br)s1)c1ccc(F)cc1[O-] ZINC000866619868 1137369997 /nfs/dbraw/zinc/36/99/97/1137369997.db2.gz ILWUNHLIPDQTFO-JTQLQIEISA-N -1 3 345.237 3.991 20 10 EHCDHM CC(C)Oc1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncn1 ZINC001168528281 1126908342 /nfs/dbraw/zinc/90/83/42/1126908342.db2.gz SDLMKVOURFIPGO-UHFFFAOYSA-N -1 3 344.802 3.783 20 10 EHCDHM C[C@H](N[C@@H](C)c1cc(F)ccc1[O-])c1noc(Cc2ccccc2)n1 ZINC000185667463 1126976066 /nfs/dbraw/zinc/97/60/66/1126976066.db2.gz HZYSDVMQTVCNTR-STQMWFEESA-N -1 3 341.386 3.917 20 10 EHCDHM CC(=O)c1cc(F)cc(CN(C)Cc2nc3ccccc3o2)c1[O-] ZINC000153868026 1122068509 /nfs/dbraw/zinc/06/85/09/1122068509.db2.gz IXFBRGDZDCNBCF-UHFFFAOYSA-N -1 3 328.343 3.507 20 10 EHCDHM CC(C)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000916745490 1122341906 /nfs/dbraw/zinc/34/19/06/1122341906.db2.gz COIPNKQKRRBOIX-UHFFFAOYSA-N -1 3 326.440 3.854 20 10 EHCDHM CCCOc1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168522011 1122374656 /nfs/dbraw/zinc/37/46/56/1122374656.db2.gz NIROBGMQPBGTLR-UHFFFAOYSA-N -1 3 344.802 3.785 20 10 EHCDHM Nc1noc2cc(NCc3cc(Cl)c4cccnc4c3[O-])ccc12 ZINC001168526204 1125008959 /nfs/dbraw/zinc/00/89/59/1125008959.db2.gz SVXNFTLXZKQFDR-UHFFFAOYSA-N -1 3 340.770 3.929 20 10 EHCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c(Br)s1 ZINC001178413086 1133167631 /nfs/dbraw/zinc/16/76/31/1133167631.db2.gz NRCBNZVYROHHBK-UHFFFAOYSA-N -1 3 344.205 3.594 20 10 EHCDHM [O-]c1cccc(Cl)c1CN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000769328443 1133262891 /nfs/dbraw/zinc/26/28/91/1133262891.db2.gz OVJUNJNNNQGKPK-UHFFFAOYSA-N -1 3 327.815 3.971 20 10 EHCDHM Cc1ccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)c([O-])c1O ZINC000770481844 1133438706 /nfs/dbraw/zinc/43/87/06/1133438706.db2.gz VOGJVUXNHNDFPH-UHFFFAOYSA-N -1 3 341.285 3.600 20 10 EHCDHM [O-]c1ccc(Cl)cc1CNCc1ncc(Br)cc1F ZINC001182684111 1133717590 /nfs/dbraw/zinc/71/75/90/1133717590.db2.gz JVCJVDOEKFAVDP-UHFFFAOYSA-N -1 3 345.599 3.632 20 10 EHCDHM COc1c([O-])c(CN2CC(C)(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774853649 1134067816 /nfs/dbraw/zinc/06/78/16/1134067816.db2.gz PSWLKVACIDGUCA-GOSISDBHSA-N -1 3 342.395 3.892 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c(C)cc1O ZINC001185521289 1134102485 /nfs/dbraw/zinc/10/24/85/1134102485.db2.gz NUSIJLKPXRGFQT-UHFFFAOYSA-N -1 3 325.817 3.772 20 10 EHCDHM C[C@H](NCc1ncnn1C(C)(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000788822063 1134177571 /nfs/dbraw/zinc/17/75/71/1134177571.db2.gz IXQFBLDJEPVRMT-JTQLQIEISA-N -1 3 342.365 3.608 20 10 EHCDHM Cc1cc(C)nc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001188146908 1134433907 /nfs/dbraw/zinc/43/39/07/1134433907.db2.gz KUWKLAFZHLHZLL-UHFFFAOYSA-N -1 3 341.798 3.536 20 10 EHCDHM CC(C)(NCc1c([O-])ccc(Cl)c1F)C(=O)Nc1ccccc1 ZINC000790960858 1134485744 /nfs/dbraw/zinc/48/57/44/1134485744.db2.gz JANPYTOQTSQEBJ-UHFFFAOYSA-N -1 3 336.794 3.692 20 10 EHCDHM Cc1ccc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)c([O-])c1O ZINC000793718594 1134983425 /nfs/dbraw/zinc/98/34/25/1134983425.db2.gz POROUZTYRFJQGM-UHFFFAOYSA-N -1 3 349.346 3.566 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3ccccc3)CC2)c1[O-] ZINC001198705011 1135850333 /nfs/dbraw/zinc/85/03/33/1135850333.db2.gz GGEOLXJBPDDKAT-LJQANCHMSA-N -1 3 343.398 3.698 20 10 EHCDHM [O-]c1ccc(Br)cc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000809712922 1135876131 /nfs/dbraw/zinc/87/61/31/1135876131.db2.gz GOJOVWUSYXYHSQ-UHFFFAOYSA-N -1 3 342.620 3.804 20 10 EHCDHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000775990276 1135912952 /nfs/dbraw/zinc/91/29/52/1135912952.db2.gz PZUOWXAGZJMGPX-KRWDZBQOSA-N -1 3 339.769 3.897 20 10 EHCDHM CC[C@@H](NCc1csc(COC)n1)c1cc(Cl)ccc1[O-] ZINC000810252231 1135948191 /nfs/dbraw/zinc/94/81/91/1135948191.db2.gz ANHADFDWNDRMPY-CYBMUJFWSA-N -1 3 326.849 3.889 20 10 EHCDHM [O-]c1cccnc1CNC(=S)Nc1cccc(Cl)c1Cl ZINC001201022462 1135973691 /nfs/dbraw/zinc/97/36/91/1135973691.db2.gz ZXVGSSSLXIUOMJ-UHFFFAOYSA-N -1 3 328.224 3.581 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc3c(cn2)CCCC3)c1 ZINC000812738982 1136240650 /nfs/dbraw/zinc/24/06/50/1136240650.db2.gz GMTGPXZRVMCVOY-GFCCVEGCSA-N -1 3 326.396 3.626 20 10 EHCDHM COC[C@H](NCc1c([O-])ccc(Cl)c1F)c1cccc(OC)c1 ZINC000850362166 1136241116 /nfs/dbraw/zinc/24/11/16/1136241116.db2.gz IMGZYPBRMNXEPB-HNNXBMFYSA-N -1 3 339.794 3.671 20 10 EHCDHM O=C([O-])[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CCC1 ZINC000854245939 1136601153 /nfs/dbraw/zinc/60/11/53/1136601153.db2.gz NCGUDQLXMCBJOR-GOSISDBHSA-N -1 3 325.408 3.650 20 10 EHCDHM COC(=O)c1cc(CN(C)Cc2cc(Cl)c(F)cc2[O-])oc1C ZINC000816483217 1136723445 /nfs/dbraw/zinc/72/34/45/1136723445.db2.gz KBWSLQRCLNZOBD-UHFFFAOYSA-N -1 3 341.766 3.505 20 10 EHCDHM COc1ccc(N2CCCN(Cc3cccc([O-])c3Cl)CC2)cc1 ZINC000816495035 1136724749 /nfs/dbraw/zinc/72/47/49/1136724749.db2.gz HXPUNKOEARGAOK-UHFFFAOYSA-N -1 3 346.858 3.767 20 10 EHCDHM COC(=O)c1cnc([C@H](C)N[C@@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000818357108 1136875746 /nfs/dbraw/zinc/87/57/46/1136875746.db2.gz VPLHUDZFASIJQR-IUCAKERBSA-N -1 3 340.832 3.701 20 10 EHCDHM COC[C@@H](NCc1c([O-])cccc1Br)c1ccc(C)o1 ZINC000858147893 1136944132 /nfs/dbraw/zinc/94/41/32/1136944132.db2.gz CXZABJHHQVZGOR-CYBMUJFWSA-N -1 3 340.217 3.533 20 10 EHCDHM CCCN(C)c1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000862538299 1137148791 /nfs/dbraw/zinc/14/87/91/1137148791.db2.gz PVKCCYJIWWWYIF-UHFFFAOYSA-N -1 3 345.399 3.767 20 10 EHCDHM Cc1cc([O-])c(CN2CCN([C@@H](C)c3cccnc3)CC2)cc1Cl ZINC000824813722 1137153614 /nfs/dbraw/zinc/15/36/14/1137153614.db2.gz IJNOKKZQPORODU-HNNXBMFYSA-N -1 3 345.874 3.628 20 10 EHCDHM CCn1ccnc1[C@H](C)NCc1cc(C)cc(Br)c1[O-] ZINC000825005571 1137160076 /nfs/dbraw/zinc/16/00/76/1137160076.db2.gz PLAJWUKJTXMVFP-NSHDSACASA-N -1 3 338.249 3.530 20 10 EHCDHM Cc1nc(C2(NCc3cc(Cl)c(C)cc3[O-])CCCCC2)no1 ZINC000825197124 1137169800 /nfs/dbraw/zinc/16/98/00/1137169800.db2.gz GWEZLFCGKUDMQT-UHFFFAOYSA-N -1 3 335.835 3.995 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCC[C@]2(CC2(F)F)C1 ZINC000846107529 1137332869 /nfs/dbraw/zinc/33/28/69/1137332869.db2.gz IXDJGDBXAAINGL-ZDUSSCGKSA-N -1 3 332.188 3.776 20 10 EHCDHM C[C@H](c1cccc(NCc2ccc(F)c(F)c2[O-])c1)N1CCOCC1 ZINC000876858292 1137663887 /nfs/dbraw/zinc/66/38/87/1137663887.db2.gz ASXOJYMCGKLZJD-CYBMUJFWSA-N -1 3 348.393 3.676 20 10 EHCDHM Cc1cc([O-])c([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)cc1Cl ZINC000877857716 1137693685 /nfs/dbraw/zinc/69/36/85/1137693685.db2.gz YJCCWXXKYHZFSZ-INIZCTEOSA-N -1 3 336.863 3.753 20 10 EHCDHM C[C@H](NC1(c2ncccn2)CCC1)c1cc(Br)ccc1[O-] ZINC000883311738 1137854076 /nfs/dbraw/zinc/85/40/76/1137854076.db2.gz KBYLXDIVIZSRNA-NSHDSACASA-N -1 3 348.244 3.675 20 10 EHCDHM COc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1N1CCOC1=O ZINC000186328546 1140198075 /nfs/dbraw/zinc/19/80/75/1140198075.db2.gz LFFKEFPNYQSDGN-LLVKDONJSA-N -1 3 346.358 3.670 20 10 EHCDHM COc1cc(N[C@@H](C)c2ccc(F)cc2[O-])ccc1N1CCCC1=O ZINC000186381699 1140200856 /nfs/dbraw/zinc/20/08/56/1140200856.db2.gz MKHCEBMKTUAGBL-LBPRGKRZSA-N -1 3 344.386 3.840 20 10 EHCDHM COC[C@@H](N[C@H](C)c1ccc(F)c(F)c1[O-])c1ccc(F)c(F)c1 ZINC000187828653 1140273194 /nfs/dbraw/zinc/27/31/94/1140273194.db2.gz BONCFAJZRSWWHU-RFAUZJTJSA-N -1 3 343.320 3.987 20 10 EHCDHM Cc1cc(N(C)C)ccc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000737269675 599063238 /nfs/dbraw/zinc/06/32/38/599063238.db2.gz GBMWGXLJLVONAV-UHFFFAOYSA-N -1 3 342.834 3.507 20 10 EHCDHM Cc1cc(N(C)C)ccc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000737269675 599063241 /nfs/dbraw/zinc/06/32/41/599063241.db2.gz GBMWGXLJLVONAV-UHFFFAOYSA-N -1 3 342.834 3.507 20 10 EHCDHM C/C(=C/C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)C(=O)[O-] ZINC000833382238 605076575 /nfs/dbraw/zinc/07/65/75/605076575.db2.gz IANFDQJBKANCNS-RTYFKUQISA-N -1 3 325.408 3.986 20 10 EHCDHM C/C(=C/C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1)C(=O)[O-] ZINC000833382238 605076581 /nfs/dbraw/zinc/07/65/81/605076581.db2.gz IANFDQJBKANCNS-RTYFKUQISA-N -1 3 325.408 3.986 20 10 EHCDHM CC(C)Oc1ccc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001591777039 975932362 /nfs/dbraw/zinc/93/23/62/975932362.db2.gz YDMVWDPOZDHDSC-AWEZNQCLSA-N -1 3 343.423 3.771 20 10 EHCDHM CCC[N@H+](Cc1cc(C(=O)[O-])c2n1CCCC2)Cc1ccccc1[O-] ZINC001595891620 982927616 /nfs/dbraw/zinc/92/76/16/982927616.db2.gz WNTORBBBQKCAEK-UHFFFAOYSA-N -1 3 342.439 3.640 20 10 EHCDHM CCC[N@@H+](Cc1cc(C(=O)[O-])c2n1CCCC2)Cc1ccccc1[O-] ZINC001595891620 982927619 /nfs/dbraw/zinc/92/76/19/982927619.db2.gz WNTORBBBQKCAEK-UHFFFAOYSA-N -1 3 342.439 3.640 20 10 EHCDHM COc1ccc(O)c([C@@H](C)NCc2cccc(C(=O)[O-])c2Cl)c1 ZINC001599598691 993783696 /nfs/dbraw/zinc/78/36/96/993783696.db2.gz QAOOUXNNNJZEAQ-SNVBAGLBSA-N -1 3 335.787 3.603 20 10 EHCDHM C[C@H]([NH2+]CCCn1ccc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593266238 994578210 /nfs/dbraw/zinc/57/82/10/994578210.db2.gz BQEABVLGFPFWRT-AWEZNQCLSA-N -1 3 338.407 3.786 20 10 EHCDHM C[C@@H]([NH2+]CCc1nsc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274795 994626416 /nfs/dbraw/zinc/62/64/16/994626416.db2.gz OEFNCKFKLMARQZ-LLVKDONJSA-N -1 3 342.420 3.593 20 10 EHCDHM CC[C@@H](C)c1nnc([C@H](C)NCc2cc(Cl)cc(F)c2[O-])[nH]1 ZINC000754154826 1016735042 /nfs/dbraw/zinc/73/50/42/1016735042.db2.gz QYUARDPUCHBJGV-BDAKNGLRSA-N -1 3 326.803 3.667 20 10 EHCDHM CC[C@@H](C)c1nc([C@H](C)NCc2cc(Cl)cc(F)c2[O-])n[nH]1 ZINC000754154826 1016735055 /nfs/dbraw/zinc/73/50/55/1016735055.db2.gz QYUARDPUCHBJGV-BDAKNGLRSA-N -1 3 326.803 3.667 20 10 EHCDHM O=C(c1ccc(F)cc1)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894593670 1022605367 /nfs/dbraw/zinc/60/53/67/1022605367.db2.gz WOUSJRBQZONXES-UHFFFAOYSA-N -1 3 349.352 3.904 20 10 EHCDHM COCCN(Cc1c([O-])ccc2ccc(OC)cc21)CC(F)(F)F ZINC000063281764 1033172150 /nfs/dbraw/zinc/17/21/50/1033172150.db2.gz OOIAKAMFZNRHIW-UHFFFAOYSA-N -1 3 343.345 3.565 20 10 EHCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000895149437 1025129277 /nfs/dbraw/zinc/12/92/77/1025129277.db2.gz HBVIPBJMTZOWSR-GFCCVEGCSA-N -1 3 336.151 3.525 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nc(C(C)(C)C)cs2)c1 ZINC000273615743 1027520482 /nfs/dbraw/zinc/52/04/82/1027520482.db2.gz XGZKUQHHFZFFOC-NSHDSACASA-N -1 3 348.468 3.784 20 10 EHCDHM CC(C)O[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000404586965 1029810879 /nfs/dbraw/zinc/81/08/79/1029810879.db2.gz VDPOCZSNXPNYNH-CYBMUJFWSA-N -1 3 328.250 3.544 20 10 EHCDHM CN(C)c1cc(F)c(CNCc2cccc(Cl)c2[O-])cc1F ZINC000898216549 1033373635 /nfs/dbraw/zinc/37/36/35/1033373635.db2.gz YRNKINIVOCZYSG-UHFFFAOYSA-N -1 3 326.774 3.680 20 10 EHCDHM Cn1cc([C@H](NCc2cccc(Cl)c2[O-])c2ccc(F)cc2)cn1 ZINC000187527028 1035834038 /nfs/dbraw/zinc/83/40/38/1035834038.db2.gz VLRYXVXUVVPDEJ-QGZVFWFLSA-N -1 3 345.805 3.797 20 10 EHCDHM CCOc1ccc(N(C)Cc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000150730425 1039911692 /nfs/dbraw/zinc/91/16/92/1039911692.db2.gz KVWPEMUTWPKGKU-UHFFFAOYSA-N -1 3 349.390 3.704 20 10 EHCDHM CC(C)Oc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001168527874 1126830237 /nfs/dbraw/zinc/83/02/37/1126830237.db2.gz NZCIIFPLCUZEFV-UHFFFAOYSA-N -1 3 344.802 3.783 20 10 EHCDHM C[C@@H](Nc1ccn(CCc2ccncc2)n1)c1ccc(F)cc1[O-] ZINC000186334379 1128394579 /nfs/dbraw/zinc/39/45/79/1128394579.db2.gz FORVKSGAYUYOEZ-CYBMUJFWSA-N -1 3 326.375 3.539 20 10 EHCDHM Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])c2ncnn2c1 ZINC001168521958 1122364612 /nfs/dbraw/zinc/36/46/12/1122364612.db2.gz MHUDTLYSWQGMRH-UHFFFAOYSA-N -1 3 339.786 3.557 20 10 EHCDHM CCCNc1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168523519 1122741369 /nfs/dbraw/zinc/74/13/69/1122741369.db2.gz DWBVSMIMGFUIHX-UHFFFAOYSA-N -1 3 343.818 3.818 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000921374969 1123530244 /nfs/dbraw/zinc/53/02/44/1123530244.db2.gz DQQJBUKNFCOVHL-QWRGUYRKSA-N -1 3 348.340 3.699 20 10 EHCDHM Cc1cccc(NC(=O)CN(C)Cc2cc(Cl)ccc2[O-])c1C ZINC000179653921 1123818569 /nfs/dbraw/zinc/81/85/69/1123818569.db2.gz AJNZYFKIGWBHBA-UHFFFAOYSA-N -1 3 332.831 3.733 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCC(C(F)(F)F)CC1 ZINC000179951485 1123905388 /nfs/dbraw/zinc/90/53/88/1123905388.db2.gz USJIIQNHHNXPHE-UHFFFAOYSA-N -1 3 338.167 3.929 20 10 EHCDHM N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1c(F)ccc([O-])c1F ZINC001175263885 1132622023 /nfs/dbraw/zinc/62/20/23/1132622023.db2.gz VPFYASRTSYKORS-NNDYQBKXSA-N -1 3 341.321 3.938 20 10 EHCDHM [O-]c1cc(Br)ccc1CN1CCOC[C@H]1c1ccccc1 ZINC001180058303 1133323341 /nfs/dbraw/zinc/32/33/41/1133323341.db2.gz QBRJBQQQPDBZPE-INIZCTEOSA-N -1 3 348.240 3.728 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN(Cc1cccs1)C[C@H]1CCCO1 ZINC001180573697 1133388060 /nfs/dbraw/zinc/38/80/60/1133388060.db2.gz BCQUFRXHPLXYDW-CQSZACIVSA-N -1 3 339.407 3.913 20 10 EHCDHM COCCn1ncc2ccc(NCc3c([O-])cccc3Cl)cc21 ZINC000770540761 1133443486 /nfs/dbraw/zinc/44/34/86/1133443486.db2.gz MGQMRLQAFRNMFN-UHFFFAOYSA-N -1 3 331.803 3.654 20 10 EHCDHM CCC(C)(C)OC1CN(Cc2c([O-])cccc2Br)C1 ZINC001182918951 1133742760 /nfs/dbraw/zinc/74/27/60/1133742760.db2.gz SONPWONIMFQHPK-UHFFFAOYSA-N -1 3 328.250 3.544 20 10 EHCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(CCF)CC1 ZINC001183249359 1133785952 /nfs/dbraw/zinc/78/59/52/1133785952.db2.gz YUZXIHMDCDAXDQ-UHFFFAOYSA-N -1 3 334.204 3.865 20 10 EHCDHM COc1ccc2c(c1)[C@@H](NCc1c([O-])ccc(Cl)c1F)CCO2 ZINC000790989487 1134489530 /nfs/dbraw/zinc/48/95/30/1134489530.db2.gz FVMBBNWFLSGARX-AWEZNQCLSA-N -1 3 337.778 3.807 20 10 EHCDHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000775288757 1134618314 /nfs/dbraw/zinc/61/83/14/1134618314.db2.gz RJXGARCMYXEQGK-UHFFFAOYSA-N -1 3 349.452 3.907 20 10 EHCDHM Cc1ccc([N-]S(=O)(=O)CC2CCC2)c(C(=O)c2ccccc2)c1 ZINC001193515633 1135150107 /nfs/dbraw/zinc/15/01/07/1135150107.db2.gz QMJPDRGREVFLGG-UHFFFAOYSA-N -1 3 343.448 3.768 20 10 EHCDHM CC[C@H](C)OC(=O)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001195125956 1135374379 /nfs/dbraw/zinc/37/43/79/1135374379.db2.gz SLBFMLSMIUOLMJ-JTQLQIEISA-N -1 3 339.347 3.515 20 10 EHCDHM O=S(=O)([N-]CC(F)(F)F)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197148348 1135653982 /nfs/dbraw/zinc/65/39/82/1135653982.db2.gz MVXLHEAGNPIDSR-FMQUCBEESA-N -1 3 343.330 3.943 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN(C)Cc2ccccc2N(C)C)c1[O-] ZINC000808785382 1135737184 /nfs/dbraw/zinc/73/71/84/1135737184.db2.gz DXENYCJNBYBVEW-UHFFFAOYSA-N -1 3 346.858 3.946 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N(CCc1ccccc1)Cc1ccccc1 ZINC000776616830 1136477435 /nfs/dbraw/zinc/47/74/35/1136477435.db2.gz UXKIDESKESBBJP-UHFFFAOYSA-N -1 3 347.414 3.983 20 10 EHCDHM C[C@@H](NCc1cnccc1C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000853241818 1136521523 /nfs/dbraw/zinc/52/15/23/1136521523.db2.gz NMUPMSYIOVWGGC-MRVPVSSYSA-N -1 3 332.272 3.935 20 10 EHCDHM CC(C)(C)c1nnc(CNCc2ccc3ccccc3c2[O-])s1 ZINC000816556332 1136736058 /nfs/dbraw/zinc/73/60/58/1136736058.db2.gz GJFAOECOTZXEHF-UHFFFAOYSA-N -1 3 327.453 3.984 20 10 EHCDHM C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631781 1136886665 /nfs/dbraw/zinc/88/66/65/1136886665.db2.gz PVMIEZYIXYAZFZ-KUHUBIRLSA-N -1 3 325.408 3.744 20 10 EHCDHM C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631781 1136886668 /nfs/dbraw/zinc/88/66/68/1136886668.db2.gz PVMIEZYIXYAZFZ-KUHUBIRLSA-N -1 3 325.408 3.744 20 10 EHCDHM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000822349854 1137057921 /nfs/dbraw/zinc/05/79/21/1137057921.db2.gz LUBZHQWBERLYCV-INIZCTEOSA-N -1 3 331.387 3.576 20 10 EHCDHM Cc1cc([O-])c(CN2CCO[C@H](c3cccc(O)c3)C2)cc1Cl ZINC000824820065 1137153941 /nfs/dbraw/zinc/15/39/41/1137153941.db2.gz ZBFJPGIISWNSQG-SFHVURJKSA-N -1 3 333.815 3.633 20 10 EHCDHM Cc1ccc(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)c([O-])c1O ZINC001136941308 1137154111 /nfs/dbraw/zinc/15/41/11/1137154111.db2.gz NTGPPSKHCDONRI-UHFFFAOYSA-N -1 3 329.400 3.819 20 10 EHCDHM C[C@@]1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C[C@@H]2C=C[C@H]1C2 ZINC001144286569 1137266835 /nfs/dbraw/zinc/26/68/35/1137266835.db2.gz UQSXCRSURHEKGX-RGIROJJOSA-N -1 3 342.826 3.812 20 10 EHCDHM Cc1ncccc1CN(C)Cc1cc(Br)c(F)cc1[O-] ZINC001144307614 1137270967 /nfs/dbraw/zinc/27/09/67/1137270967.db2.gz BVQGYZCKLBCPQA-UHFFFAOYSA-N -1 3 339.208 3.629 20 10 EHCDHM C[C@@H](O)[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccccc1F ZINC000846017815 1137326244 /nfs/dbraw/zinc/32/62/44/1137326244.db2.gz QLOXQFPDYJIISZ-RFAUZJTJSA-N -1 3 327.758 3.536 20 10 EHCDHM CCn1cc(CN(Cc2cc(Cl)c(F)cc2[O-])C(C)C)cn1 ZINC000846055398 1137331019 /nfs/dbraw/zinc/33/10/19/1137331019.db2.gz LRUYFWQLLJZHHK-UHFFFAOYSA-N -1 3 325.815 3.812 20 10 EHCDHM COc1cccc([C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2(C)C)c1 ZINC000881657620 1137812940 /nfs/dbraw/zinc/81/29/40/1137812940.db2.gz ZYJVPHGEXWRJTA-INIZCTEOSA-N -1 3 341.407 3.515 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CNCc1ccccc1OCC(F)(F)F ZINC000882910262 1137837765 /nfs/dbraw/zinc/83/77/65/1137837765.db2.gz NWRMQFSEDBKUKW-UHFFFAOYSA-N -1 3 347.283 3.901 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000883136125 1137845962 /nfs/dbraw/zinc/84/59/62/1137845962.db2.gz VNMWWEDJISILAY-LBPRGKRZSA-N -1 3 329.268 3.865 20 10 EHCDHM Cc1ccc(N[C@H](C)c2c([O-])cccc2F)cc1N1CCOC1=O ZINC000886581709 1138099019 /nfs/dbraw/zinc/09/90/19/1138099019.db2.gz KXYXXKLNYGIMAR-GFCCVEGCSA-N -1 3 330.359 3.969 20 10 EHCDHM COc1cc2c(cc1N[C@H](C)c1c([O-])cccc1F)NC(=O)CC2 ZINC000886591870 1138100292 /nfs/dbraw/zinc/10/02/92/1138100292.db2.gz DHLYYYANEMAAJP-SNVBAGLBSA-N -1 3 330.359 3.598 20 10 EHCDHM COC[C@@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1ccc(F)c(F)c1 ZINC000187828622 1140272930 /nfs/dbraw/zinc/27/29/30/1140272930.db2.gz BONCFAJZRSWWHU-BJOHPYRUSA-N -1 3 343.320 3.987 20 10 EHCDHM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC001573879398 961262779 /nfs/dbraw/zinc/26/27/79/961262779.db2.gz AMOFGGPFGZEYMP-GOSISDBHSA-N -1 3 348.393 3.727 20 10 EHCDHM CC[C@](NCc1cc(F)c(N(C)C)cc1F)(C(=O)[O-])c1ccccc1 ZINC001595299251 980425856 /nfs/dbraw/zinc/42/58/56/980425856.db2.gz NPOXVOTZTJNGMF-LJQANCHMSA-N -1 3 348.393 3.511 20 10 EHCDHM COc1cc(Cl)cc(C[NH2+][C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1[O-] ZINC001599420324 997582732 /nfs/dbraw/zinc/58/27/32/997582732.db2.gz FSLQWUNEJVSVTQ-INIZCTEOSA-N -1 3 349.814 3.587 20 10 EHCDHM [O-]c1cc(Cl)ccc1CN1CC(Oc2ccc(F)c(F)c2)C1 ZINC001140466681 1022476868 /nfs/dbraw/zinc/47/68/68/1022476868.db2.gz KWARFOYPQVHEFH-UHFFFAOYSA-N -1 3 325.742 3.587 20 10 EHCDHM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCc2c1cnn2C ZINC000093864050 1030684054 /nfs/dbraw/zinc/68/40/54/1030684054.db2.gz ZLNKXJMQPRFEGU-AWEZNQCLSA-N -1 3 340.254 3.942 20 10 EHCDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cc([O-])ccc1Cl ZINC000279292292 1043731301 /nfs/dbraw/zinc/73/13/01/1043731301.db2.gz YTSHQWXEPLYNLI-UHFFFAOYSA-N -1 3 330.815 3.576 20 10 EHCDHM O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001601658856 1126223901 /nfs/dbraw/zinc/22/39/01/1126223901.db2.gz DDFVNAUYCQZRDK-HXUWFJFHSA-N -1 3 347.414 3.845 20 10 EHCDHM COc1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncc1F ZINC001168522398 1122394742 /nfs/dbraw/zinc/39/47/42/1122394742.db2.gz QJWYOFLPDQJRRM-UHFFFAOYSA-N -1 3 333.750 3.749 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H](c2ccccn2)C2CC2)c1[O-] ZINC000922585783 1129584087 /nfs/dbraw/zinc/58/40/87/1129584087.db2.gz GTAKDABAUBFTAC-HNNXBMFYSA-N -1 3 333.775 3.590 20 10 EHCDHM COC(=O)CN(Cc1ccc(C)cc1)Cc1cc(Cl)ccc1[O-] ZINC000731844920 1130849037 /nfs/dbraw/zinc/84/90/37/1130849037.db2.gz KWLHEEKKEMGZQL-UHFFFAOYSA-N -1 3 333.815 3.529 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCc3c(F)cc(F)cc3C2)c1[O-] ZINC000766193311 1131160636 /nfs/dbraw/zinc/16/06/36/1131160636.db2.gz PTZOHWKPYHNDLK-UHFFFAOYSA-N -1 3 335.325 3.570 20 10 EHCDHM [O-]c1cc(F)c(F)cc1CN1CCN(C2CC2)c2cc(F)ccc21 ZINC001181023403 1133441635 /nfs/dbraw/zinc/44/16/35/1133441635.db2.gz USDXWEALYDGNBK-UHFFFAOYSA-N -1 3 334.341 3.799 20 10 EHCDHM Cc1ccc(C)c(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001184609815 1133965368 /nfs/dbraw/zinc/96/53/68/1133965368.db2.gz RFKGGWWEPWMTAU-UHFFFAOYSA-N -1 3 341.798 3.536 20 10 EHCDHM COc1c([O-])c(CN2CC[C@@H](C)C[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000774909413 1134116611 /nfs/dbraw/zinc/11/66/11/1134116611.db2.gz MSGKAZAFKGUFQB-DOMZBBRYSA-N -1 3 346.383 3.875 20 10 EHCDHM COc1c([O-])c(CNc2cccc(COC(C)C)c2)ccc1[N+](=O)[O-] ZINC000774928494 1134135310 /nfs/dbraw/zinc/13/53/10/1134135310.db2.gz SNPXIJQEJLQOOT-UHFFFAOYSA-N -1 3 346.383 3.846 20 10 EHCDHM CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc2[nH]ccc2c1 ZINC000775100195 1134308226 /nfs/dbraw/zinc/30/82/26/1134308226.db2.gz BUOWLUMROJYYMP-UHFFFAOYSA-N -1 3 341.367 3.817 20 10 EHCDHM [O-]c1ccc(Cl)cc1CN1CC[C@H](N2CCCCC2)C(F)(F)C1 ZINC001203665617 1134362792 /nfs/dbraw/zinc/36/27/92/1134362792.db2.gz PMQGSPKZNPTFKT-INIZCTEOSA-N -1 3 344.833 3.741 20 10 EHCDHM Cc1ccccc1-c1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790535684 1134433008 /nfs/dbraw/zinc/43/30/08/1134433008.db2.gz NGGFRCRGUIWNNR-UHFFFAOYSA-N -1 3 326.377 3.782 20 10 EHCDHM O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1cccc(O)c1[O-] ZINC000790918483 1134478090 /nfs/dbraw/zinc/47/80/90/1134478090.db2.gz KYDXRMGZVDVTTN-UHFFFAOYSA-N -1 3 348.349 3.619 20 10 EHCDHM COc1c(C)cnc(CN(C)Cc2c([O-])ccc(Cl)c2F)c1C ZINC000792173354 1134662490 /nfs/dbraw/zinc/66/24/90/1134662490.db2.gz BWAVWCQMSVALCO-UHFFFAOYSA-N -1 3 338.810 3.837 20 10 EHCDHM CC(C)OC(=O)C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792175200 1134663133 /nfs/dbraw/zinc/66/31/33/1134663133.db2.gz OWCMZPJOEUPPMS-GFCCVEGCSA-N -1 3 343.826 3.738 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC001198685316 1135847311 /nfs/dbraw/zinc/84/73/11/1135847311.db2.gz IVEITPHYZNVYJI-SJORKVTESA-N -1 3 337.847 3.782 20 10 EHCDHM COc1c([O-])c(CN2CC(C)(C)[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000809782758 1135890958 /nfs/dbraw/zinc/89/09/58/1135890958.db2.gz GJPIDRSXPKVTEJ-MRXNPFEDSA-N -1 3 348.424 3.954 20 10 EHCDHM O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc(O)c1[O-] ZINC000776649460 1136522691 /nfs/dbraw/zinc/52/26/91/1136522691.db2.gz HFMGWXCYFMYSJS-UHFFFAOYSA-N -1 3 332.787 3.604 20 10 EHCDHM [O-]c1cccc(CNCc2ccc(N3CCSCC3)cc2)c1Cl ZINC000815116027 1136551523 /nfs/dbraw/zinc/55/15/23/1136551523.db2.gz WWTKRLVHVKTOKW-UHFFFAOYSA-N -1 3 348.899 3.889 20 10 EHCDHM CC[C@H](N[C@@H](C)c1ncc(C(=O)OC)s1)c1ccc(F)cc1[O-] ZINC000818357024 1136875657 /nfs/dbraw/zinc/87/56/57/1136875657.db2.gz URFQYMBAJOUOEX-CABZTGNLSA-N -1 3 338.404 3.576 20 10 EHCDHM Cc1cc([O-])c(CN2CCc3nc(C(C)C)ncc3C2)cc1Cl ZINC000857878380 1136917190 /nfs/dbraw/zinc/91/71/90/1136917190.db2.gz ZNLLETWWUKPGBV-UHFFFAOYSA-N -1 3 331.847 3.826 20 10 EHCDHM COCc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1OC ZINC000858568152 1136979414 /nfs/dbraw/zinc/97/94/14/1136979414.db2.gz OHBZUADNMMYHBJ-GFCCVEGCSA-N -1 3 345.395 3.507 20 10 EHCDHM CCOC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])c1ccccc1 ZINC000825554935 1137015225 /nfs/dbraw/zinc/01/52/25/1137015225.db2.gz ASSBEWAPYNJXDL-QGZVFWFLSA-N -1 3 333.815 3.748 20 10 EHCDHM O=C(Nc1cc(-c2ccc(Cl)s2)on1)c1cccc(O)c1[O-] ZINC001148212153 1137419641 /nfs/dbraw/zinc/41/96/41/1137419641.db2.gz OQNOSLJUUIBMCL-UHFFFAOYSA-N -1 3 336.756 3.720 20 10 EHCDHM CC(C)(NC(=O)c1cccc(O)c1[O-])c1ccc(C(F)(F)F)cc1 ZINC001148219988 1137419915 /nfs/dbraw/zinc/41/99/15/1137419915.db2.gz JHAXOBHUCIJWGL-UHFFFAOYSA-N -1 3 339.313 3.782 20 10 EHCDHM Cc1ccc2c(c1)N[C@H](c1cc(C)cc(Br)c1[O-])NC2=O ZINC000877865314 1137694079 /nfs/dbraw/zinc/69/40/79/1137694079.db2.gz XVGJUFXLYWRDMC-HNNXBMFYSA-N -1 3 347.212 3.626 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000883193337 1137848059 /nfs/dbraw/zinc/84/80/59/1137848059.db2.gz UGPCOOOBSQJQNE-CQSZACIVSA-N -1 3 347.283 3.512 20 10 EHCDHM Cc1ccc(N[C@@H](C)c2c([O-])cccc2F)cc1N1CCNC1=O 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EHCDHM CN(Cc1cccs1)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001598531760 992790006 /nfs/dbraw/zinc/79/00/06/992790006.db2.gz LZJGRHCQQHTHAD-UHFFFAOYSA-N -1 3 332.400 3.709 20 10 EHCDHM COc1ccc(O)c([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599598500 993781313 /nfs/dbraw/zinc/78/13/13/993781313.db2.gz NZMQNZKLNUKDSU-MGPLVRAMSA-N -1 3 335.787 3.531 20 10 EHCDHM CC(=O)c1cc(F)cc(CN(C)Cc2nc3c(s2)CCCC3)c1[O-] ZINC000175788879 1016425460 /nfs/dbraw/zinc/42/54/60/1016425460.db2.gz ZRUIYIKBUNMZRP-UHFFFAOYSA-N -1 3 348.443 3.701 20 10 EHCDHM Cc1cc([O-])c(CN2CCn3cnc(C(F)(F)F)c3C2)c(Cl)c1 ZINC000895559870 1024612306 /nfs/dbraw/zinc/61/23/06/1024612306.db2.gz PRBDFPGHGLYEJE-UHFFFAOYSA-N -1 3 345.752 3.585 20 10 EHCDHM CC(C)(C)c1coc(CNCc2ccc(Br)cc2[O-])n1 ZINC000897942067 1033254864 /nfs/dbraw/zinc/25/48/64/1033254864.db2.gz KQQARLZWPSLRHL-UHFFFAOYSA-N -1 3 339.233 3.730 20 10 EHCDHM CC[C@H](N[C@H](C)c1ccc(F)cc1[O-])c1nnc2n1CCCCC2 ZINC000273617288 1027521130 /nfs/dbraw/zinc/52/11/30/1027521130.db2.gz XSNRKVRQXNJJNX-DOMZBBRYSA-N -1 3 332.423 3.651 20 10 EHCDHM COc1cc2c(cc1OC)CN(Cc1c([O-])cccc1Cl)CC2 ZINC000321990798 1029592779 /nfs/dbraw/zinc/59/27/79/1029592779.db2.gz DVNYWDCIMWTTPE-UHFFFAOYSA-N -1 3 333.815 3.621 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)c1[O-] ZINC000780386119 1035021671 /nfs/dbraw/zinc/02/16/71/1035021671.db2.gz UOPYQBAPFNMPGD-JOYOIKCWSA-N -1 3 333.325 3.897 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(n2cc(Cl)cn2)CC1 ZINC000373821757 1039060467 /nfs/dbraw/zinc/06/04/67/1039060467.db2.gz RLMUMJYXSRQMNP-UHFFFAOYSA-N -1 3 344.217 3.872 20 10 EHCDHM COc1ccc(N(CC(C)C)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000780918514 1039677869 /nfs/dbraw/zinc/67/78/69/1039677869.db2.gz VFBGTSIADXQYOI-UHFFFAOYSA-N -1 3 329.396 3.718 20 10 EHCDHM Cc1ncsc1CN(C)Cc1cc(Br)cc(F)c1[O-] ZINC000894002467 1039958052 /nfs/dbraw/zinc/95/80/52/1039958052.db2.gz PKACCAAFGNSXSG-UHFFFAOYSA-N -1 3 345.237 3.691 20 10 EHCDHM O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1cccc(O)c1[O-] ZINC000193151626 1040997541 /nfs/dbraw/zinc/99/75/41/1040997541.db2.gz OEADACRFAAODHY-GFCCVEGCSA-N -1 3 343.276 3.660 20 10 EHCDHM COc1cnc(NCc2c([O-])cccc2Cl)c(Br)c1 ZINC000806669345 1135478302 /nfs/dbraw/zinc/47/83/02/1135478302.db2.gz CVXADYKGJLRTQN-UHFFFAOYSA-N -1 3 343.608 3.824 20 10 EHCDHM COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c([O-])c1 ZINC000914505829 1120855917 /nfs/dbraw/zinc/85/59/17/1120855917.db2.gz AJBBNOXVOIAWJT-UHFFFAOYSA-N -1 3 342.439 3.518 20 10 EHCDHM COc1cccc(F)c1[C@H](C)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000179939602 1123900372 /nfs/dbraw/zinc/90/03/72/1123900372.db2.gz QCCXHCHQXQTXCM-JTQLQIEISA-N -1 3 335.350 3.732 20 10 EHCDHM COC(=O)CN(C/C=C/c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000734148641 1131203778 /nfs/dbraw/zinc/20/37/78/1131203778.db2.gz DWKSIWBIQRFKKD-VMPITWQZSA-N -1 3 345.826 3.734 20 10 EHCDHM CN(Cc1cnn(-c2ccccc2)c1)Cc1c([O-])cccc1Cl ZINC000768207787 1133107708 /nfs/dbraw/zinc/10/77/08/1133107708.db2.gz IVAQKCDEDRAKGG-UHFFFAOYSA-N -1 3 327.815 3.863 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H](n2ccnc2)C1 ZINC000769314310 1133260172 /nfs/dbraw/zinc/26/01/72/1133260172.db2.gz XIGYSWNIAVHICT-ZDUSSCGKSA-N -1 3 326.227 3.733 20 10 EHCDHM COC(=O)[C@@H](C)Cc1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001180654625 1133403414 /nfs/dbraw/zinc/40/34/14/1133403414.db2.gz LOVXPPUNFNXZIX-NSHDSACASA-N -1 3 335.350 3.634 20 10 EHCDHM C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1n1ccnc1 ZINC000770328207 1133412355 /nfs/dbraw/zinc/41/23/55/1133412355.db2.gz WAVDOPMCQFRZKL-XHDPSFHLSA-N -1 3 340.254 3.979 20 10 EHCDHM COc1ccccc1O[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001181622125 1133507063 /nfs/dbraw/zinc/50/70/63/1133507063.db2.gz PNFJKCKPPNXADK-CQSZACIVSA-N -1 3 349.377 3.722 20 10 EHCDHM [O-]c1cccc(F)c1CNCc1cccc(Br)c1F ZINC001183918919 1133879323 /nfs/dbraw/zinc/87/93/23/1133879323.db2.gz COUYXGKWLAZLGR-UHFFFAOYSA-N -1 3 328.156 3.723 20 10 EHCDHM Cc1ccc(C(=O)Nc2csc(-c3ccccc3)n2)c([O-])c1O ZINC000804825208 1135204737 /nfs/dbraw/zinc/20/47/37/1135204737.db2.gz XXTAYNVJRHLGFD-UHFFFAOYSA-N -1 3 326.377 3.782 20 10 EHCDHM Cc1nc(NC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)cc(=O)[n-]1 ZINC001195261091 1135400809 /nfs/dbraw/zinc/40/08/09/1135400809.db2.gz DRRSXDTYGLNBHK-GHVJWSGMSA-N -1 3 349.350 3.864 20 10 EHCDHM CC[C@H](NCc1ncnn1-c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806162969 1135405009 /nfs/dbraw/zinc/40/50/09/1135405009.db2.gz KGSNGWPIOHMCBZ-INIZCTEOSA-N -1 3 342.830 3.867 20 10 EHCDHM Cc1ccccc1-c1nc(CNCc2c([O-])cccc2Cl)no1 ZINC000776266358 1136121404 /nfs/dbraw/zinc/12/14/04/1136121404.db2.gz UPSAVEOSNGTPCY-UHFFFAOYSA-N -1 3 329.787 3.694 20 10 EHCDHM C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000855347834 1136689429 /nfs/dbraw/zinc/68/94/29/1136689429.db2.gz ASPQSBGAZAKHPG-LJQANCHMSA-N -1 3 345.826 3.989 20 10 EHCDHM COc1ccccc1CN(Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000748050624 1136689766 /nfs/dbraw/zinc/68/97/66/1136689766.db2.gz ICWUUWIUSGMSMA-UHFFFAOYSA-N -1 3 343.398 3.907 20 10 EHCDHM CC(C)(C)OC(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816502438 1136727560 /nfs/dbraw/zinc/72/75/60/1136727560.db2.gz AWCBFEIZLWOEPC-UHFFFAOYSA-N -1 3 343.826 3.738 20 10 EHCDHM C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817882046 1136843194 /nfs/dbraw/zinc/84/31/94/1136843194.db2.gz WKKAKBSGOXAXDF-KSSFIOAISA-N -1 3 325.408 3.602 20 10 EHCDHM C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000817882046 1136843197 /nfs/dbraw/zinc/84/31/97/1136843197.db2.gz WKKAKBSGOXAXDF-KSSFIOAISA-N -1 3 325.408 3.602 20 10 EHCDHM Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1Br ZINC001136147736 1136879831 /nfs/dbraw/zinc/87/98/31/1136879831.db2.gz PLWBJQUVHZLXCF-UHFFFAOYSA-N -1 3 336.185 3.729 20 10 EHCDHM O=C([N-]Cc1cc(Cl)ccc1O)C(F)(F)c1ccccc1F ZINC000857548837 1136882686 /nfs/dbraw/zinc/88/26/86/1136882686.db2.gz WSPYJKTVPLCPKY-UHFFFAOYSA-N -1 3 329.705 3.593 20 10 EHCDHM CCc1cnc(CN(C)Cc2ccc(Br)cc2[O-])s1 ZINC000824894195 1137156046 /nfs/dbraw/zinc/15/60/46/1137156046.db2.gz BYJFDGWTIBQMKK-UHFFFAOYSA-N -1 3 341.274 3.806 20 10 EHCDHM CCS(=O)(=O)Cc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000825316122 1137172555 /nfs/dbraw/zinc/17/25/55/1137172555.db2.gz KDBAEXHXQPUBRA-UHFFFAOYSA-N -1 3 339.844 3.592 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2nnc([C@H]3C[C@H]3C)o2)c1 ZINC000865294964 1137275172 /nfs/dbraw/zinc/27/51/72/1137275172.db2.gz VXOZVALRANMOFY-SCZZXKLOSA-N -1 3 338.205 3.582 20 10 EHCDHM Nc1ccc2c(c1)Cc1cc(NC(=O)c3cccc(O)c3[O-])ccc1-2 ZINC001148219410 1137419941 /nfs/dbraw/zinc/41/99/41/1137419941.db2.gz YIMLRWYQIIHPAP-UHFFFAOYSA-N -1 3 332.359 3.504 20 10 EHCDHM CC1(C)CN(Cc2ccc(Br)cc2[O-])[C@H]1[C@H]1CCCO1 ZINC000825943723 1137671849 /nfs/dbraw/zinc/67/18/49/1137671849.db2.gz JAIFXSHDWUAWGQ-CABCVRRESA-N -1 3 340.261 3.544 20 10 EHCDHM Cc1cc([O-])c(CN(C)Cc2csc(C(C)(C)O)n2)cc1Cl ZINC000826097232 1137741315 /nfs/dbraw/zinc/74/13/15/1137741315.db2.gz VLLRKQOEGRUWTC-UHFFFAOYSA-N -1 3 340.876 3.670 20 10 EHCDHM C[C@@H](NCc1cccnc1OCC(F)(F)F)c1c([O-])cccc1F ZINC000886501693 1138084864 /nfs/dbraw/zinc/08/48/64/1138084864.db2.gz USCRKJOQXJDSMO-SNVBAGLBSA-N -1 3 344.308 3.718 20 10 EHCDHM Cc1cc(N[C@H](C)c2c([O-])cccc2F)ccc1N1CCOCC1 ZINC000886587624 1138099995 /nfs/dbraw/zinc/09/99/95/1138099995.db2.gz BVDQMEACIYSYLP-CQSZACIVSA-N -1 3 330.403 3.849 20 10 EHCDHM [O-]c1ccc(Br)cc1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000092728321 1138231089 /nfs/dbraw/zinc/23/10/89/1138231089.db2.gz SKKCYNZTSSJEPV-ZDUSSCGKSA-N -1 3 336.233 3.605 20 10 EHCDHM COC[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1ccc(C)o1 ZINC000184697408 1140115897 /nfs/dbraw/zinc/11/58/97/1140115897.db2.gz ATSRPBQYEOMTLC-HNNXBMFYSA-N -1 3 337.803 3.627 20 10 EHCDHM COc1cc2c(cc1N[C@H](C)c1ccc(F)cc1[O-])NC(=O)CC2 ZINC000274447588 1141531555 /nfs/dbraw/zinc/53/15/55/1141531555.db2.gz YJOJBOKNHHZHQO-SNVBAGLBSA-N -1 3 330.359 3.598 20 10 EHCDHM Cc1ncsc1CN(C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000738892790 600427001 /nfs/dbraw/zinc/42/70/01/600427001.db2.gz QFTDUQYJDUHOHR-UHFFFAOYSA-N -1 3 342.420 3.641 20 10 EHCDHM CN(C)c1ccc(CN(Cc2ccsc2C(=O)[O-])C2CC2)cc1 ZINC000830635217 601547125 /nfs/dbraw/zinc/54/71/25/601547125.db2.gz KIURDTLQCUBNRS-UHFFFAOYSA-N -1 3 330.453 3.677 20 10 EHCDHM CCN(CC)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000756332198 978697733 /nfs/dbraw/zinc/69/77/33/978697733.db2.gz FRISBEOXSZGKDH-SFHVURJKSA-N -1 3 330.403 3.587 20 10 EHCDHM CN(C)c1ccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000846272693 979438487 /nfs/dbraw/zinc/43/84/87/979438487.db2.gz RNUOWJZMIADTSF-UHFFFAOYSA-N -1 3 348.393 3.508 20 10 EHCDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccc2c(c1)CCCO2 ZINC001593198969 994177178 /nfs/dbraw/zinc/17/71/78/994177178.db2.gz WGDVNQFXKVRUIZ-OLZOCXBDSA-N -1 3 341.407 3.827 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(F)cc(F)c2OC)c1 ZINC000757592615 1032787916 /nfs/dbraw/zinc/78/79/16/1032787916.db2.gz JEYXJJQYFGQOHH-SECBINFHSA-N -1 3 337.322 3.639 20 10 EHCDHM Cc1cc([O-])c(CN2CCn3c(cnc3C(F)(F)F)C2)c(Cl)c1 ZINC000896931320 1026082856 /nfs/dbraw/zinc/08/28/56/1026082856.db2.gz IRAPTGPFARHPAZ-UHFFFAOYSA-N -1 3 345.752 3.585 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cccc(C)n2)c1[O-] ZINC000160143618 1030557435 /nfs/dbraw/zinc/55/74/35/1030557435.db2.gz BQMZBCSXOFHRGR-SFHVURJKSA-N -1 3 328.387 3.774 20 10 EHCDHM Cc1c[nH]c2nc(NCc3cc(Cl)c4cccnc4c3[O-])ncc12 ZINC001168528581 1126922733 /nfs/dbraw/zinc/92/27/33/1126922733.db2.gz VLBDQAHZEAEZHO-UHFFFAOYSA-N -1 3 339.786 3.737 20 10 EHCDHM Cc1c(N[C@@H](C)c2ccc(F)cc2[O-])cccc1N1CCOC1=O ZINC000186479829 1128755848 /nfs/dbraw/zinc/75/58/48/1128755848.db2.gz QYVMDRYDUSTRQD-LBPRGKRZSA-N -1 3 330.359 3.969 20 10 EHCDHM CC(C)(C)C[C@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC001670548636 1120084608 /nfs/dbraw/zinc/08/46/08/1120084608.db2.gz QDQWSOHEWLPMDZ-LBPRGKRZSA-N -1 3 336.329 3.698 20 10 EHCDHM CC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cc(F)ccc1OC ZINC000922619424 1129602059 /nfs/dbraw/zinc/60/20/59/1129602059.db2.gz FHKVYVJUYNLCTQ-OAHLLOKOSA-N -1 3 334.347 3.689 20 10 EHCDHM CCN(CC(=O)Nc1cccc(OC)c1)Cc1c([O-])cccc1Cl ZINC000768174033 1133105785 /nfs/dbraw/zinc/10/57/85/1133105785.db2.gz XADBSUMCIZFSBV-UHFFFAOYSA-N -1 3 348.830 3.515 20 10 EHCDHM O=C(NCc1c([O-])cccc1F)c1ccc(SC(F)(F)F)o1 ZINC001178412652 1133167349 /nfs/dbraw/zinc/16/73/49/1133167349.db2.gz CSBARRVACNQMMJ-UHFFFAOYSA-N -1 3 335.278 3.666 20 10 EHCDHM Cc1cc(Br)c(C(=O)NCc2c([O-])cccc2F)s1 ZINC001178413020 1133167651 /nfs/dbraw/zinc/16/76/51/1133167651.db2.gz KUAVPYTZBYCOOX-UHFFFAOYSA-N -1 3 344.205 3.594 20 10 EHCDHM COC(=O)[C@H](C)Cc1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001180654624 1133403720 /nfs/dbraw/zinc/40/37/20/1133403720.db2.gz LOVXPPUNFNXZIX-LLVKDONJSA-N -1 3 335.350 3.634 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cnn(C3CCCC3)c2C)c1 ZINC000774443677 1133679337 /nfs/dbraw/zinc/67/93/37/1133679337.db2.gz MQWVDYAESVMXOK-GFCCVEGCSA-N -1 3 343.427 3.972 20 10 EHCDHM CC[C@@H]1c2ccsc2CCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774841810 1134051332 /nfs/dbraw/zinc/05/13/32/1134051332.db2.gz XSEIMCMVCAEIGO-CYBMUJFWSA-N -1 3 348.424 3.880 20 10 EHCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1C(C)C ZINC000788491157 1134132140 /nfs/dbraw/zinc/13/21/40/1134132140.db2.gz LHAYUOUSDJMPSM-UHFFFAOYSA-N -1 3 349.452 3.942 20 10 EHCDHM COc1c([O-])c(CNc2cccc(N(C)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000774934828 1134140691 /nfs/dbraw/zinc/14/06/91/1134140691.db2.gz ATBSHRPEGQHTOU-UHFFFAOYSA-N -1 3 345.399 3.766 20 10 EHCDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccc([S@](C)=O)cc1 ZINC000790982879 1134496515 /nfs/dbraw/zinc/49/65/15/1134496515.db2.gz LFVFKKIFBIEJDT-STFLBKPXSA-N -1 3 341.835 3.773 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000792166007 1134661183 /nfs/dbraw/zinc/66/11/83/1134661183.db2.gz NQOWAQCXIPUOSK-UHFFFAOYSA-N -1 3 331.778 3.660 20 10 EHCDHM COc1ccc(Cn2cc(N[C@@H](C)c3ccc(F)cc3[O-])cn2)cc1 ZINC000793563700 1134958179 /nfs/dbraw/zinc/95/81/79/1134958179.db2.gz HGMIRFYBZLBQRC-ZDUSSCGKSA-N -1 3 341.386 3.958 20 10 EHCDHM C[C@H](NCc1ccn(Cc2ccccc2)n1)c1cc(F)cc(F)c1[O-] ZINC000793574527 1134960719 /nfs/dbraw/zinc/96/07/19/1134960719.db2.gz ZMXRENWYXRXZJM-ZDUSSCGKSA-N -1 3 343.377 3.766 20 10 EHCDHM Cc1sccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001193385553 1135133594 /nfs/dbraw/zinc/13/35/94/1135133594.db2.gz RXEMRSPGLYVXLO-UHFFFAOYSA-N -1 3 332.812 3.894 20 10 EHCDHM O=C(NCc1ncccc1[O-])c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195277825 1135404367 /nfs/dbraw/zinc/40/43/67/1135404367.db2.gz BDNWLNWIRLVWQZ-GHVJWSGMSA-N -1 3 348.362 3.838 20 10 EHCDHM C[C@@H]1Oc2ccccc2[C@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000808443213 1135667450 /nfs/dbraw/zinc/66/74/50/1135667450.db2.gz BUSFHVWUEZPZFM-VFZGTOFNSA-N -1 3 334.759 3.566 20 10 EHCDHM CN(Cc1nc(-c2cccs2)no1)Cc1c([O-])cccc1Cl ZINC000809687819 1135871845 /nfs/dbraw/zinc/87/18/45/1135871845.db2.gz RIISNSAEKOYEPH-UHFFFAOYSA-N -1 3 335.816 3.789 20 10 EHCDHM CN(C)Cc1cnc(CNCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000809776013 1135881968 /nfs/dbraw/zinc/88/19/68/1135881968.db2.gz PNWKFDJURFLHDY-UHFFFAOYSA-N -1 3 346.283 3.507 20 10 EHCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000775990277 1135912983 /nfs/dbraw/zinc/91/29/83/1135912983.db2.gz PZUOWXAGZJMGPX-QGZVFWFLSA-N -1 3 339.769 3.897 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000810093616 1135920554 /nfs/dbraw/zinc/92/05/54/1135920554.db2.gz OIVLXIODCDVDDG-FUHWJXTLSA-N -1 3 349.858 3.782 20 10 EHCDHM Cc1cc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)ccc1O ZINC000776747835 1136624435 /nfs/dbraw/zinc/62/44/35/1136624435.db2.gz NLLHFFPGKOPLJU-UHFFFAOYSA-N -1 3 335.425 3.536 20 10 EHCDHM CCO[C@H](C)c1noc(CN(C)Cc2ccc3ccccc3c2[O-])n1 ZINC000816516732 1136730153 /nfs/dbraw/zinc/73/01/53/1136730153.db2.gz OKKBKVCTDVPOCA-CYBMUJFWSA-N -1 3 341.411 3.658 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2cnn3c2CCCC3)c1 ZINC000865709836 1137306006 /nfs/dbraw/zinc/30/60/06/1137306006.db2.gz WGOPWCCNRNCOPX-UHFFFAOYSA-N -1 3 336.233 3.608 20 10 EHCDHM O=c1occ2[nH]c(NCc3cc4ccccc4cc3[O-])c(Cl)cc1-2 ZINC001171402994 1137472070 /nfs/dbraw/zinc/47/20/70/1137472070.db2.gz WFHTWWXUEKOGSR-UHFFFAOYSA-N -1 3 340.766 3.876 20 10 EHCDHM Cc1nccnc1[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000872135635 1137573517 /nfs/dbraw/zinc/57/35/17/1137573517.db2.gz XNADQJLFWCOXBQ-ONGXEEELSA-N -1 3 325.334 3.921 20 10 EHCDHM CC(C)Oc1ccc(N(C)Cc2nnc(-c3ccccc3[O-])o2)cc1 ZINC000878512552 1137718504 /nfs/dbraw/zinc/71/85/04/1137718504.db2.gz PGZHJYGEYPUHJO-UHFFFAOYSA-N -1 3 339.395 3.866 20 10 EHCDHM CO[C@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000186291552 1140196908 /nfs/dbraw/zinc/19/69/08/1140196908.db2.gz GFFRHRZPISGVTB-VXGBXAGGSA-N -1 3 332.375 3.678 20 10 EHCDHM Cc1cc(N[C@H](C)c2ccc(F)cc2[O-])ccc1N1CCOCC1 ZINC000186527722 1140208391 /nfs/dbraw/zinc/20/83/91/1140208391.db2.gz FQKKMFULNURQQB-CQSZACIVSA-N -1 3 330.403 3.849 20 10 EHCDHM C[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830859844 602041996 /nfs/dbraw/zinc/04/19/96/602041996.db2.gz MHCPIRIGDUZJAJ-HNNXBMFYSA-N -1 3 340.206 3.957 20 10 EHCDHM C[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830859844 602042001 /nfs/dbraw/zinc/04/20/01/602042001.db2.gz MHCPIRIGDUZJAJ-HNNXBMFYSA-N -1 3 340.206 3.957 20 10 EHCDHM C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592490629 978281392 /nfs/dbraw/zinc/28/13/92/978281392.db2.gz FXKAXBFMPROXGI-KBPBESRZSA-N -1 3 328.412 3.547 20 10 EHCDHM C[C@H]([NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])c1ccccc1[O-] ZINC001599901852 984848897 /nfs/dbraw/zinc/84/88/97/984848897.db2.gz YZFPAOLRZUFACI-NSHDSACASA-N -1 3 342.370 3.572 20 10 EHCDHM C[C@H](NCc1cccc(OC(C)(C)C)n1)c1cc(C(=O)[O-])ccc1O ZINC001593305420 994763242 /nfs/dbraw/zinc/76/32/42/994763242.db2.gz ZHRAONOJVXXTNC-LBPRGKRZSA-N -1 3 344.411 3.514 20 10 EHCDHM CC[C@@H](C)c1nnc([C@@H](C)NCc2cc(Cl)cc(F)c2[O-])[nH]1 ZINC000754154829 1016735222 /nfs/dbraw/zinc/73/52/22/1016735222.db2.gz QYUARDPUCHBJGV-RKDXNWHRSA-N -1 3 326.803 3.667 20 10 EHCDHM CC[C@@H](C)c1nc([C@@H](C)NCc2cc(Cl)cc(F)c2[O-])n[nH]1 ZINC000754154829 1016735234 /nfs/dbraw/zinc/73/52/34/1016735234.db2.gz QYUARDPUCHBJGV-RKDXNWHRSA-N -1 3 326.803 3.667 20 10 EHCDHM COc1ccc(-n2ccc(CN[C@H](C)c3ccc(F)cc3[O-])n2)cc1 ZINC000185347869 1032381360 /nfs/dbraw/zinc/38/13/60/1032381360.db2.gz DPEOIQYERLKLSD-CYBMUJFWSA-N -1 3 341.386 3.576 20 10 EHCDHM CCc1[nH]nc(Cl)c1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000894515481 1022438352 /nfs/dbraw/zinc/43/83/52/1022438352.db2.gz VSJXMLXJHVJPTL-UHFFFAOYSA-N -1 3 334.634 3.928 20 10 EHCDHM [O-]c1c(Cl)cccc1CNCc1ccncc1OCC(F)(F)F ZINC000281388273 1024990109 /nfs/dbraw/zinc/99/01/09/1024990109.db2.gz WQCHELSDLZWXNM-UHFFFAOYSA-N -1 3 346.736 3.672 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(F)c(OC)cc2OC)c1 ZINC000273399351 1027412001 /nfs/dbraw/zinc/41/20/01/1027412001.db2.gz GBCDXMNSOZPXCF-JTQLQIEISA-N -1 3 349.358 3.508 20 10 EHCDHM C[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273529633 1027476062 /nfs/dbraw/zinc/47/60/62/1027476062.db2.gz WCJZAHAKOMZKNK-ZUZCIYMTSA-N -1 3 332.331 3.614 20 10 EHCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@@H](CF)C1 ZINC000711500866 1028709198 /nfs/dbraw/zinc/70/91/98/1028709198.db2.gz YMIOZTPEYCEHRH-VIFPVBQESA-N -1 3 336.632 3.990 20 10 EHCDHM COC[C@@H](NCc1cccc(Br)c1[O-])c1ccc(C)o1 ZINC000177567875 1035236218 /nfs/dbraw/zinc/23/62/18/1035236218.db2.gz CVJJWECWUHQWMR-CYBMUJFWSA-N -1 3 340.217 3.533 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccccc2NCC(F)(F)F)c([O-])c1O ZINC000177675644 1035310616 /nfs/dbraw/zinc/31/06/16/1035310616.db2.gz MXPXYFIOULSIAM-UHFFFAOYSA-N -1 3 340.301 3.633 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000893918189 1039823515 /nfs/dbraw/zinc/82/35/15/1039823515.db2.gz IEYNXJMYEHVQOU-GOSISDBHSA-N -1 3 333.378 3.616 20 10 EHCDHM Nc1cc(Cl)cc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168528311 1126909867 /nfs/dbraw/zinc/90/98/67/1126909867.db2.gz SRHGKCGRBKPHIF-UHFFFAOYSA-N -1 3 335.194 3.837 20 10 EHCDHM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000917716421 1122667860 /nfs/dbraw/zinc/66/78/60/1122667860.db2.gz YWASJXBEFAZSIN-UHFFFAOYSA-N -1 3 335.425 3.618 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCOC3(C2)CCCCCC3)c1[O-] ZINC000763445131 1123185630 /nfs/dbraw/zinc/18/56/30/1123185630.db2.gz QMJFYFNQFRQTRJ-UHFFFAOYSA-N -1 3 335.419 3.659 20 10 EHCDHM [O-]c1cccc(Cl)c1CNCc1nc(-c2ccncc2)cs1 ZINC000733331998 1131027462 /nfs/dbraw/zinc/02/74/62/1131027462.db2.gz VHVPOEUMKFWCHE-UHFFFAOYSA-N -1 3 331.828 3.854 20 10 EHCDHM O=C(/C=C\c1ccccc1C(F)(F)F)NCc1c([O-])cccc1F ZINC001178413165 1133167423 /nfs/dbraw/zinc/16/74/23/1133167423.db2.gz NVIZCRIVDBPVTK-HJWRWDBZSA-N -1 3 339.288 3.880 20 10 EHCDHM CC(C)[C@@H]1CN(Cc2cccc(Br)c2[O-])CCS1 ZINC000769549100 1133313315 /nfs/dbraw/zinc/31/33/15/1133313315.db2.gz KQBGRVDQWJJCIQ-ZDUSSCGKSA-N -1 3 330.291 3.728 20 10 EHCDHM COCc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC000774619492 1133795718 /nfs/dbraw/zinc/79/57/18/1133795718.db2.gz BNRNCFIEFARNCX-UHFFFAOYSA-N -1 3 349.452 3.771 20 10 EHCDHM C[C@H](NCc1csc(N(C)C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000788611667 1134151962 /nfs/dbraw/zinc/15/19/62/1134151962.db2.gz NXQSWKVSOAGURA-VIFPVBQESA-N -1 3 345.390 3.784 20 10 EHCDHM COc1c([O-])c(CN2CCCc3ccc(C)cc32)ccc1[N+](=O)[O-] ZINC000775055975 1134266469 /nfs/dbraw/zinc/26/64/69/1134266469.db2.gz IWTRAOOWAUNRHA-UHFFFAOYSA-N -1 3 328.368 3.570 20 10 EHCDHM [O-]c1ccc(Cl)cc1CN1CCN(Cc2ccccc2F)CC1 ZINC001203657135 1134318379 /nfs/dbraw/zinc/31/83/79/1134318379.db2.gz FWKXHKSHYZQISP-UHFFFAOYSA-N -1 3 334.822 3.503 20 10 EHCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1c(CC)cccc1CC ZINC000790415226 1134413586 /nfs/dbraw/zinc/41/35/86/1134413586.db2.gz BPDFHRVTNVWCGT-UHFFFAOYSA-N -1 3 333.453 3.880 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000790947317 1134483092 /nfs/dbraw/zinc/48/30/92/1134483092.db2.gz YNQQZHUPYTTZSJ-JQHSSLGASA-N -1 3 337.419 3.896 20 10 EHCDHM O=C(Nc1cccc(N2CCOCC2)c1)c1cc([O-])c2ccccc2c1 ZINC000792075712 1134647374 /nfs/dbraw/zinc/64/73/74/1134647374.db2.gz RDFAFVFTGBPBKB-UHFFFAOYSA-N -1 3 348.402 3.634 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN(CCO)[C@H]1CCc2ccccc21 ZINC000792167077 1134662175 /nfs/dbraw/zinc/66/21/75/1134662175.db2.gz YZWYJBWHWDUZLO-INIZCTEOSA-N -1 3 335.806 3.667 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518482 1136098294 /nfs/dbraw/zinc/09/82/94/1136098294.db2.gz LQBOLCROBGGWOA-HOCLYGCPSA-N -1 3 325.811 3.718 20 10 EHCDHM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000776347835 1136161086 /nfs/dbraw/zinc/16/10/86/1136161086.db2.gz HCRKQWLSXPQCOJ-SWLSCSKDSA-N -1 3 329.396 3.867 20 10 EHCDHM CC(C)[C@H](NCc1cc(Cl)c(F)cc1[O-])c1nc(C2CC2)no1 ZINC000816563426 1136737534 /nfs/dbraw/zinc/73/75/34/1136737534.db2.gz XNYRHENRZTUERM-AWEZNQCLSA-N -1 3 339.798 3.932 20 10 EHCDHM COC(=O)c1cnc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000818356702 1136875592 /nfs/dbraw/zinc/87/55/92/1136875592.db2.gz PVBFUAMMNGDZJK-IUCAKERBSA-N -1 3 340.832 3.701 20 10 EHCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@H](C(F)F)C1 ZINC001144306938 1137270668 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CC[C@H](C)c1nc([C@@H](C)NCc2cc(Cl)cc(F)c2[O-])n[nH]1 ZINC000754154827 1016735720 /nfs/dbraw/zinc/73/57/20/1016735720.db2.gz QYUARDPUCHBJGV-DTWKUNHWSA-N -1 3 326.803 3.667 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1cccc2c1OCO2 ZINC000040667018 1022005578 /nfs/dbraw/zinc/00/55/78/1022005578.db2.gz SECPYOVIUYFCNM-UHFFFAOYSA-N -1 3 326.179 3.718 20 10 EHCDHM C[C@]1(O)CCCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000894603558 1022598460 /nfs/dbraw/zinc/59/84/60/1022598460.db2.gz TVZGKRSTJOSEAX-AWEZNQCLSA-N -1 3 348.668 3.545 20 10 EHCDHM C[C@H](NCc1ncnn1C(C)(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000281917025 1025699007 /nfs/dbraw/zinc/69/90/07/1025699007.db2.gz AHKSBKXLXQPDRM-VIFPVBQESA-N -1 3 343.258 3.896 20 10 EHCDHM COc1ccc(Cl)cc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273555651 1027491827 /nfs/dbraw/zinc/49/18/27/1027491827.db2.gz GWTNBEYWKFJOGQ-JTQLQIEISA-N -1 3 336.775 3.813 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000093691248 1029337054 /nfs/dbraw/zinc/33/70/54/1029337054.db2.gz SFFUGHCXPZXHPI-AWEZNQCLSA-N -1 3 339.222 3.747 20 10 EHCDHM COc1c([O-])c(CNc2cccc(SC)c2C)ccc1[N+](=O)[O-] ZINC000278522516 1031219354 /nfs/dbraw/zinc/21/93/54/1031219354.db2.gz SKSOYRJHJJZJOB-UHFFFAOYSA-N -1 3 334.397 3.951 20 10 EHCDHM Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cc(F)ccc2[O-])o1 ZINC000179966130 1031825049 /nfs/dbraw/zinc/82/50/49/1031825049.db2.gz BYARBTTYXUAOMU-KRWDZBQOSA-N -1 3 339.370 3.522 20 10 EHCDHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(N=Nc2ccccc2)cc1 ZINC000588619760 1033548565 /nfs/dbraw/zinc/54/85/65/1033548565.db2.gz LPFLVKAZYGKVRJ-CYBMUJFWSA-N -1 3 333.413 3.879 20 10 EHCDHM Cc1cccnc1[C@H](NC(=O)NCc1c([O-])cccc1F)C(C)(C)C ZINC000898466599 1039095711 /nfs/dbraw/zinc/09/57/11/1039095711.db2.gz DCSRXBRRSFDZHX-KRWDZBQOSA-N -1 3 345.418 3.821 20 10 EHCDHM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cccc(O)c1[O-] ZINC000186993234 1129973549 /nfs/dbraw/zinc/97/35/49/1129973549.db2.gz PDJKWIDDIGPJLP-UHFFFAOYSA-N -1 3 349.390 3.550 20 10 EHCDHM Cc1ccc(C)n1-c1ccc(-c2noc(-c3cncc([O-])c3)n2)cc1 ZINC001212708433 1131983842 /nfs/dbraw/zinc/98/38/42/1131983842.db2.gz HUBRPELJINEMOJ-UHFFFAOYSA-N -1 3 332.363 3.912 20 10 EHCDHM Cc1nc(-c2ccsc2)ccc1C(=O)NCc1c([O-])cccc1F ZINC001178413194 1133167160 /nfs/dbraw/zinc/16/71/60/1133167160.db2.gz OBCUAPIGYMYWMT-UHFFFAOYSA-N -1 3 342.395 3.893 20 10 EHCDHM Cc1cccc(NC(=O)CN(C)Cc2ccc(Cl)cc2[O-])c1C ZINC001180086773 1133328378 /nfs/dbraw/zinc/32/83/78/1133328378.db2.gz NEPLOLXRTBORAG-UHFFFAOYSA-N -1 3 332.831 3.733 20 10 EHCDHM Cc1cc(CN2CC[C@H](C)C(F)(F)C2)c([O-])cc1Br ZINC001250120257 1133835877 /nfs/dbraw/zinc/83/58/77/1133835877.db2.gz AASZNGXGTUVTJR-JTQLQIEISA-N -1 3 334.204 3.940 20 10 EHCDHM CN(C)c1ccc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000786708349 1133888452 /nfs/dbraw/zinc/88/84/52/1133888452.db2.gz NBWFPHUTEDGFKG-UHFFFAOYSA-N -1 3 344.430 3.579 20 10 EHCDHM COc1c([O-])c(CNc2cccc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000774913641 1134114991 /nfs/dbraw/zinc/11/49/91/1134114991.db2.gz GPDQSXOTYANXJQ-UHFFFAOYSA-N -1 3 340.282 3.523 20 10 EHCDHM O=C(Nc1ccc2nc(C3CC3)sc2c1)c1cccc(O)c1[O-] ZINC000790597989 1134440040 /nfs/dbraw/zinc/44/00/40/1134440040.db2.gz IHPNSPZPAVDOJG-UHFFFAOYSA-N -1 3 326.377 3.837 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCc2cc(-c3ccccc3)ccc21 ZINC000790893575 1134476754 /nfs/dbraw/zinc/47/67/54/1134476754.db2.gz IPPJPNRMLYMLQR-UHFFFAOYSA-N -1 3 331.371 3.968 20 10 EHCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1CCc1ccccc1 ZINC000790911552 1134482257 /nfs/dbraw/zinc/48/22/57/1134482257.db2.gz RNIAOQDOMLHZJR-INIZCTEOSA-N -1 3 325.408 3.725 20 10 EHCDHM Cc1cccc([O-])c1C(=O)n1c(N)c(/N=N/c2ccccc2)ccc1=N ZINC001188638875 1134492080 /nfs/dbraw/zinc/49/20/80/1134492080.db2.gz RJUCHZANIPZFFS-OUFIHSCXSA-N -1 3 347.378 3.668 20 10 EHCDHM COc1ccc2c(c1)CN(Cc1ccc(Br)cc1[O-])C2 ZINC000691679443 1134570045 /nfs/dbraw/zinc/57/00/45/1134570045.db2.gz JFJUXIATKZCBDA-UHFFFAOYSA-N -1 3 334.213 3.679 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCOCc3ccccc32)c1[O-] ZINC000791576478 1134570425 /nfs/dbraw/zinc/57/04/25/1134570425.db2.gz 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ZINC000814178197 1136412187 /nfs/dbraw/zinc/41/21/87/1136412187.db2.gz GUEKZCWPBVPARQ-CYBMUJFWSA-N -1 3 330.255 3.948 20 10 EHCDHM CC(C)OCc1nc([C@H](C)NCc2ccc3ccccc3c2[O-])no1 ZINC000816616234 1136741770 /nfs/dbraw/zinc/74/17/70/1136741770.db2.gz RWQXWCDDMUNGMO-ZDUSSCGKSA-N -1 3 341.411 3.704 20 10 EHCDHM CCN(CC)c1ccc(CN(C)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000822268903 1137053731 /nfs/dbraw/zinc/05/37/31/1137053731.db2.gz JLHQNZGNWQMWEG-UHFFFAOYSA-N -1 3 344.430 3.579 20 10 EHCDHM O=C(Nc1ccc(C2(C(F)(F)F)CC2)cc1)c1cccc(O)c1[O-] ZINC001148213123 1137419644 /nfs/dbraw/zinc/41/96/44/1137419644.db2.gz WNOZVQKQOPOTPK-UHFFFAOYSA-N -1 3 337.297 3.944 20 10 EHCDHM CC(C)CCn1c2ccccc2nc1NC(=O)c1cccc(O)c1[O-] ZINC001148766127 1137434404 /nfs/dbraw/zinc/43/44/04/1137434404.db2.gz IICDSUIWWMBNGL-UHFFFAOYSA-N -1 3 339.395 3.746 20 10 EHCDHM Cc1ccc2c(c1)N[C@@H](c1cc(C)cc(Br)c1[O-])NC2=O ZINC000877865315 1137694073 /nfs/dbraw/zinc/69/40/73/1137694073.db2.gz XVGJUFXLYWRDMC-OAHLLOKOSA-N -1 3 347.212 3.626 20 10 EHCDHM COCc1ccc([C@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2[O-])o1 ZINC000130884655 1138482622 /nfs/dbraw/zinc/48/26/22/1138482622.db2.gz IZAKWHWVPYWCJX-QGZVFWFLSA-N -1 3 347.386 3.810 20 10 EHCDHM COc1cc(N[C@H](C)c2ccc(F)cc2[O-])ccc1N1CCCC1=O ZINC000186381714 1140200966 /nfs/dbraw/zinc/20/09/66/1140200966.db2.gz MKHCEBMKTUAGBL-GFCCVEGCSA-N -1 3 344.386 3.840 20 10 EHCDHM CCN(Cc1nccs1)Cc1cc(Br)ccc1[O-] ZINC000269677416 1141134448 /nfs/dbraw/zinc/13/44/48/1141134448.db2.gz CUBBGHYKFQEQJM-UHFFFAOYSA-N -1 3 327.247 3.633 20 10 EHCDHM CC(C)(C)c1cc(O)c([O-])c(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833450772 604868000 /nfs/dbraw/zinc/86/80/00/604868000.db2.gz ZVRCCHPKXKDGRY-CQSZACIVSA-N -1 3 349.471 3.718 20 10 EHCDHM CC(C)(C)c1cc(O)c([O-])c(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833450772 604868002 /nfs/dbraw/zinc/86/80/02/604868002.db2.gz ZVRCCHPKXKDGRY-CQSZACIVSA-N -1 3 349.471 3.718 20 10 EHCDHM CCCC[N@H+](Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1[O-] ZINC001595749261 982422843 /nfs/dbraw/zinc/42/28/43/982422843.db2.gz UWYRQCBBDDXDNV-ZHACJKMWSA-N -1 3 329.396 3.885 20 10 EHCDHM CCCC[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1[O-] ZINC001595749261 982422847 /nfs/dbraw/zinc/42/28/47/982422847.db2.gz UWYRQCBBDDXDNV-ZHACJKMWSA-N -1 3 329.396 3.885 20 10 EHCDHM CC(=O)c1cc(F)cc(CNC2(c3nc(C)cs3)CCC2)c1[O-] ZINC000275033886 1015799653 /nfs/dbraw/zinc/79/96/53/1015799653.db2.gz ATGIDQQXLSLSKK-UHFFFAOYSA-N -1 3 334.416 3.668 20 10 EHCDHM C[C@@H](N[C@@H]1COc2c1cccc2Cl)c1cc(C(=O)[O-])ccc1O ZINC001593230763 994365780 /nfs/dbraw/zinc/36/57/80/994365780.db2.gz FPFOQHZRWZPABW-YMTOWFKASA-N -1 3 333.771 3.528 20 10 EHCDHM C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234418 994402659 /nfs/dbraw/zinc/40/26/59/994402659.db2.gz ZPCWGPYDWWJVQK-ZUZCIYMTSA-N -1 3 331.799 3.562 20 10 EHCDHM COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(C)cc1C ZINC000280272312 1020242587 /nfs/dbraw/zinc/24/25/87/1020242587.db2.gz MSEMICAHEBKUAT-UHFFFAOYSA-N -1 3 332.356 3.547 20 10 EHCDHM CC[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1nnc2n1CCCCC2 ZINC000273617294 1027521257 /nfs/dbraw/zinc/52/12/57/1027521257.db2.gz XSNRKVRQXNJJNX-SWLSCSKDSA-N -1 3 332.423 3.651 20 10 EHCDHM CCc1nc([C@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cs1 ZINC000273622752 1027523666 /nfs/dbraw/zinc/52/36/66/1027523666.db2.gz ZOHLTKZAAZWTOK-QWRGUYRKSA-N -1 3 334.441 3.610 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2nnc(C3CCC3)o2)c1 ZINC000905428296 1038893158 /nfs/dbraw/zinc/89/31/58/1038893158.db2.gz KCISGDBTMGYBJY-UHFFFAOYSA-N -1 3 338.205 3.726 20 10 EHCDHM CCOC[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894026482 1039991086 /nfs/dbraw/zinc/99/10/86/1039991086.db2.gz LPLWWPMFAHRFTG-LLVKDONJSA-N -1 3 346.240 3.542 20 10 EHCDHM CCC(CC)(CNC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000923898539 1040088162 /nfs/dbraw/zinc/08/81/62/1040088162.db2.gz SKSCTLUZSNYVGG-UHFFFAOYSA-N -1 3 336.329 3.699 20 10 EHCDHM CC1(C)[C@@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])C[C@@H]21 ZINC001141373106 1042741809 /nfs/dbraw/zinc/74/18/09/1042741809.db2.gz NGXVGWHBADKQRN-PHIMTYICSA-N -1 3 330.653 3.896 20 10 EHCDHM Cn1cccc1[C@@H]1CCCN1Cc1cccc(Br)c1[O-] ZINC000179707544 1123828786 /nfs/dbraw/zinc/82/87/86/1123828786.db2.gz HXAOKFBDFUBTBX-HNNXBMFYSA-N -1 3 335.245 3.830 20 10 EHCDHM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cccc(O)c1[O-] ZINC000769056050 1133223628 /nfs/dbraw/zinc/22/36/28/1133223628.db2.gz YJCTYGQBUWKDEP-UHFFFAOYSA-N -1 3 349.390 3.550 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CNCc1cccc2c1OC(F)(F)O2 ZINC001179254191 1133239996 /nfs/dbraw/zinc/23/99/96/1133239996.db2.gz WXASPCZZKHLZMA-UHFFFAOYSA-N -1 3 345.704 3.796 20 10 EHCDHM C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC001179898389 1133294004 /nfs/dbraw/zinc/29/40/04/1133294004.db2.gz MRRQOADREOFEIV-CQSZACIVSA-N -1 3 348.849 3.891 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)c([O-])c1O ZINC000770466714 1133433928 /nfs/dbraw/zinc/43/39/28/1133433928.db2.gz WTNFNLHHJDFKIK-UHFFFAOYSA-N -1 3 325.336 3.973 20 10 EHCDHM CN(Cc1ccsc1)Cc1cc(Br)cc(F)c1[O-] ZINC001181390917 1133487165 /nfs/dbraw/zinc/48/71/65/1133487165.db2.gz NVOGOAXLUWIOMY-UHFFFAOYSA-N -1 3 330.222 3.987 20 10 EHCDHM CC1(C)CN(Cc2ccc(Cl)cc2[O-])C[C@@](C)(C(F)(F)F)O1 ZINC001182033227 1133564136 /nfs/dbraw/zinc/56/41/36/1133564136.db2.gz PFUAMERRSHLULK-AWEZNQCLSA-N -1 3 337.769 3.977 20 10 EHCDHM Cc1noc(C)c1NC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001185201353 1134049537 /nfs/dbraw/zinc/04/95/37/1134049537.db2.gz HFHSUWJFYSLXOV-UHFFFAOYSA-N -1 3 346.774 3.520 20 10 EHCDHM COc1c([O-])c(CN2C[C@H](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774911152 1134118572 /nfs/dbraw/zinc/11/85/72/1134118572.db2.gz VYUHFZJALAXBIG-LRDDRELGSA-N -1 3 328.368 3.502 20 10 EHCDHM CC[C@@H](C)n1ncc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1C ZINC000790742703 1134460672 /nfs/dbraw/zinc/46/06/72/1134460672.db2.gz OKWMZUFJGGPQEI-VXGBXAGGSA-N -1 3 331.416 3.828 20 10 EHCDHM CN(Cc1ccc2c(c1)OCCO2)Cc1c([O-])ccc(Cl)c1F ZINC000792156802 1134659095 /nfs/dbraw/zinc/65/90/95/1134659095.db2.gz NNHVUIBYWQUPEI-UHFFFAOYSA-N -1 3 337.778 3.588 20 10 EHCDHM COc1ccc(N(CCC(C)C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000794197780 1135026984 /nfs/dbraw/zinc/02/69/84/1135026984.db2.gz CHIHDRZGKCIUTF-UHFFFAOYSA-N -1 3 329.396 3.799 20 10 EHCDHM CCc1ccc([C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000804720983 1135178729 /nfs/dbraw/zinc/17/87/29/1135178729.db2.gz ZIXLCEDZSTUOIL-MRXNPFEDSA-N -1 3 325.408 3.680 20 10 EHCDHM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(O)c1[O-] ZINC000776326061 1136155235 /nfs/dbraw/zinc/15/52/35/1136155235.db2.gz WBNDRCRXLIUACG-UHFFFAOYSA-N -1 3 341.363 3.782 20 10 EHCDHM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000776347836 1136161684 /nfs/dbraw/zinc/16/16/84/1136161684.db2.gz HCRKQWLSXPQCOJ-WFASDCNBSA-N -1 3 329.396 3.867 20 10 EHCDHM C[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000850499463 1136272071 /nfs/dbraw/zinc/27/20/71/1136272071.db2.gz QDJWGDFFTZCXJE-UBJUHAIHSA-N -1 3 327.215 3.647 20 10 EHCDHM O=C(Nc1ccccc1SC(F)(F)F)c1cccc(O)c1[O-] ZINC000776644192 1136510325 /nfs/dbraw/zinc/51/03/25/1136510325.db2.gz KZRLBDYJOZRJPA-UHFFFAOYSA-N -1 3 329.299 3.962 20 10 EHCDHM COC(=O)c1ccc(CN(C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816491356 1136724107 /nfs/dbraw/zinc/72/41/07/1136724107.db2.gz JHNGFBQYPYATFV-UHFFFAOYSA-N -1 3 337.778 3.603 20 10 EHCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1CC1CCC1 ZINC000816667550 1136747098 /nfs/dbraw/zinc/74/70/98/1136747098.db2.gz POQZTBCOFHQOEF-HNNXBMFYSA-N -1 3 340.261 3.546 20 10 EHCDHM CCc1nc(CN(C)Cc2c([O-])cccc2Br)cs1 ZINC000862234380 1137133909 /nfs/dbraw/zinc/13/39/09/1137133909.db2.gz MSEHATLPSHKLTF-UHFFFAOYSA-N -1 3 341.274 3.806 20 10 EHCDHM Cc1cc([O-])c(CN(C)Cc2nccn2CC(F)(F)F)cc1Cl ZINC000824701781 1137149302 /nfs/dbraw/zinc/14/93/02/1137149302.db2.gz GQOMKRNAJANKNP-UHFFFAOYSA-N -1 3 347.768 3.745 20 10 EHCDHM COc1c([O-])c(CN2CC(c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000824988343 1137161484 /nfs/dbraw/zinc/16/14/84/1137161484.db2.gz KJOFIXVKLDFWSX-UHFFFAOYSA-N -1 3 348.786 3.562 20 10 EHCDHM CN(C)c1cc(F)c(CNCc2ccc([O-])c(Cl)c2)cc1F ZINC000873180154 1137592754 /nfs/dbraw/zinc/59/27/54/1137592754.db2.gz YIFUHWLPCJDWCV-UHFFFAOYSA-N -1 3 326.774 3.680 20 10 EHCDHM [O-]c1ccccc1C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCO1 ZINC000876531568 1137654788 /nfs/dbraw/zinc/65/47/88/1137654788.db2.gz JONONGWCGJCSNY-OAHLLOKOSA-N -1 3 349.377 3.557 20 10 EHCDHM [O-]c1ccccc1C[N@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCCO1 ZINC000876531568 1137654789 /nfs/dbraw/zinc/65/47/89/1137654789.db2.gz JONONGWCGJCSNY-OAHLLOKOSA-N -1 3 349.377 3.557 20 10 EHCDHM COc1cc2c(cc1CN[C@H](C)c1c([O-])cccc1F)O[C@H](C)C2 ZINC000886500320 1138084395 /nfs/dbraw/zinc/08/43/95/1138084395.db2.gz PEAZLYJQPUURRW-VXGBXAGGSA-N -1 3 331.387 3.714 20 10 EHCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000189425064 1140342817 /nfs/dbraw/zinc/34/28/17/1140342817.db2.gz BEQTUEJQGGRUBK-UHFFFAOYSA-N -1 3 335.425 3.543 20 10 EHCDHM CCOC1(C)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000298205385 521635570 /nfs/dbraw/zinc/63/55/70/521635570.db2.gz CWORSDAZBMJBKZ-UHFFFAOYSA-N -1 3 325.836 3.639 20 10 EHCDHM CO[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C[C@@H]1C ZINC000894902757 1022059817 /nfs/dbraw/zinc/05/98/17/1022059817.db2.gz LAGDUQLKZCKWPI-TVQRCGJNSA-N -1 3 348.668 3.665 20 10 EHCDHM CC(=O)c1cc(F)cc(CN[C@H](c2nccs2)C(F)(F)F)c1[O-] ZINC000292926745 1022668654 /nfs/dbraw/zinc/66/86/54/1022668654.db2.gz IQDRJVACOSCCNS-GFCCVEGCSA-N -1 3 348.321 3.584 20 10 EHCDHM CCN(Cc1ccncc1)Cc1cc(Br)cc(F)c1[O-] ZINC000894759915 1022842961 /nfs/dbraw/zinc/84/29/61/1022842961.db2.gz BULMLCBNVJQPNV-UHFFFAOYSA-N -1 3 339.208 3.711 20 10 EHCDHM Cc1ccc(N2CCOCC2)cc1N[C@@H](C)c1ccc(F)cc1[O-] ZINC000281173744 1024704481 /nfs/dbraw/zinc/70/44/81/1024704481.db2.gz QUSRUMGVXYWTKT-AWEZNQCLSA-N -1 3 330.403 3.849 20 10 EHCDHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(N=Nc2ccccc2)cc1 ZINC000588619761 1033548407 /nfs/dbraw/zinc/54/84/07/1033548407.db2.gz LPFLVKAZYGKVRJ-ZDUSSCGKSA-N -1 3 333.413 3.879 20 10 EHCDHM O=C(Nc1ccccc1)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893911204 1039818844 /nfs/dbraw/zinc/81/88/44/1039818844.db2.gz SCTARUGDDJDSJC-UHFFFAOYSA-N -1 3 346.377 3.521 20 10 EHCDHM Cc1nc(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)cs1 ZINC000192960749 1040950053 /nfs/dbraw/zinc/95/00/53/1040950053.db2.gz GASJHROACJJKBO-UHFFFAOYSA-N -1 3 326.377 3.782 20 10 EHCDHM Cc1nc(CN[C@H](C)c2ccc(F)cc2[O-])sc1Br ZINC000834855969 1135391906 /nfs/dbraw/zinc/39/19/06/1135391906.db2.gz JBTAIXBKPNRVDU-SSDOTTSWSA-N -1 3 345.237 3.910 20 10 EHCDHM Cc1ccc([N+](=O)[O-])c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168523546 1122760376 /nfs/dbraw/zinc/76/03/76/1122760376.db2.gz PFPOKBZECSDVCY-UHFFFAOYSA-N -1 3 344.758 3.818 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000179950916 1123905758 /nfs/dbraw/zinc/90/57/58/1123905758.db2.gz ZNMDENQMEWBZSL-JTQLQIEISA-N -1 3 338.167 3.929 20 10 EHCDHM CC(C)O[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715796068 1129488912 /nfs/dbraw/zinc/48/89/12/1129488912.db2.gz NYVFHKHROLGRRX-CYBMUJFWSA-N -1 3 346.240 3.683 20 10 EHCDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1OC(F)F ZINC001177161887 1133036597 /nfs/dbraw/zinc/03/65/97/1133036597.db2.gz FROBEKNCRJYZCO-SNVBAGLBSA-N -1 3 338.310 3.753 20 10 EHCDHM C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774118130 1133614939 /nfs/dbraw/zinc/61/49/39/1133614939.db2.gz VOBHLXKZZKPNHM-PSLIRLAXSA-N -1 3 339.222 3.576 20 10 EHCDHM [O-]c1cc(Cl)ccc1CN1CC(O)(c2cccc3ccccc32)C1 ZINC001182625029 1133707413 /nfs/dbraw/zinc/70/74/13/1133707413.db2.gz JTIKMVXPBSZKAB-UHFFFAOYSA-N -1 3 339.822 3.902 20 10 EHCDHM Cc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cc1N1CCNC1=O ZINC000786979522 1133935393 /nfs/dbraw/zinc/93/53/93/1133935393.db2.gz IBPXMCQFXKYFOC-LBPRGKRZSA-N -1 3 329.375 3.542 20 10 EHCDHM COc1c([O-])c(CNc2cccc(-c3ncco3)c2)ccc1[N+](=O)[O-] ZINC000774939800 1134138970 /nfs/dbraw/zinc/13/89/70/1134138970.db2.gz YVTBBYMAYPTCED-UHFFFAOYSA-N -1 3 341.323 3.576 20 10 EHCDHM O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cccc(O)c1[O-] ZINC000790481513 1134423980 /nfs/dbraw/zinc/42/39/80/1134423980.db2.gz CBPVUEVHLYJWRV-MRXNPFEDSA-N -1 3 343.379 3.818 20 10 EHCDHM O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccc(O)c1[O-] ZINC000790489180 1134425057 /nfs/dbraw/zinc/42/50/57/1134425057.db2.gz CIYJSPSFXHGVQX-UHFFFAOYSA-N -1 3 344.367 3.537 20 10 EHCDHM Cc1ccc([N-]S(=O)(=O)C2CCC2)c(C(=O)c2ccccc2)c1 ZINC001188139674 1134432322 /nfs/dbraw/zinc/43/23/22/1134432322.db2.gz WDJURCYBYAVRER-UHFFFAOYSA-N -1 3 329.421 3.520 20 10 EHCDHM CCCCn1cc(CNCc2c([O-])ccc(Cl)c2F)c(C)n1 ZINC000790982720 1134495593 /nfs/dbraw/zinc/49/55/93/1134495593.db2.gz XEDJMQZGXOHMNA-UHFFFAOYSA-N -1 3 325.815 3.780 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000775738101 1135600505 /nfs/dbraw/zinc/60/05/05/1135600505.db2.gz SCIJXYYVPFKQEH-ZFWWWQNUSA-N -1 3 339.794 3.866 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000810093613 1135920642 /nfs/dbraw/zinc/92/06/42/1135920642.db2.gz OIVLXIODCDVDDG-AEFFLSMTSA-N -1 3 349.858 3.782 20 10 EHCDHM CCOCc1nc([C@@H](C)N[C@H](CC)c2cc(Cl)ccc2[O-])no1 ZINC000810256465 1135949222 /nfs/dbraw/zinc/94/92/22/1135949222.db2.gz ZYAFHILKHLLEAP-ZWNOBZJWSA-N -1 3 339.823 3.767 20 10 EHCDHM [O-]c1ccc(Cl)c(F)c1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811518481 1136097751 /nfs/dbraw/zinc/09/77/51/1136097751.db2.gz LQBOLCROBGGWOA-GOEBONIOSA-N -1 3 325.811 3.718 20 10 EHCDHM COc1c([O-])c(CN2CCCSc3ccccc32)ccc1[N+](=O)[O-] ZINC000811507818 1136101438 /nfs/dbraw/zinc/10/14/38/1136101438.db2.gz PFRRIWYVJAKXHU-UHFFFAOYSA-N -1 3 346.408 3.811 20 10 EHCDHM O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1cccc(O)c1[O-] ZINC000776332392 1136156820 /nfs/dbraw/zinc/15/68/20/1136156820.db2.gz DHRHQCRSOLKIBB-UHFFFAOYSA-N -1 3 348.330 3.752 20 10 EHCDHM COCc1nc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])cs1 ZINC000815628101 1136621217 /nfs/dbraw/zinc/62/12/17/1136621217.db2.gz RJTMSNDFEIFYCO-VIFPVBQESA-N -1 3 346.374 3.865 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000816515242 1136729364 /nfs/dbraw/zinc/72/93/64/1136729364.db2.gz TZKRWZKQPKSDEC-UHFFFAOYSA-N -1 3 331.778 3.660 20 10 EHCDHM CO[C@@]1(C(F)(F)F)CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816585796 1136734941 /nfs/dbraw/zinc/73/49/41/1136734941.db2.gz SBSAEOCWPSCNOJ-ZDUSSCGKSA-N -1 3 341.732 3.728 20 10 EHCDHM Cc1ccnc(C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)n1 ZINC000816568718 1136738184 /nfs/dbraw/zinc/73/81/84/1136738184.db2.gz ONSXKUHNDKOAMI-UHFFFAOYSA-N -1 3 335.810 3.663 20 10 EHCDHM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000817880746 1136843579 /nfs/dbraw/zinc/84/35/79/1136843579.db2.gz GCNRIRHJDGPMNU-RHSMWYFYSA-N -1 3 325.408 3.744 20 10 EHCDHM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000817880746 1136843583 /nfs/dbraw/zinc/84/35/83/1136843583.db2.gz GCNRIRHJDGPMNU-RHSMWYFYSA-N -1 3 325.408 3.744 20 10 EHCDHM Cc1cc([C@H]2CCCN2Cc2c([O-])cccc2Br)on1 ZINC000862227696 1137133395 /nfs/dbraw/zinc/13/33/95/1137133395.db2.gz GJDZPUPIVIVTGY-CYBMUJFWSA-N -1 3 337.217 3.788 20 10 EHCDHM [O-]c1cc(Br)ccc1CN1CCC[C@@H]1c1ccccn1 ZINC000824566074 1137143165 /nfs/dbraw/zinc/14/31/65/1137143165.db2.gz FBEXXWWDPINYJK-OAHLLOKOSA-N -1 3 333.229 3.887 20 10 EHCDHM C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000863740609 1137201836 /nfs/dbraw/zinc/20/18/36/1137201836.db2.gz YOHFIAGCYLKZRH-KSSFIOAISA-N -1 3 325.408 3.602 20 10 EHCDHM C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000863740609 1137201838 /nfs/dbraw/zinc/20/18/38/1137201838.db2.gz YOHFIAGCYLKZRH-KSSFIOAISA-N -1 3 325.408 3.602 20 10 EHCDHM CC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cccc(OC)c1OC ZINC000865758363 1137308956 /nfs/dbraw/zinc/30/89/56/1137308956.db2.gz FDYVOGFZMQPZAE-HNNXBMFYSA-N -1 3 346.383 3.559 20 10 EHCDHM C[C@@H](O)[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccc1F ZINC000846015657 1137326100 /nfs/dbraw/zinc/32/61/00/1137326100.db2.gz ZDDAFBYDQAOXNI-JDNHERCYSA-N -1 3 327.758 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3.628 20 10 EHCDHM CC(C)(C)c1ncc2c(n1)CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000529639163 1034326313 /nfs/dbraw/zinc/32/63/13/1034326313.db2.gz DGNHFVSKBIEAQC-UHFFFAOYSA-N -1 3 331.847 3.691 20 10 EHCDHM Cc1nc(-c2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2)oc1C ZINC000177674767 1035318050 /nfs/dbraw/zinc/31/80/50/1035318050.db2.gz UZRMIFPSAQJUQI-UHFFFAOYSA-N -1 3 338.363 3.930 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN(C)Cc2cccc(N(C)C)c2)c1[O-] ZINC000760865963 1037537693 /nfs/dbraw/zinc/53/76/93/1037537693.db2.gz DZPJUTADKJGEHX-UHFFFAOYSA-N -1 3 346.858 3.946 20 10 EHCDHM Cc1ccc(C(=O)N2CCc3c2cccc3C(F)(F)F)c([O-])c1O ZINC000185044961 1126743147 /nfs/dbraw/zinc/74/31/47/1126743147.db2.gz XABIXIXHYLFJHF-UHFFFAOYSA-N -1 3 337.297 3.628 20 10 EHCDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1c1ccccc1 ZINC000185783322 1127010924 /nfs/dbraw/zinc/01/09/24/1127010924.db2.gz PFHSBICPLYAJBF-GDBMZVCRSA-N -1 3 325.408 3.754 20 10 EHCDHM C[C@@H](c1ccsc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000765714293 1127731944 /nfs/dbraw/zinc/73/19/44/1127731944.db2.gz UKQCCERUAQMNDZ-ZDUSSCGKSA-N -1 3 336.888 3.986 20 10 EHCDHM CCCc1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncn1 ZINC001168521989 1122374079 /nfs/dbraw/zinc/37/40/79/1122374079.db2.gz MXFMUTJJMHBWGG-UHFFFAOYSA-N -1 3 328.803 3.948 20 10 EHCDHM CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000769502883 1133303422 /nfs/dbraw/zinc/30/34/22/1133303422.db2.gz DPLJGNPYAMIIRX-SNVBAGLBSA-N -1 3 346.254 3.863 20 10 EHCDHM COc1c([O-])c(CN2CCc3cccc(F)c3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774887366 1134101606 /nfs/dbraw/zinc/10/16/06/1134101606.db2.gz ZFPFWXVNQTWQLW-NSHDSACASA-N -1 3 346.358 3.567 20 10 EHCDHM COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1Cl ZINC000774916205 1134123713 /nfs/dbraw/zinc/12/37/13/1134123713.db2.gz QLEFPVKKJASKSY-UHFFFAOYSA-N -1 3 338.747 3.583 20 10 EHCDHM [O-]c1ccc(Br)cc1CN1CCCC(F)(F)[C@H](F)C1 ZINC001203635539 1134185978 /nfs/dbraw/zinc/18/59/78/1134185978.db2.gz ABFNBGRAQYLILP-GFCCVEGCSA-N -1 3 338.167 3.724 20 10 EHCDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(N(C)C)c(F)c2)CC)n1 ZINC000789829231 1134337148 /nfs/dbraw/zinc/33/71/48/1134337148.db2.gz ISKRVJXDGJLRTG-GXDHUFHOSA-N -1 3 329.419 3.878 20 10 EHCDHM CC[C@@H](C)n1ncc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1C ZINC000790742694 1134460849 /nfs/dbraw/zinc/46/08/49/1134460849.db2.gz OKWMZUFJGGPQEI-NEPJUHHUSA-N -1 3 331.416 3.828 20 10 EHCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])Oc1ccccc1 ZINC001194262074 1135251700 /nfs/dbraw/zinc/25/17/00/1135251700.db2.gz UWIYMYWTNBVYKJ-UHFFFAOYSA-N -1 3 328.755 3.882 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2ccc3c(c2)C(=O)OC3)c1 ZINC000809788468 1135891746 /nfs/dbraw/zinc/89/17/46/1135891746.db2.gz LRYSKSXZNGQTKD-UHFFFAOYSA-N -1 3 348.196 3.746 20 10 EHCDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1cc([O-])ccc1Cl ZINC000810246132 1135947600 /nfs/dbraw/zinc/94/76/00/1135947600.db2.gz NAYTWXULBQCEQS-UHFFFAOYSA-N -1 3 344.842 3.966 20 10 EHCDHM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000776341795 1136160403 /nfs/dbraw/zinc/16/04/03/1136160403.db2.gz ZDGSWJQVSSDCMN-CQSZACIVSA-N -1 3 343.423 3.636 20 10 EHCDHM CC[C@H](CC(F)F)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000851841665 1136413530 /nfs/dbraw/zinc/41/35/30/1136413530.db2.gz WIIHOOWWYXSFQH-LLVKDONJSA-N -1 3 349.805 3.702 20 10 EHCDHM C[C@H](NCc1ncccc1N(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815627417 1136620818 /nfs/dbraw/zinc/62/08/18/1136620818.db2.gz ACVZGFPSBAKAAA-NSHDSACASA-N -1 3 339.361 3.723 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CC(Cc2ccsc2)C1 ZINC000857068182 1136840745 /nfs/dbraw/zinc/84/07/45/1136840745.db2.gz LSROEFGIWBCEER-UHFFFAOYSA-N -1 3 338.270 3.891 20 10 EHCDHM CC[C@@H](N[C@@H](C)c1ncc(C(=O)OC)s1)c1ccc(F)cc1[O-] ZINC000818357026 1136875780 /nfs/dbraw/zinc/87/57/80/1136875780.db2.gz URFQYMBAJOUOEX-JOYOIKCWSA-N -1 3 338.404 3.576 20 10 EHCDHM Cc1ccc(O[C@@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])C2)nc1 ZINC000858012033 1136930439 /nfs/dbraw/zinc/93/04/39/1136930439.db2.gz BNZDJSDOCXTRGD-CYBMUJFWSA-N -1 3 336.794 3.541 20 10 EHCDHM Cc1cc(Br)c([O-])c(CNc2nnc([C@@H]3C[C@H]3C)o2)c1 ZINC000865294962 1137275267 /nfs/dbraw/zinc/27/52/67/1137275267.db2.gz VXOZVALRANMOFY-PSASIEDQSA-N -1 3 338.205 3.582 20 10 EHCDHM C[C@@H](NCc1cccnc1F)c1cc(Br)cc(F)c1[O-] ZINC000794837587 1137275973 /nfs/dbraw/zinc/27/59/73/1137275973.db2.gz UWHDBJTVPDDHPF-MRVPVSSYSA-N -1 3 343.171 3.679 20 10 EHCDHM O=c1cc(NCc2cc(Br)ccc2[O-])ccn1C1CCC1 ZINC001171176580 1137286567 /nfs/dbraw/zinc/28/65/67/1137286567.db2.gz RRACCQYGCRVVCS-UHFFFAOYSA-N -1 3 349.228 3.654 20 10 EHCDHM O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)c1cccc(O)c1[O-] ZINC001148212143 1137419674 /nfs/dbraw/zinc/41/96/74/1137419674.db2.gz ODMDEBGVQMKECT-UHFFFAOYSA-N -1 3 349.390 3.803 20 10 EHCDHM CC(C)(C)Sc1ccccc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586069 1137429077 /nfs/dbraw/zinc/42/90/77/1137429077.db2.gz HEPGNSRBLNGADS-UHFFFAOYSA-N -1 3 333.409 3.946 20 10 EHCDHM CCOc1ccc(N(CC2CC2)C(=O)c2cccc(O)c2[O-])cc1 ZINC000869718983 1137463883 /nfs/dbraw/zinc/46/38/83/1137463883.db2.gz IADVPSKYTCPWSR-UHFFFAOYSA-N -1 3 327.380 3.553 20 10 EHCDHM Cc1ccc(CNCc2cc(Br)cc(F)c2[O-])nc1C ZINC000715767024 1137478038 /nfs/dbraw/zinc/47/80/38/1137478038.db2.gz ZPIJAGVLPYOELO-UHFFFAOYSA-N -1 3 339.208 3.595 20 10 EHCDHM CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Br)cc1[O-] ZINC000877846787 1137693120 /nfs/dbraw/zinc/69/31/20/1137693120.db2.gz HHUJLHLNPYVGMI-HNNXBMFYSA-N -1 3 347.212 3.741 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000882939317 1137839016 /nfs/dbraw/zinc/83/90/16/1137839016.db2.gz WABZCPKUKYDBKL-IRXDYDNUSA-N -1 3 337.341 3.819 20 10 EHCDHM COc1ccc(OC(F)F)c(CNCc2cc(F)cc(F)c2[O-])c1 ZINC000883037534 1137842436 /nfs/dbraw/zinc/84/24/36/1137842436.db2.gz BKVWDVHNGYESLM-UHFFFAOYSA-N -1 3 345.292 3.570 20 10 EHCDHM Cc1cc(N[C@@H](C)c2c([O-])cccc2F)ccc1N1CCOCC1 ZINC000886587623 1138100132 /nfs/dbraw/zinc/10/01/32/1138100132.db2.gz BVDQMEACIYSYLP-AWEZNQCLSA-N -1 3 330.403 3.849 20 10 EHCDHM C[C@@H](N[C@@H](CO)c1cccc(C(F)(F)F)c1)c1c([O-])cccc1F ZINC000886644845 1138105750 /nfs/dbraw/zinc/10/57/50/1138105750.db2.gz LXPCUEAMNWKEGO-YGRLFVJLSA-N -1 3 343.320 3.934 20 10 EHCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cscc2Cl)c1 ZINC000886656598 1138108813 /nfs/dbraw/zinc/10/88/13/1138108813.db2.gz LJUSJTQUSGCNLW-SECBINFHSA-N -1 3 325.817 3.745 20 10 EHCDHM CCN(Cc1nc(C)c(C)o1)Cc1cc(Br)ccc1[O-] ZINC000076118498 1138130163 /nfs/dbraw/zinc/13/01/63/1138130163.db2.gz SBARKEGCZYOVML-UHFFFAOYSA-N -1 3 339.233 3.782 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCSC2(CCOCC2)C1 ZINC000186488684 1140206771 /nfs/dbraw/zinc/20/67/71/1140206771.db2.gz GRSIJMSOPJUSSU-UHFFFAOYSA-N -1 3 348.295 3.797 20 10 EHCDHM O=C([O-])C1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000739563848 600008175 /nfs/dbraw/zinc/00/81/75/600008175.db2.gz UNYMPPBXPFOOEZ-UHFFFAOYSA-N -1 3 325.408 3.792 20 10 EHCDHM CCN(CC)c1ccc(CN(C)Cc2ccsc2C(=O)[O-])cc1 ZINC001596289813 983710136 /nfs/dbraw/zinc/71/01/36/983710136.db2.gz PFRBRXOSFOSLTM-UHFFFAOYSA-N -1 3 332.469 3.925 20 10 EHCDHM CCn1cnnc1-c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000120328762 1014989162 /nfs/dbraw/zinc/98/91/62/1014989162.db2.gz XBIFXIWXAARXKF-UHFFFAOYSA-N -1 3 328.803 3.936 20 10 EHCDHM C[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598530658 992776098 /nfs/dbraw/zinc/77/60/98/992776098.db2.gz QBASCOSAVFVGQM-HNNXBMFYSA-N -1 3 339.313 3.669 20 10 EHCDHM C[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598530658 992776105 /nfs/dbraw/zinc/77/61/05/992776105.db2.gz QBASCOSAVFVGQM-HNNXBMFYSA-N -1 3 339.313 3.669 20 10 EHCDHM C[C@H](NCc1cc(C2CC2)ccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593291857 994671740 /nfs/dbraw/zinc/67/17/40/994671740.db2.gz DHVGNBMRUSSEKG-NSHDSACASA-N -1 3 329.371 3.958 20 10 EHCDHM Cc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c([O-])c1 ZINC000302764365 1027277470 /nfs/dbraw/zinc/27/74/70/1027277470.db2.gz NXJHWEWOXWCGOT-UHFFFAOYSA-N -1 3 338.451 3.963 20 10 EHCDHM Cc1cc([O-])c(CN2CCc3nc(C4CC4)ncc3C2)c(Cl)c1 ZINC000529669882 1034396328 /nfs/dbraw/zinc/39/63/28/1034396328.db2.gz WCCOGXDJGXWEDN-UHFFFAOYSA-N -1 3 329.831 3.580 20 10 EHCDHM [O-]c1ccc(Cl)cc1CNCc1ncc(Br)s1 ZINC000714950585 1036101720 /nfs/dbraw/zinc/10/17/20/1036101720.db2.gz JCYNVRUPUCSNJH-UHFFFAOYSA-N -1 3 333.638 3.554 20 10 EHCDHM O=C(c1ccccc1)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893917335 1039826251 /nfs/dbraw/zinc/82/62/51/1039826251.db2.gz UPHULWHDFDWLAE-UHFFFAOYSA-N -1 3 331.362 3.765 20 10 EHCDHM [O-]c1c(CNc2ccc3c(n2)COC3)cc(Cl)c2cccnc12 ZINC001168521973 1122366610 /nfs/dbraw/zinc/36/66/10/1122366610.db2.gz MNFLFNBIKAUOBG-UHFFFAOYSA-N -1 3 327.771 3.631 20 10 EHCDHM Cc1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)c([O-])c1O ZINC000179513738 1123789444 /nfs/dbraw/zinc/78/94/44/1123789444.db2.gz AWXNPECMDFFYFE-UHFFFAOYSA-N -1 3 331.343 3.586 20 10 EHCDHM Nc1ccc(N(c2ccccc2)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175430703 1132666783 /nfs/dbraw/zinc/66/67/83/1132666783.db2.gz VBOHQXWDYIMCLL-UHFFFAOYSA-N -1 3 328.379 3.919 20 10 EHCDHM CCN(Cc1ccoc1)Cc1cc(Br)cc(F)c1[O-] ZINC001179869269 1133296936 /nfs/dbraw/zinc/29/69/36/1133296936.db2.gz QJBMKMLMMBNBOF-UHFFFAOYSA-N -1 3 328.181 3.909 20 10 EHCDHM [O-]c1ccc2ccncc2c1CN1CCSC[C@@H]1c1nccs1 ZINC000769799449 1133348088 /nfs/dbraw/zinc/34/80/88/1133348088.db2.gz WRGWODOCGNPCAN-OAHLLOKOSA-N -1 3 343.477 3.687 20 10 EHCDHM [O-]c1cccc(Br)c1CNCc1nc2ccccc2o1 ZINC001183910523 1133877059 /nfs/dbraw/zinc/87/70/59/1133877059.db2.gz YZSDVUSTVWSDPC-UHFFFAOYSA-N -1 3 333.185 3.586 20 10 EHCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@H](N2CCCCC2)C(F)(F)C1 ZINC001203665618 1134363143 /nfs/dbraw/zinc/36/31/43/1134363143.db2.gz PMQGSPKZNPTFKT-MRXNPFEDSA-N -1 3 344.833 3.741 20 10 EHCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000790416125 1134413626 /nfs/dbraw/zinc/41/36/26/1134413626.db2.gz RIHXKMTTYODGAC-UHFFFAOYSA-N -1 3 349.452 3.790 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCS[C@@H](C(C)C)C2)c1[O-] ZINC001191224722 1134830689 /nfs/dbraw/zinc/83/06/89/1134830689.db2.gz WOHCUDWXMFMAOG-OAHLLOKOSA-N -1 3 327.877 3.822 20 10 EHCDHM CCNC(=O)N(C)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000793317366 1134902699 /nfs/dbraw/zinc/90/26/99/1134902699.db2.gz KRSIJQGXUWZARX-UHFFFAOYSA-N -1 3 333.819 3.823 20 10 EHCDHM CC[C@@H](N[C@H](CO)c1ccccc1OC)c1cccc(Cl)c1[O-] ZINC000806145376 1135400555 /nfs/dbraw/zinc/40/05/55/1135400555.db2.gz BADDUMYFIOPKTR-HZPDHXFCSA-N -1 3 335.831 3.829 20 10 EHCDHM [O-]c1cc2c(cc1CN1CCOCC(F)(F)C1)oc1ccccc12 ZINC000808234362 1135639196 /nfs/dbraw/zinc/63/91/96/1135639196.db2.gz GLSARGLKXKHENG-UHFFFAOYSA-N -1 3 333.334 3.759 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCOCC3(CCCC3)C2)c1[O-] ZINC000775847273 1135812158 /nfs/dbraw/zinc/81/21/58/1135812158.db2.gz AEPVMDHUMHTYEB-UHFFFAOYSA-N -1 3 337.847 3.641 20 10 EHCDHM [O-]c1c(Br)cccc1CN(Cc1ccccn1)C1CC1 ZINC000809764271 1135888933 /nfs/dbraw/zinc/88/89/33/1135888933.db2.gz VXBVZKGJLVMMET-UHFFFAOYSA-N -1 3 333.229 3.714 20 10 EHCDHM Cc1cnn(-c2ccncc2NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000776253983 1136102390 /nfs/dbraw/zinc/10/23/90/1136102390.db2.gz QKFAMCWPDKZITB-UHFFFAOYSA-N -1 3 332.766 3.686 20 10 EHCDHM C[C@@H]1CN(Cc2ccc3ccccc3c2[O-])C[C@H](C(F)(F)F)O1 ZINC000816515791 1136730253 /nfs/dbraw/zinc/73/02/53/1136730253.db2.gz KZDSWEDSASHTOF-IAQYHMDHSA-N -1 3 325.330 3.697 20 10 EHCDHM Cc1cnc(C(C)(C)NCc2c([O-])cccc2Br)s1 ZINC000858148731 1136943997 /nfs/dbraw/zinc/94/39/97/1136943997.db2.gz JFFPBMFWNVOMGW-UHFFFAOYSA-N -1 3 341.274 3.945 20 10 EHCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@@H](C)C1(F)F ZINC000862442270 1137145064 /nfs/dbraw/zinc/14/50/64/1137145064.db2.gz HISZSEPWPFLSES-NXEZZACHSA-N -1 3 334.204 3.878 20 10 EHCDHM [O-]c1cc(Br)ccc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000824649568 1137145988 /nfs/dbraw/zinc/14/59/88/1137145988.db2.gz FLMNWMIQFNULKT-CYBMUJFWSA-N -1 3 336.233 3.605 20 10 EHCDHM CCN(Cc1ccncc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298436 1137268431 /nfs/dbraw/zinc/26/84/31/1137268431.db2.gz DKKBMTYETZOOEE-UHFFFAOYSA-N -1 3 339.208 3.711 20 10 EHCDHM C[C@H]1CC(C)(C)c2cccc(NC(=O)c3cc(O)c([O-])c(O)c3)c21 ZINC001148585884 1137428926 /nfs/dbraw/zinc/42/89/26/1137428926.db2.gz CJBWLCWBOSORKU-JTQLQIEISA-N -1 3 327.380 3.841 20 10 EHCDHM C[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1c([O-])cccc1F ZINC000886505011 1138085188 /nfs/dbraw/zinc/08/51/88/1138085188.db2.gz DVYULMFJNVMSGI-WMLDXEAASA-N -1 3 342.414 3.546 20 10 EHCDHM Cc1c(N[C@@H](C)c2c([O-])cccc2F)cccc1N1CCNC1=O ZINC000886603060 1138101101 /nfs/dbraw/zinc/10/11/01/1138101101.db2.gz GHBSHRDMCPEMSQ-LBPRGKRZSA-N -1 3 329.375 3.542 20 10 EHCDHM Cc1cc(N(C)C)ccc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000822206007 945990078 /nfs/dbraw/zinc/99/00/78/945990078.db2.gz QRQDDIIFQORRST-UHFFFAOYSA-N -1 3 342.834 3.507 20 10 EHCDHM Cc1cc(N(C)C)ccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000822206007 945990084 /nfs/dbraw/zinc/99/00/84/945990084.db2.gz QRQDDIIFQORRST-UHFFFAOYSA-N -1 3 342.834 3.507 20 10 EHCDHM C[C@H]([NH2+]CCCSc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593267200 994587422 /nfs/dbraw/zinc/58/74/22/994587422.db2.gz MVOPGAHQFRTMOW-ZDUSSCGKSA-N -1 3 331.437 3.923 20 10 EHCDHM COc1ccc(C(C)(C)C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599506820 997223719 /nfs/dbraw/zinc/22/37/19/997223719.db2.gz WLZZHIOMMNOEMJ-CYBMUJFWSA-N -1 3 343.423 3.727 20 10 EHCDHM C[C@H](N[C@H](c1nccn1C)c1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000184960015 1032347686 /nfs/dbraw/zinc/34/76/86/1032347686.db2.gz SYTSDRNKVRGCSC-SGTLLEGYSA-N -1 3 343.377 3.844 20 10 EHCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@]2(CC2(F)F)C1 ZINC000895149438 1025128434 /nfs/dbraw/zinc/12/84/34/1025128434.db2.gz HBVIPBJMTZOWSR-LBPRGKRZSA-N -1 3 336.151 3.525 20 10 EHCDHM Cc1nc(C2(NCc3c([O-])ccc4ccncc43)CCCCC2)no1 ZINC000729849459 1030783515 /nfs/dbraw/zinc/78/35/15/1030783515.db2.gz KPQDFEVWCHLXNA-UHFFFAOYSA-N -1 3 338.411 3.581 20 10 EHCDHM Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])nc2nc[nH]c21 ZINC001168528544 1126919676 /nfs/dbraw/zinc/91/96/76/1126919676.db2.gz VBGNHVSWNBZANS-UHFFFAOYSA-N -1 3 339.786 3.786 20 10 EHCDHM CCc1ncc(F)c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168522386 1122392747 /nfs/dbraw/zinc/39/27/47/1122392747.db2.gz QABRRYYFVBFTDY-UHFFFAOYSA-N -1 3 332.766 3.697 20 10 EHCDHM COc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])cc1C ZINC001168523073 1122548025 /nfs/dbraw/zinc/54/80/25/1122548025.db2.gz YWENONKNDUADBH-UHFFFAOYSA-N -1 3 329.787 3.918 20 10 EHCDHM CC(=O)c1cc(F)cc(CN(Cc2ccco2)C[C@@H]2CCCO2)c1[O-] ZINC000175596289 1123724120 /nfs/dbraw/zinc/72/41/20/1123724120.db2.gz LFHXJHKWKVDJDR-KRWDZBQOSA-N -1 3 347.386 3.508 20 10 EHCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2nccc3c2CCCC3)c1[O-] ZINC000922467191 1129542853 /nfs/dbraw/zinc/54/28/53/1129542853.db2.gz QZZMBKHKOLMXNE-UHFFFAOYSA-N -1 3 347.802 3.517 20 10 EHCDHM COC[C@@H](C)N(Cc1cccc(OC)c1)Cc1c([O-])cccc1F ZINC001137839162 1130566726 /nfs/dbraw/zinc/56/67/26/1130566726.db2.gz UIRTZRVDYCIMCZ-CQSZACIVSA-N -1 3 333.403 3.577 20 10 EHCDHM COc1ccc2c(c1)CN(Cc1cc(Br)ccc1[O-])CC2 ZINC000769121126 1133230060 /nfs/dbraw/zinc/23/00/60/1133230060.db2.gz QLHHNVJMUZIDAN-UHFFFAOYSA-N -1 3 348.240 3.722 20 10 EHCDHM COC(=O)CN(Cc1sccc1C)Cc1cc(Cl)ccc1[O-] ZINC000769381722 1133272846 /nfs/dbraw/zinc/27/28/46/1133272846.db2.gz RMLZCKSYIRAPGE-UHFFFAOYSA-N -1 3 339.844 3.591 20 10 EHCDHM CCS[C@H](C)c1noc(CN(C)Cc2c([O-])cccc2Cl)n1 ZINC000770356011 1133420160 /nfs/dbraw/zinc/42/01/60/1133420160.db2.gz QCMHXFDBTCABHZ-SNVBAGLBSA-N -1 3 341.864 3.875 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC2(C[C@@H](F)CO2)CC1 ZINC001203581883 1133889270 /nfs/dbraw/zinc/88/92/70/1133889270.db2.gz CBKCORLLJVVTQN-GFCCVEGCSA-N -1 3 334.218 3.792 20 10 EHCDHM O=C(Nc1nc(-c2ccccc2F)cs1)c1cccc(O)c1[O-] ZINC000788649210 1134151255 /nfs/dbraw/zinc/15/12/55/1134151255.db2.gz RXHFIFOUIMLOIJ-UHFFFAOYSA-N -1 3 330.340 3.613 20 10 EHCDHM Cc1cc(O)ccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001186195191 1134179653 /nfs/dbraw/zinc/17/96/53/1134179653.db2.gz MGKWIBIAGOATSV-UHFFFAOYSA-N -1 3 342.782 3.538 20 10 EHCDHM [O-]c1ccc(Cl)cc1CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001203664809 1134360445 /nfs/dbraw/zinc/36/04/45/1134360445.db2.gz WYZQRXQDIGSWSE-ZDUSSCGKSA-N -1 3 331.725 3.902 20 10 EHCDHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000790522756 1134430742 /nfs/dbraw/zinc/43/07/42/1134430742.db2.gz IFNOMTBHXOOVHC-JTQLQIEISA-N -1 3 339.313 3.950 20 10 EHCDHM CC1CCN(c2cccc(NC(=O)c3cccc(O)c3[O-])c2)CC1 ZINC000790766267 1134458861 /nfs/dbraw/zinc/45/88/61/1134458861.db2.gz COZMDRVANRIRGR-UHFFFAOYSA-N -1 3 326.396 3.586 20 10 EHCDHM O=C(CNCc1c([O-])ccc(Cl)c1F)Nc1ccc(Cl)cc1 ZINC000790954453 1134484782 /nfs/dbraw/zinc/48/47/82/1134484782.db2.gz SMBUKTSOYDWELW-UHFFFAOYSA-N -1 3 343.185 3.566 20 10 EHCDHM O=C(NCCCSc1nccs1)c1cc([O-])c2ccccc2c1 ZINC000792166817 1134661815 /nfs/dbraw/zinc/66/18/15/1134661815.db2.gz XQTVGWNRCRYRIH-UHFFFAOYSA-N -1 3 344.461 3.914 20 10 EHCDHM Cc1cc(N(C)C)ccc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000792179201 1134664637 /nfs/dbraw/zinc/66/46/37/1134664637.db2.gz RTQDSQHKUIXVPX-UHFFFAOYSA-N -1 3 334.419 3.850 20 10 EHCDHM O=C(Nc1ccc(C(=O)C2CC2)cc1)c1ccc([O-])c(O)c1Cl ZINC001193230246 1135120220 /nfs/dbraw/zinc/12/02/20/1135120220.db2.gz RZYLZHISEJAQAV-UHFFFAOYSA-N -1 3 331.755 3.596 20 10 EHCDHM CN(Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)cc(F)c1[O-] ZINC000775641852 1135381336 /nfs/dbraw/zinc/38/13/36/1135381336.db2.gz CPZHONUUNCBSQT-UHFFFAOYSA-N -1 3 337.778 3.588 20 10 EHCDHM CC[C@@H](N[C@@H](CO)c1ccccc1OC)c1cccc(Cl)c1[O-] ZINC000806145374 1135400900 /nfs/dbraw/zinc/40/09/00/1135400900.db2.gz BADDUMYFIOPKTR-CVEARBPZSA-N -1 3 335.831 3.829 20 10 EHCDHM CC[C@H](NCc1cc(C(N)=O)co1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806159665 1135404007 /nfs/dbraw/zinc/40/40/07/1135404007.db2.gz BCZDBUPPUHZPDX-ZDUSSCGKSA-N -1 3 343.210 3.632 20 10 EHCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC001198685313 1135847194 /nfs/dbraw/zinc/84/71/94/1135847194.db2.gz IVEITPHYZNVYJI-IRXDYDNUSA-N -1 3 337.847 3.782 20 10 EHCDHM [O-]c1c(Br)cccc1CN1CCOCC2(CCCC2)C1 ZINC000776015385 1135921315 /nfs/dbraw/zinc/92/13/15/1135921315.db2.gz BUFPRQJIBSKDQV-UHFFFAOYSA-N -1 3 340.261 3.547 20 10 EHCDHM Cc1cc(Br)c([O-])c(CN2CCC(F)(F)[C@@H](C)C2)c1 ZINC000811511568 1136103353 /nfs/dbraw/zinc/10/33/53/1136103353.db2.gz 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ZINC000768877719 1133195116 /nfs/dbraw/zinc/19/51/16/1133195116.db2.gz KHGGGKXCEBJOQE-ZDUSSCGKSA-N -1 3 337.217 3.788 20 10 EHCDHM Cc1ccc(C(=O)Nc2cc(-c3ccco3)nn2C(C)C)c([O-])c1O ZINC000790345747 1134402352 /nfs/dbraw/zinc/40/23/52/1134402352.db2.gz CFBBSRWCYSAZAK-UHFFFAOYSA-N -1 3 341.367 3.696 20 10 EHCDHM CC(C)(C)Oc1c(F)cc(NC(=O)c2cccc(O)c2[O-])cc1F ZINC000790926729 1134478753 /nfs/dbraw/zinc/47/87/53/1134478753.db2.gz PVKBXRTVISTJGP-UHFFFAOYSA-N -1 3 337.322 3.806 20 10 EHCDHM COc1c([O-])c(CN(C)Cc2ccccc2SC)ccc1[N+](=O)[O-] ZINC000793232219 1134880010 /nfs/dbraw/zinc/88/00/10/1134880010.db2.gz KMTOFISCECDKAV-UHFFFAOYSA-N -1 3 348.424 3.663 20 10 EHCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000775738099 1135600763 /nfs/dbraw/zinc/60/07/63/1135600763.db2.gz SCIJXYYVPFKQEH-UKRRQHHQSA-N -1 3 339.794 3.866 20 10 EHCDHM [O-]c1c(Cl)cc(Cl)cc1CNc1cnccc1-n1cccn1 ZINC000809632720 1135863016 /nfs/dbraw/zinc/86/30/16/1135863016.db2.gz UMYUNIGUNJIRMD-UHFFFAOYSA-N -1 3 335.194 3.892 20 10 EHCDHM CC(C)NC(=O)OC[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000809720592 1135878450 /nfs/dbraw/zinc/87/84/50/1135878450.db2.gz JDVIFDRCIJBHGB-AWEZNQCLSA-N -1 3 340.851 3.535 20 10 EHCDHM [O-]c1c(Br)cccc1CN(Cc1cccnc1)C1CC1 ZINC000809764214 1135888449 /nfs/dbraw/zinc/88/84/49/1135888449.db2.gz UQFGNRAKTCURIG-UHFFFAOYSA-N -1 3 333.229 3.714 20 10 EHCDHM Cc1cc([O-])c(CNCc2nc(C)c3ccccc3n2)c(Cl)c1 ZINC001199991189 1135943552 /nfs/dbraw/zinc/94/35/52/1135943552.db2.gz SVAFPIZNEFZZEW-UHFFFAOYSA-N -1 3 327.815 3.895 20 10 EHCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(C(F)(F)F)c1 ZINC000776318244 1136153221 /nfs/dbraw/zinc/15/32/21/1136153221.db2.gz ROQZCYUOLNZPFL-VIFPVBQESA-N -1 3 325.286 3.608 20 10 EHCDHM C[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000850499464 1136272111 /nfs/dbraw/zinc/27/21/11/1136272111.db2.gz QDJWGDFFTZCXJE-YVZVNANGSA-N -1 3 327.215 3.647 20 10 EHCDHM C[C@@H](NCc1cnccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000853243035 1136521520 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[O-]c1cccc(Br)c1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000862237509 1137134115 /nfs/dbraw/zinc/13/41/15/1137134115.db2.gz RBAHTSCBCOLPTK-CYBMUJFWSA-N -1 3 336.233 3.605 20 10 EHCDHM COc1cccc2c1CN(Cc1ccc(Br)cc1[O-])C2 ZINC000862530084 1137148198 /nfs/dbraw/zinc/14/81/98/1137148198.db2.gz VGNONCVOIOXNPQ-UHFFFAOYSA-N -1 3 334.213 3.679 20 10 EHCDHM C[C@@H](N[C@@H](Cc1ccccc1)c1nccn1C)c1ccc(F)cc1[O-] ZINC000846207396 1137339247 /nfs/dbraw/zinc/33/92/47/1137339247.db2.gz NVDPXKJOOHANDC-KDOFPFPSSA-N -1 3 339.414 3.899 20 10 EHCDHM C[C@@H](N[C@H](Cc1ccccc1)c1nccn1C)c1ccc(F)cc1[O-] ZINC000846207398 1137339364 /nfs/dbraw/zinc/33/93/64/1137339364.db2.gz NVDPXKJOOHANDC-RDTXWAMCSA-N -1 3 339.414 3.899 20 10 EHCDHM C[C@@H](Nc1ccc(CCNC(=O)N(C)C)cc1)c1ccc(F)cc1[O-] ZINC000866460049 1137356729 /nfs/dbraw/zinc/35/67/29/1137356729.db2.gz RNYIYLSIYSVSFY-CYBMUJFWSA-N -1 3 345.418 3.518 20 10 EHCDHM O=C(NCC1(c2cccs2)CCCCC1)c1cccc(O)c1[O-] ZINC001147471134 1137407059 /nfs/dbraw/zinc/40/70/59/1137407059.db2.gz OXLXDTIWFBRLOE-UHFFFAOYSA-N -1 3 331.437 3.791 20 10 EHCDHM O=C1C[C@@]2(CCN(Cc3cccc(Cl)c3[O-])C2)Oc2ccccc21 ZINC000877589211 1137682286 /nfs/dbraw/zinc/68/22/86/1137682286.db2.gz JIGGDCOOTOOOTH-LJQANCHMSA-N -1 3 343.810 3.656 20 10 EHCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000877673764 1137685403 /nfs/dbraw/zinc/68/54/03/1137685403.db2.gz RECFUFAJWAVDNX-WMLDXEAASA-N -1 3 335.806 3.883 20 10 EHCDHM CC(=O)c1cc(F)cc(CN2CCC(Cc3nccs3)CC2)c1[O-] ZINC000879205767 1137741155 /nfs/dbraw/zinc/74/11/55/1137741155.db2.gz SJNJVEJYLZYFEE-UHFFFAOYSA-N -1 3 348.443 3.645 20 10 EHCDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])c1nc(C(F)(F)F)cs1 ZINC000883105395 1137844757 /nfs/dbraw/zinc/84/47/57/1137844757.db2.gz ITXYUKBWQUKAIK-ZCFIWIBFSA-N -1 3 338.301 3.997 20 10 EHCDHM [O-]c1c(F)cc(F)cc1CN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000883193609 1137848107 /nfs/dbraw/zinc/84/81/07/1137848107.db2.gz ZXTQEAIUBYGOTO-OAHLLOKOSA-N -1 3 345.748 3.676 20 10 EHCDHM C[C@H](Nc1cccc([C@]2(C)COC(=O)N2)c1)c1ccc(F)cc1[O-] ZINC000883329640 1137855329 /nfs/dbraw/zinc/85/53/29/1137855329.db2.gz OSZFOXXKQUBEQR-VOJFVSQTSA-N -1 3 330.359 3.659 20 10 EHCDHM CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886568551 1138098240 /nfs/dbraw/zinc/09/82/40/1138098240.db2.gz NHERXYCZEHFOQJ-RYUDHWBXSA-N -1 3 332.375 3.678 20 10 EHCDHM C/C(=C/C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000833382234 605076835 /nfs/dbraw/zinc/07/68/35/605076835.db2.gz IANFDQJBKANCNS-IRVMHKCDSA-N -1 3 325.408 3.986 20 10 EHCDHM C/C(=C/C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000833382234 605076841 /nfs/dbraw/zinc/07/68/41/605076841.db2.gz IANFDQJBKANCNS-IRVMHKCDSA-N -1 3 325.408 3.986 20 10 EHCDHM